smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CCN1C[C@H](C(=O)N2CCC(c3ccccc3)CC2)CCC1=O ZINC000012092401 539542941 /nfs/dbraw/zinc/54/29/41/539542941.db2.gz KMLJTYOEBOCXCZ-LJQANCHMSA-N 0 3 357.498 2.193 10 0 FEAEHN O=c1cc(C2CC[NH2+]CC2)nc(-c2ccc(CN3CCSCC3)cc2)[n-]1 ZINC000023581855 539716267 /nfs/dbraw/zinc/71/62/67/539716267.db2.gz AZZQPZVDPUCTCH-UHFFFAOYSA-N 0 3 370.522 2.453 10 0 FEAEHN C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccccc1)c1nnc2ccccn21 ZINC000045185232 540206127 /nfs/dbraw/zinc/20/61/27/540206127.db2.gz HVOBLXQEZXDROL-HOCLYGCPSA-N 0 3 352.442 2.392 10 0 FEAEHN C[C@H](NC(=O)NC[C@H](O)CN1CCCCC1)c1ccc(OC(F)F)cc1 ZINC000049174761 540384369 /nfs/dbraw/zinc/38/43/69/540384369.db2.gz MAQNAJOPQZNIGU-ZFWWWQNUSA-N 0 3 371.428 2.495 10 0 FEAEHN CN(C)C[C@H](NC(=O)NCCC(=O)NC1CCCCC1)c1ccccc1 ZINC000057178203 540776731 /nfs/dbraw/zinc/77/67/31/540776731.db2.gz NBIJPJQFCCDCPO-SFHVURJKSA-N 0 3 360.502 2.428 10 0 FEAEHN C[C@@H](CNC(=O)NC[C@H]1CCCCN1Cc1ccccc1)N1CCOCC1 ZINC000067734290 541507056 /nfs/dbraw/zinc/50/70/56/541507056.db2.gz JNYFTLBAKWTYMY-AZUAARDMSA-N 0 3 374.529 2.061 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000068223287 541565934 /nfs/dbraw/zinc/56/59/34/541565934.db2.gz XUENYNSDZVTLPB-CQSZACIVSA-N 0 3 370.453 2.235 10 0 FEAEHN CCN(C[C@H](O)COC(C)C)C[C@H]1CC(c2ccc(OC)cc2)=NO1 ZINC000036146193 205007396 /nfs/dbraw/zinc/00/73/96/205007396.db2.gz QPSWYYRIHKXDNZ-FUHWJXTLSA-N 0 3 350.459 2.296 10 0 FEAEHN COc1ccc2cc(CN3CCC4(CC3)C(=O)NCCN4C)ccc2c1 ZINC000067790146 205392669 /nfs/dbraw/zinc/39/26/69/205392669.db2.gz DAPGALSWZKRVHX-UHFFFAOYSA-N 0 3 353.466 2.245 10 0 FEAEHN Cc1ccc(C)c2c(=O)cc(CN3CCC4(CC3)CC(=O)NC(=O)C4)[nH]c12 ZINC000091818269 205695090 /nfs/dbraw/zinc/69/50/90/205695090.db2.gz KKOFZRFKQXJGEQ-UHFFFAOYSA-N 0 3 367.449 2.164 10 0 FEAEHN CCN[C@@H](Cc1ccc(OC)c(Br)c1)CS(C)(=O)=O ZINC000052789135 206221831 /nfs/dbraw/zinc/22/18/31/206221831.db2.gz LGPRBBLZUCMYCN-NSHDSACASA-N 0 3 350.278 2.023 10 0 FEAEHN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C[C@H](O)COC(C)(C)C)C1 ZINC000075862523 542211493 /nfs/dbraw/zinc/21/14/93/542211493.db2.gz UFOWGEYNDIJWBY-KBPBESRZSA-N 0 3 368.440 2.285 10 0 FEAEHN COc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CCCN1CC(C)C ZINC000092333084 542857654 /nfs/dbraw/zinc/85/76/54/542857654.db2.gz JNUMZTVFSSXKBQ-CQSZACIVSA-N 0 3 351.422 2.009 10 0 FEAEHN CN(C)C[C@@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000096965404 543000619 /nfs/dbraw/zinc/00/06/19/543000619.db2.gz DYRZPSBBMOVFJX-QGZVFWFLSA-N 0 3 359.857 2.489 10 0 FEAEHN Cc1nc(C[C@@H]2CCCN(CCC(=O)Nc3ccc4c(c3)OCO4)C2)no1 ZINC000101587055 543035625 /nfs/dbraw/zinc/03/56/25/543035625.db2.gz YGCZRXMPCTYRLA-AWEZNQCLSA-N 0 3 372.425 2.390 10 0 FEAEHN CC[C@@H]1CN(CCCc2nc(-c3ccccc3)no2)CCN1C[C@@H](C)O ZINC000106103519 543197118 /nfs/dbraw/zinc/19/71/18/543197118.db2.gz CIYOFTJWPOMVLE-SJLPKXTDSA-N 0 3 358.486 2.446 10 0 FEAEHN C[C@H](C(=O)N1CCCCCC1)N(C)C1CCN(CCn2cccn2)CC1 ZINC000106129769 543205978 /nfs/dbraw/zinc/20/59/78/543205978.db2.gz BQEBYAWXXRJKLA-GOSISDBHSA-N 0 3 361.534 2.070 10 0 FEAEHN Cn1cc(CN2CCCN(Cc3ccc(-n4ccnc4)cc3)CC2)cn1 ZINC000106155966 543210006 /nfs/dbraw/zinc/21/00/06/543210006.db2.gz VOGBDEVMDKQAPS-UHFFFAOYSA-N 0 3 350.470 2.314 10 0 FEAEHN CC[C@H]1CN(C[C@H](O)COc2cc(C)ccc2C)CCN1CCOC ZINC000106113018 543200611 /nfs/dbraw/zinc/20/06/11/543200611.db2.gz ZYVHQQWWWVCAQW-OALUTQOASA-N 0 3 350.503 2.086 10 0 FEAEHN C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000106175377 543212805 /nfs/dbraw/zinc/21/28/05/543212805.db2.gz PITVGYIZAZGJKK-WBVHZDCISA-N 0 3 359.449 2.176 10 0 FEAEHN CC(C)n1ccnc1CS(=O)(=O)C(C)C(=O)N(C)Cc1ccccc1 ZINC000107075677 543261025 /nfs/dbraw/zinc/26/10/25/543261025.db2.gz SVOMRDPQRQRIFZ-HNNXBMFYSA-N 0 3 363.483 2.426 10 0 FEAEHN CC(C)n1ccnc1CS(=O)(=O)C(C)C(=O)N(C)Cc1ccccc1 ZINC000107075681 543261259 /nfs/dbraw/zinc/26/12/59/543261259.db2.gz SVOMRDPQRQRIFZ-OAHLLOKOSA-N 0 3 363.483 2.426 10 0 FEAEHN CN(C(=O)c1cc(F)cc2nc[nH]c21)C1CCN(CCn2cccn2)CC1 ZINC000109293303 543320602 /nfs/dbraw/zinc/32/06/02/543320602.db2.gz MYSCTZCFIWGANK-UHFFFAOYSA-N 0 3 370.432 2.135 10 0 FEAEHN Cc1cnn(CCN[C@@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)c1 ZINC000112552296 543452099 /nfs/dbraw/zinc/45/20/99/543452099.db2.gz RTCVTEPEEZCQFA-HNNXBMFYSA-N 0 3 364.877 2.360 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000114589100 543525372 /nfs/dbraw/zinc/52/53/72/543525372.db2.gz PREHOBCKOFTLRJ-ZDUSSCGKSA-N 0 3 370.435 2.190 10 0 FEAEHN CC(C)N1CC[C@H](NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1=O ZINC000114787237 543536606 /nfs/dbraw/zinc/53/66/06/543536606.db2.gz RAULWLCMJQGTKZ-OALUTQOASA-N 0 3 372.513 2.350 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)CCCCCNC(=O)NC2CCCCC2)C1 ZINC000115361925 543562138 /nfs/dbraw/zinc/56/21/38/543562138.db2.gz BLNHJMBQKRAITN-KRWDZBQOSA-N 0 3 352.523 2.341 10 0 FEAEHN CCOCCN1CCN(C(=O)c2cccc(CN3CCCC3)c2)C[C@@H]1C ZINC000117283509 543627351 /nfs/dbraw/zinc/62/73/51/543627351.db2.gz VTONGSTXYLNDPR-SFHVURJKSA-N 0 3 359.514 2.465 10 0 FEAEHN COCCN1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C[C@H]1C ZINC000117468488 543632391 /nfs/dbraw/zinc/63/23/91/543632391.db2.gz RZKAKYWYWNORFU-QUCCMNQESA-N 0 3 374.529 2.186 10 0 FEAEHN C[C@H](C(=O)N1C[C@H]2CCCN2C[C@@H]1C)N1CCN(c2ccc(F)cc2)CC1 ZINC000117805092 543640667 /nfs/dbraw/zinc/64/06/67/543640667.db2.gz ZCBPCIULDNUTTR-SQGPQFPESA-N 0 3 374.504 2.031 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)CCO1 ZINC000118814668 543659594 /nfs/dbraw/zinc/65/95/94/543659594.db2.gz NRWCBXVCMKEWKV-KRWDZBQOSA-N 0 3 372.425 2.326 10 0 FEAEHN CNC(=O)C(C)(C)CNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000125607677 543891369 /nfs/dbraw/zinc/89/13/69/543891369.db2.gz FDEGDFPHDBTUCY-KRWDZBQOSA-N 0 3 360.502 2.113 10 0 FEAEHN COc1cc(CN2CCO[C@H](CN(C)C)C2)ccc1OCc1ccncc1 ZINC000128058832 544030083 /nfs/dbraw/zinc/03/00/83/544030083.db2.gz RTHGUTWATKEAFN-LJQANCHMSA-N 0 3 371.481 2.432 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc2cnccc21 ZINC000129553213 544118332 /nfs/dbraw/zinc/11/83/32/544118332.db2.gz BPUVKWVGJAXEPR-MRXNPFEDSA-N 0 3 354.454 2.410 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2ncccc2c1 ZINC000129442388 544112935 /nfs/dbraw/zinc/11/29/35/544112935.db2.gz ITRUXXCJRXJIAG-QGZVFWFLSA-N 0 3 354.454 2.410 10 0 FEAEHN CCN1CCC[C@H](NC(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)C1 ZINC000133021345 544252734 /nfs/dbraw/zinc/25/27/34/544252734.db2.gz MXMFYBMSUDXQIE-IRXDYDNUSA-N 0 3 352.523 2.055 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000150784771 544470251 /nfs/dbraw/zinc/47/02/51/544470251.db2.gz MRNIEEYMQZLOIZ-RISCZKNCSA-N 0 3 368.275 2.233 10 0 FEAEHN COc1ccc2cc(NC(=O)C(=O)N[C@H]3CN(C(C)C)C[C@@H]3C)ccc2n1 ZINC000150781137 544470337 /nfs/dbraw/zinc/47/03/37/544470337.db2.gz ZHDSPIWXYQTVAB-GUYCJALGSA-N 0 3 370.453 2.027 10 0 FEAEHN CCOc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1F ZINC000150787026 544472002 /nfs/dbraw/zinc/47/20/02/544472002.db2.gz HPTNZDYHQIWTCC-WFASDCNBSA-N 0 3 351.422 2.008 10 0 FEAEHN CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000151643479 544565297 /nfs/dbraw/zinc/56/52/97/544565297.db2.gz BABCAWNCWCIHRV-LBPRGKRZSA-N 0 3 356.264 2.438 10 0 FEAEHN CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000151643479 544565302 /nfs/dbraw/zinc/56/53/02/544565302.db2.gz BABCAWNCWCIHRV-LBPRGKRZSA-N 0 3 356.264 2.438 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](N[C@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000151848463 544587312 /nfs/dbraw/zinc/58/73/12/544587312.db2.gz JWZZIKINUBRAFX-UGFHNGPFSA-N 0 3 354.292 2.294 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)C1 ZINC000152013165 544605719 /nfs/dbraw/zinc/60/57/19/544605719.db2.gz QRPKZMMWDLDEFL-INIZCTEOSA-N 0 3 358.417 2.204 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)C1 ZINC000152013092 544606300 /nfs/dbraw/zinc/60/63/00/544606300.db2.gz QRPKZMMWDLDEFL-MRXNPFEDSA-N 0 3 358.417 2.204 10 0 FEAEHN CN(C)C[C@@H]1CN(Cc2cc(Br)cc3c2OCC3)CCO1 ZINC000153685941 544809476 /nfs/dbraw/zinc/80/94/76/544809476.db2.gz CFIJLVKHYXZQSS-OAHLLOKOSA-N 0 3 355.276 2.146 10 0 FEAEHN CN(C[C@@H]1CCN(C)C1)S(=O)(=O)c1ccc(Br)cc1F ZINC000154527910 544917776 /nfs/dbraw/zinc/91/77/76/544917776.db2.gz NBNZUXAEPBJFJO-SNVBAGLBSA-N 0 3 365.268 2.160 10 0 FEAEHN CN(C)CCOc1cc(CNC(=O)N[C@H]2CCOc3ccccc32)ccn1 ZINC000179319304 327636506 /nfs/dbraw/zinc/63/65/06/327636506.db2.gz IPNKDAXKTJWPJZ-KRWDZBQOSA-N 0 3 370.453 2.345 10 0 FEAEHN COCCn1ccc2ccc(NC(=O)NC[C@@H](O)CN3CCCCC3)cc21 ZINC000179440421 327643497 /nfs/dbraw/zinc/64/34/97/327643497.db2.gz ZEUKVDRVEJJOAZ-GOSISDBHSA-N 0 3 374.485 2.256 10 0 FEAEHN Cc1cc(C(=O)N2CCO[C@H](CN(C)C)C2)nn1-c1cc(C)cc(C)c1 ZINC000180421041 327685583 /nfs/dbraw/zinc/68/55/83/327685583.db2.gz CRBQIRZDRJFUIS-GOSISDBHSA-N 0 3 356.470 2.200 10 0 FEAEHN CC(C)CNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000180672453 327696714 /nfs/dbraw/zinc/69/67/14/327696714.db2.gz ZISVTTCGWZTMHZ-HUUCEWRRSA-N 0 3 357.458 2.393 10 0 FEAEHN CCCN(CC(=O)Nc1ccccc1C)C(=O)CN[C@@H](C)[C@@H]1CCCO1 ZINC000183191140 327806377 /nfs/dbraw/zinc/80/63/77/327806377.db2.gz QDLWPQGCFIVDFZ-WMZOPIPTSA-N 0 3 361.486 2.329 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2cnc(Cc3ccccc3F)s2)CCO1 ZINC000185439316 327916607 /nfs/dbraw/zinc/91/66/07/327916607.db2.gz FQRLCJUVCRLKIH-CQSZACIVSA-N 0 3 363.458 2.276 10 0 FEAEHN CSCc1cccc(CNC(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000187409273 328023421 /nfs/dbraw/zinc/02/34/21/328023421.db2.gz ZQXLDFLSKOQBKL-QGZVFWFLSA-N 0 3 351.516 2.196 10 0 FEAEHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCO1 ZINC000187968812 328057256 /nfs/dbraw/zinc/05/72/56/328057256.db2.gz FAWRJDGVNAAAQW-VIFPVBQESA-N 0 3 371.261 2.084 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000187932800 328054910 /nfs/dbraw/zinc/05/49/10/328054910.db2.gz ZXJUTAFHACDQPB-GFCCVEGCSA-N 0 3 363.767 2.460 10 0 FEAEHN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000188036106 328061879 /nfs/dbraw/zinc/06/18/79/328061879.db2.gz LAGCHRQVIWDVOF-SWLSCSKDSA-N 0 3 360.376 2.262 10 0 FEAEHN Cc1cc(C)c(N2CC[C@@H](NC(=O)N3CC[C@@H](N(C)C)C3)C2=O)c(C)c1 ZINC000188520096 328092334 /nfs/dbraw/zinc/09/23/34/328092334.db2.gz JUEKNUJSAZOGHL-IAGOWNOFSA-N 0 3 358.486 2.063 10 0 FEAEHN CC[C@H](C)[C@@H](NC(=O)CN[C@@H](C)c1cccc(-n2ccnc2)c1)C(=O)OC ZINC000189904109 328175181 /nfs/dbraw/zinc/17/51/81/328175181.db2.gz HTJSVQGVPJLUDP-YZVOILCLSA-N 0 3 372.469 2.227 10 0 FEAEHN CN(C)Cc1cccc(NC(=O)C(=O)N2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000190145219 328190840 /nfs/dbraw/zinc/19/08/40/328190840.db2.gz VCVXAZMGDHECDC-KRWDZBQOSA-N 0 3 355.442 2.164 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cnc(Cl)c(C)c1 ZINC000190337225 328201017 /nfs/dbraw/zinc/20/10/17/328201017.db2.gz HIUBNLQXTUHQGW-UONOGXRCSA-N 0 3 350.850 2.067 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc2ncsc2c1 ZINC000190348345 328201715 /nfs/dbraw/zinc/20/17/15/328201715.db2.gz YJMHATVDSCYGMD-ZIAGYGMSSA-N 0 3 358.467 2.320 10 0 FEAEHN COc1cccc(OCC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190578516 328217444 /nfs/dbraw/zinc/21/74/44/328217444.db2.gz PRXCJNABJSMQFM-GOSISDBHSA-N 0 3 369.465 2.450 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)COc2ccccc2O)C1 ZINC000190599644 328218783 /nfs/dbraw/zinc/21/87/83/328218783.db2.gz JTJGSBXXABYNPT-QGZVFWFLSA-N 0 3 355.438 2.147 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)Cc2cn3ccccc3n2)C1 ZINC000190601875 328218980 /nfs/dbraw/zinc/21/89/80/328218980.db2.gz SVMLPCDRXFRAGX-GOSISDBHSA-N 0 3 363.465 2.252 10 0 FEAEHN CC(C)[C@H](C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1)N1CCCC1=O ZINC000190616594 328219778 /nfs/dbraw/zinc/21/97/78/328219778.db2.gz KRRODLBZKROPPH-UYAOXDASSA-N 0 3 372.513 2.009 10 0 FEAEHN Cc1cc(CNC(=O)N2CC[C@@H](CN(C)Cc3scnc3C)C2)on1 ZINC000190703238 328226119 /nfs/dbraw/zinc/22/61/19/328226119.db2.gz RFCIVTGSQDEWRD-AWEZNQCLSA-N 0 3 363.487 2.411 10 0 FEAEHN Cc1nn(C)cc1[C@H](C)NC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190715654 328226986 /nfs/dbraw/zinc/22/69/86/328226986.db2.gz KXDLVNABNUCYGE-MAUKXSAKSA-N 0 3 370.501 2.348 10 0 FEAEHN Cc1cc(C[C@H](C)NC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)[nH]n1 ZINC000190728548 328228275 /nfs/dbraw/zinc/22/82/75/328228275.db2.gz OTRMYYHULPDCDD-MAUKXSAKSA-N 0 3 370.501 2.208 10 0 FEAEHN Cc1cnn(CCN[C@@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC000191680139 328277010 /nfs/dbraw/zinc/27/70/10/328277010.db2.gz AGELETRIRWXXPW-OAHLLOKOSA-N 0 3 363.259 2.349 10 0 FEAEHN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NCC(=O)Nc1nccs1 ZINC000191913395 328288333 /nfs/dbraw/zinc/28/83/33/328288333.db2.gz SSZONNAYUIIMEP-RYUDHWBXSA-N 0 3 354.476 2.365 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000192007186 328293635 /nfs/dbraw/zinc/29/36/35/328293635.db2.gz RVFPYMAAUGEXFX-VIFPVBQESA-N 0 3 374.666 2.204 10 0 FEAEHN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCO[C@H](CN(C)C)C1 ZINC000192010206 328293816 /nfs/dbraw/zinc/29/38/16/328293816.db2.gz FPDZLYUODAJONH-DOMZBBRYSA-N 0 3 361.269 2.470 10 0 FEAEHN C[C@H](NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCCO1 ZINC000192317496 328312955 /nfs/dbraw/zinc/31/29/55/328312955.db2.gz QTEFXYMDOUPXQZ-UHOSZYNNSA-N 0 3 361.486 2.144 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000192937698 328347709 /nfs/dbraw/zinc/34/77/09/328347709.db2.gz UYEQMRHHNGBPMU-INIZCTEOSA-N 0 3 363.458 2.363 10 0 FEAEHN CNCC(=O)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000193133487 328358893 /nfs/dbraw/zinc/35/88/93/328358893.db2.gz LWAIIFVVEVQBKI-UHFFFAOYSA-N 0 3 367.493 2.156 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Cl)nc1C ZINC000193415291 328373847 /nfs/dbraw/zinc/37/38/47/328373847.db2.gz OFQJWOAZEMJSEI-QWHCGFSZSA-N 0 3 350.850 2.067 10 0 FEAEHN O=S(=O)(N[C@H]1CNCC[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000193441836 328375763 /nfs/dbraw/zinc/37/57/63/328375763.db2.gz UXOSXISLBCOXBE-PBHICJAKSA-N 0 3 352.406 2.389 10 0 FEAEHN O=C(NC[C@@H](O)CN1CCCCC1)Nc1cccc(N2CCCCC2=O)c1 ZINC000044304406 324558053 /nfs/dbraw/zinc/55/80/53/324558053.db2.gz VIGVBPUQIUQEFX-GOSISDBHSA-N 0 3 374.485 2.172 10 0 FEAEHN Cc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000228129698 328485013 /nfs/dbraw/zinc/48/50/13/328485013.db2.gz SHQLYTWZMVGMTE-YPMHNXCESA-N 0 3 361.305 2.328 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000237042159 328502521 /nfs/dbraw/zinc/50/25/21/328502521.db2.gz DKDNCXLWPGLGHS-SCLBCKFNSA-N 0 3 363.477 2.362 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000077730241 325009326 /nfs/dbraw/zinc/00/93/26/325009326.db2.gz LOHJKJVSYCJKAE-QGZVFWFLSA-N 0 3 359.470 2.042 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)NC[C@@H](C)N1CCOCC1)c1ccccc1 ZINC000078545500 325051382 /nfs/dbraw/zinc/05/13/82/325051382.db2.gz PQNMBTKMDGJVPE-IEBWSBKVSA-N 0 3 362.518 2.089 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000079013647 325072253 /nfs/dbraw/zinc/07/22/53/325072253.db2.gz PYWHIGCKAWCWQI-HOCLYGCPSA-N 0 3 369.531 2.427 10 0 FEAEHN C[C@@H](CC(=O)NC[C@@H](N)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000237456742 328516765 /nfs/dbraw/zinc/51/67/65/328516765.db2.gz MVECGRJJJYPONJ-SUMWQHHRSA-N 0 3 364.442 2.194 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000081292966 325168667 /nfs/dbraw/zinc/16/86/67/325168667.db2.gz MZIVUFCLEHKAAS-IBGZPJMESA-N 0 3 360.546 2.291 10 0 FEAEHN CNC(=O)COc1ccc(NC(=O)N[C@@H](CN(C)C)c2ccccc2)cc1 ZINC000105057936 325554459 /nfs/dbraw/zinc/55/44/59/325554459.db2.gz UKPOOCSYXZHAKS-SFHVURJKSA-N 0 3 370.453 2.236 10 0 FEAEHN O=C(NCCCc1c[nH]c2ccccc12)NC[C@H](O)CN1CCCCC1 ZINC000107851941 325635529 /nfs/dbraw/zinc/63/55/29/325635529.db2.gz NTSJCHIIWNNKMT-KRWDZBQOSA-N 0 3 358.486 2.247 10 0 FEAEHN Cc1ncc(CN2CCN(C(=O)[C@H](C)N3[C@@H](C)CC[C@@H]3C)CC2)s1 ZINC000111622772 325727510 /nfs/dbraw/zinc/72/75/10/325727510.db2.gz IWNZLFWYGAZYPI-KKUMJFAQSA-N 0 3 350.532 2.357 10 0 FEAEHN C[C@@H](N[C@@H]1CCc2ncnn2C1)C(=O)Nc1ccccc1C(F)(F)F ZINC000112550474 325790015 /nfs/dbraw/zinc/79/00/15/325790015.db2.gz SYCGRNVFOHNZMD-GHMZBOCLSA-N 0 3 353.348 2.229 10 0 FEAEHN Cc1ccccc1CCNC(=O)[C@H](C)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000112552032 325791249 /nfs/dbraw/zinc/79/12/49/325791249.db2.gz NLQPMKQHPJVQJN-WMZOPIPTSA-N 0 3 369.513 2.362 10 0 FEAEHN CN(C)CCOc1ccc(CNC(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000116421374 326013326 /nfs/dbraw/zinc/01/33/26/326013326.db2.gz MOXNCBDEMWDJOC-KRWDZBQOSA-N 0 3 371.485 2.060 10 0 FEAEHN COc1ccc(-c2nc(C(=O)N3CCO[C@@H](CN(C)C)C3)cs2)cc1 ZINC000116790065 326036176 /nfs/dbraw/zinc/03/61/76/326036176.db2.gz MTHMOEVGCUQVPT-HNNXBMFYSA-N 0 3 361.467 2.221 10 0 FEAEHN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000116796227 326036354 /nfs/dbraw/zinc/03/63/54/326036354.db2.gz PLFCPPKSPUAYIE-HNNXBMFYSA-N 0 3 362.861 2.237 10 0 FEAEHN COc1ccccc1CCC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000119725514 326192093 /nfs/dbraw/zinc/19/20/93/326192093.db2.gz BKNXRXPJUBKGJF-FQEVSTJZSA-N 0 3 368.477 2.163 10 0 FEAEHN O=C(Cc1ccc(F)c(F)c1)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000119805839 326200390 /nfs/dbraw/zinc/20/03/90/326200390.db2.gz FVBZFMGZQFWZOS-KRWDZBQOSA-N 0 3 360.404 2.043 10 0 FEAEHN O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000120691961 326279128 /nfs/dbraw/zinc/27/91/28/326279128.db2.gz RUQAFAZBOWLOIR-SIKLNZKXSA-N 0 3 371.525 2.352 10 0 FEAEHN C[C@@H](NC(=O)N1CCO[C@H](CN(C)C)C1)c1ncc(-c2ccccc2)o1 ZINC000121179212 326319557 /nfs/dbraw/zinc/31/95/57/326319557.db2.gz QMZLSOUZPAOZJT-GDBMZVCRSA-N 0 3 358.442 2.375 10 0 FEAEHN CCn1cc(CN2CCCN(Cc3c[nH]nc3-c3cccnc3)CC2)cn1 ZINC000121643894 326354471 /nfs/dbraw/zinc/35/44/71/326354471.db2.gz KJWDHVJTGHSJQM-UHFFFAOYSA-N 0 3 365.485 2.396 10 0 FEAEHN CN(C)Cc1ccc(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000122308180 326391936 /nfs/dbraw/zinc/39/19/36/326391936.db2.gz XGMAPWKRKVKBGK-GOSISDBHSA-N 0 3 353.470 2.279 10 0 FEAEHN CCC[C@@](C)(O)C(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000127561232 326508778 /nfs/dbraw/zinc/50/87/78/326508778.db2.gz DPBVJXSQQSDRER-PZJWPPBQSA-N 0 3 362.514 2.442 10 0 FEAEHN CN(C)CCOc1ccccc1C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000151522839 326684536 /nfs/dbraw/zinc/68/45/36/326684536.db2.gz DUPBNTXDLBSHDQ-QGZVFWFLSA-N 0 3 355.438 2.316 10 0 FEAEHN COc1ccc(C(=O)N2CC[C@@H](N(C)C)C2)cc1I ZINC000152149807 326700043 /nfs/dbraw/zinc/70/00/43/326700043.db2.gz YRKJGHYZKUSVMR-LLVKDONJSA-N 0 3 374.222 2.076 10 0 FEAEHN CN(C)C[C@@H](NC(=O)N[C@H]1CCN(c2ncccc2F)C1)c1ccccc1 ZINC000153840081 326744399 /nfs/dbraw/zinc/74/43/99/326744399.db2.gz OMDATBKVXSAJTH-FUHWJXTLSA-N 0 3 371.460 2.402 10 0 FEAEHN Cc1ccc(NC(=O)N2CCO[C@H](CN(C)C)C2)cc1OCC(F)F ZINC000158160991 326887141 /nfs/dbraw/zinc/88/71/41/326887141.db2.gz QZJGKZDZVBQIMM-CQSZACIVSA-N 0 3 357.401 2.433 10 0 FEAEHN O=C([C@@H]1CC(=O)Nc2ccccc21)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000158373840 326893847 /nfs/dbraw/zinc/89/38/47/326893847.db2.gz FYGVJSFZAJGFGB-SJLPKXTDSA-N 0 3 371.481 2.216 10 0 FEAEHN CCC[C@@H](C(=O)NCCCN1CCN(Cc2ccccc2)CC1)N(C)C ZINC000161530299 327001862 /nfs/dbraw/zinc/00/18/62/327001862.db2.gz ARFLLSWNBIPLSK-FQEVSTJZSA-N 0 3 360.546 2.041 10 0 FEAEHN COc1cc(C(=O)N2CC[C@H](N(C)C)C2)cc(OC)c1Br ZINC000170858537 327102822 /nfs/dbraw/zinc/10/28/22/327102822.db2.gz WFJNIHDPIOPDOL-NSHDSACASA-N 0 3 357.248 2.242 10 0 FEAEHN CCN1CCc2nc3ccccc3c(C(=O)N3CC[C@@H](N(C)C)C3)c2C1 ZINC000170856403 327102952 /nfs/dbraw/zinc/10/29/52/327102952.db2.gz XIIDLDUQTSODGW-OAHLLOKOSA-N 0 3 352.482 2.389 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)Cc2csc(NC(=O)c3ccccc3)n2)C1 ZINC000170856025 327103002 /nfs/dbraw/zinc/10/30/02/327103002.db2.gz KMSJWJVXPCRMHE-HNNXBMFYSA-N 0 3 358.467 2.100 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C1 ZINC000170859869 327103429 /nfs/dbraw/zinc/10/34/29/327103429.db2.gz JAXNJBOTKHPUKX-NVXWUHKLSA-N 0 3 363.889 2.355 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)/C=C/c2ccc(I)o2)C1 ZINC000170863523 327103839 /nfs/dbraw/zinc/10/38/39/327103839.db2.gz DRVNHKQMIFGGSK-DFVUYQKZSA-N 0 3 360.195 2.060 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccc(F)cc2I)C1 ZINC000170866260 327103973 /nfs/dbraw/zinc/10/39/73/327103973.db2.gz KXQFQKGZUOQRES-SNVBAGLBSA-N 0 3 362.186 2.206 10 0 FEAEHN Cc1nc(C)n(C[C@H]2CCCN(Cc3cnc4c(c3)c(C)nn4C)C2)n1 ZINC000171509450 327143360 /nfs/dbraw/zinc/14/33/60/327143360.db2.gz ZJTFJMAQTGFPPU-INIZCTEOSA-N 0 3 353.474 2.397 10 0 FEAEHN O[C@H](COc1cccc(C(F)(F)F)c1)CN1CCC[C@H](n2cncn2)C1 ZINC000171525002 327143995 /nfs/dbraw/zinc/14/39/95/327143995.db2.gz UFKQDUFDRVLNOD-GJZGRUSLSA-N 0 3 370.375 2.374 10 0 FEAEHN O=C(Nc1cccc(CNC(=O)N2CCN3CCC[C@@H]3C2)c1)C1CCC1 ZINC000171900306 327168730 /nfs/dbraw/zinc/16/87/30/327168730.db2.gz IFOFFMPAXATGFX-GOSISDBHSA-N 0 3 356.470 2.415 10 0 FEAEHN O=C(NCc1ccc(N2CCCCC2=O)cc1)N1CCN2CCC[C@@H]2C1 ZINC000171903941 327169061 /nfs/dbraw/zinc/16/90/61/327169061.db2.gz IHKHFNRXWJWKTE-GOSISDBHSA-N 0 3 356.470 2.193 10 0 FEAEHN CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000171907929 327169665 /nfs/dbraw/zinc/16/96/65/327169665.db2.gz ZTRIBTMBILLUDW-JKSUJKDBSA-N 0 3 366.506 2.123 10 0 FEAEHN CCN1CCN(c2ccc(C(=O)N3C[C@@H]4CCCN4C[C@@H]3C)cc2F)CC1 ZINC000172054659 327178136 /nfs/dbraw/zinc/17/81/36/327178136.db2.gz UKLZJEMYSPZMAL-WMZOPIPTSA-N 0 3 374.504 2.276 10 0 FEAEHN Cc1cnn(CCNC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)c1 ZINC000172126889 327182345 /nfs/dbraw/zinc/18/23/45/327182345.db2.gz CIMSYXMBDWCAMB-UHFFFAOYSA-N 0 3 355.486 2.152 10 0 FEAEHN C[C@H](c1ccc(NC(=O)N2CCN3CCC[C@@H]3C2)cc1)N1CCOCC1 ZINC000172250252 327190252 /nfs/dbraw/zinc/19/02/52/327190252.db2.gz ZPTDTWCTRODVLD-VQIMIIECSA-N 0 3 358.486 2.392 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000173256979 327244651 /nfs/dbraw/zinc/24/46/51/327244651.db2.gz CQFXKOHTKKBJKT-QZTJIDSGSA-N 0 3 360.502 2.026 10 0 FEAEHN CCc1ccc([C@@H](CNC(=O)N2CCC[C@H](n3cncn3)C2)N(C)C)cc1 ZINC000173412705 327254547 /nfs/dbraw/zinc/25/45/47/327254547.db2.gz YXNMCFPWQHAILF-RBUKOAKNSA-N 0 3 370.501 2.490 10 0 FEAEHN C[C@@H](C(=O)N1CCO[C@H](CN(C)C)C1)c1ccc(Br)s1 ZINC000173521802 327263228 /nfs/dbraw/zinc/26/32/28/327263228.db2.gz ULGLYCCJFJVDOV-GHMZBOCLSA-N 0 3 361.305 2.403 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000173727074 327279474 /nfs/dbraw/zinc/27/94/74/327279474.db2.gz QHPDMGCKLRWVLG-LSDHHAIUSA-N 0 3 362.451 2.040 10 0 FEAEHN Cc1cc(C(=O)N(C)CC2CCN(C[C@H](O)c3ccccc3)CC2)n(C)n1 ZINC000177455964 327523606 /nfs/dbraw/zinc/52/36/06/327523606.db2.gz LGDJMMLYOZKIOR-FQEVSTJZSA-N 0 3 370.497 2.246 10 0 FEAEHN CC[C@@H]1CCCCN1C(=O)[C@H](C)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000177460930 327524269 /nfs/dbraw/zinc/52/42/69/327524269.db2.gz QNMRGGIHRDHQPR-BBWFWOEESA-N 0 3 374.533 2.256 10 0 FEAEHN Cc1cnn([C@H]2CCCN(C(=O)C(=O)Nc3cccc(CN(C)C)c3)C2)c1 ZINC000177669011 327536828 /nfs/dbraw/zinc/53/68/28/327536828.db2.gz NMWFRKNCKVXWOB-SFHVURJKSA-N 0 3 369.469 2.055 10 0 FEAEHN Cc1c(Cl)cc(NC(=O)C(=O)N2CCO[C@H](CN(C)C)C2)cc1Cl ZINC000177678882 327537607 /nfs/dbraw/zinc/53/76/07/327537607.db2.gz ZPPMMNBGRVULBE-GFCCVEGCSA-N 0 3 374.268 2.029 10 0 FEAEHN Cc1nc(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)c(C)s1 ZINC000178622979 327596457 /nfs/dbraw/zinc/59/64/57/327596457.db2.gz FCEYXWRJGGFYTO-UHFFFAOYSA-N 0 3 359.499 2.179 10 0 FEAEHN CN1CCC(NC(=O)N2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)CC1 ZINC000248556202 328725582 /nfs/dbraw/zinc/72/55/82/328725582.db2.gz IFCFAKULZWPEFT-IMJJTQAJSA-N 0 3 366.506 2.025 10 0 FEAEHN Cc1c([C@@H](C)NC(=O)[C@@H](N)C2CCOCC2)cnn1-c1ccc(F)cc1 ZINC000261676197 328810730 /nfs/dbraw/zinc/81/07/30/328810730.db2.gz GQKGYAKQDZVVGG-XIKOKIGWSA-N 0 3 360.433 2.251 10 0 FEAEHN CCOC(=O)c1sc2ccsc2c1CNC(=O)C1(N)CCOCC1 ZINC000261678340 328811006 /nfs/dbraw/zinc/81/10/06/328811006.db2.gz CJEOFCXDFVLPQM-UHFFFAOYSA-N 0 3 368.480 2.264 10 0 FEAEHN NC1(C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)CCOCC1 ZINC000261861923 328825100 /nfs/dbraw/zinc/82/51/00/328825100.db2.gz NFKQJPHEUCCSER-UHFFFAOYSA-N 0 3 350.422 2.354 10 0 FEAEHN O=C(Nc1nc(-c2cccc(Br)c2)cs1)[C@@H]1C[C@@H](O)CN1 ZINC000262453900 328866759 /nfs/dbraw/zinc/86/67/59/328866759.db2.gz FCFDNFWQTMCYIG-MNOVXSKESA-N 0 3 368.256 2.234 10 0 FEAEHN C[C@@H](NC(=O)CN1CCO[C@H](CN(C)C)C1)c1ccc(Cl)cc1Cl ZINC000155378238 545519310 /nfs/dbraw/zinc/51/93/10/545519310.db2.gz YMEOPBMMKBQQJT-TZMCWYRMSA-N 0 3 374.312 2.433 10 0 FEAEHN CCC[C@H](C(=O)N1CCC[C@H](C2N=NC(=S)N2C2CC2)C1)N(C)C ZINC000155434722 545526215 /nfs/dbraw/zinc/52/62/15/545526215.db2.gz LIDAJCAFQYSXQR-GXTWGEPZSA-N 0 3 351.520 2.338 10 0 FEAEHN CC(C)[C@H](C(=O)N[C@H]1CN(C(C)C)C[C@H]1C)n1nnc(-c2ccccc2)n1 ZINC000158820828 545897614 /nfs/dbraw/zinc/89/76/14/545897614.db2.gz QCNWJCRQKYSYJH-BPQIPLTHSA-N 0 3 370.501 2.382 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)NCCc2ccc(F)c(Br)c2)C1 ZINC000170832696 546180068 /nfs/dbraw/zinc/18/00/68/546180068.db2.gz OINVGBZKIJHTPZ-GFCCVEGCSA-N 0 3 358.255 2.476 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)C1 ZINC000170865539 546181129 /nfs/dbraw/zinc/18/11/29/546181129.db2.gz FDUGHSLSZWJKLV-CYBMUJFWSA-N 0 3 360.408 2.415 10 0 FEAEHN COCCN(C)CCNC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000171195570 546194997 /nfs/dbraw/zinc/19/49/97/546194997.db2.gz AFEAWOCJFYTEDG-LBPRGKRZSA-N 0 3 358.280 2.388 10 0 FEAEHN COc1cc(OC)cc(N2CC[C@H](N3CCC(c4ccn[nH]4)CC3)C2=O)c1 ZINC000176223594 546421089 /nfs/dbraw/zinc/42/10/89/546421089.db2.gz KPJLQOHZWISXAT-IBGZPJMESA-N 0 3 370.453 2.412 10 0 FEAEHN CCCN1Cc2cccc(NC(=O)C(=O)N(C)C[C@H]3CCCN3CC)c2C1 ZINC000176894037 546503222 /nfs/dbraw/zinc/50/32/22/546503222.db2.gz XKNPRHXENDJTMM-QGZVFWFLSA-N 0 3 372.513 2.293 10 0 FEAEHN O=C(c1c(F)cccc1I)N1CCN2CCC[C@H]2C1 ZINC000177549512 546643528 /nfs/dbraw/zinc/64/35/28/546643528.db2.gz ZRPCFMQYIGTAKR-JTQLQIEISA-N 0 3 374.197 2.351 10 0 FEAEHN CC(C)CCOc1ccc(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000177684228 546665891 /nfs/dbraw/zinc/66/58/91/546665891.db2.gz PPLIKFDIJQWCDY-KRWDZBQOSA-N 0 3 359.470 2.357 10 0 FEAEHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000177781016 546685834 /nfs/dbraw/zinc/68/58/34/546685834.db2.gz UNMWZKCSYRMKFN-OAGGEKHMSA-N 0 3 351.491 2.329 10 0 FEAEHN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2CCN3CCC[C@@H]3C2)c1 ZINC000178629053 546822740 /nfs/dbraw/zinc/82/27/40/546822740.db2.gz QSDYAODRDPXZIK-APWZRJJASA-N 0 3 373.497 2.147 10 0 FEAEHN Cc1cc(NC(=O)N2CCO[C@@H](CN(C)C)C2)nn1-c1ccc(C)cc1 ZINC000180098270 547050663 /nfs/dbraw/zinc/05/06/63/547050663.db2.gz OIRPYZRTDGILDU-KRWDZBQOSA-N 0 3 357.458 2.283 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000180625421 547144832 /nfs/dbraw/zinc/14/48/32/547144832.db2.gz GTVRKPVSACUONY-MRXNPFEDSA-N 0 3 369.469 2.252 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(N2CCCC2=O)CC1 ZINC000181067201 547242768 /nfs/dbraw/zinc/24/27/68/547242768.db2.gz ZUKRXTQQPPIQJP-KRWDZBQOSA-N 0 3 372.513 2.303 10 0 FEAEHN CCn1cnnc1[C@@H]1CCCN(CCOc2ccccc2C(=O)OC)C1 ZINC000182110019 547439694 /nfs/dbraw/zinc/43/96/94/547439694.db2.gz SCCQWUBWBMYUHF-OAHLLOKOSA-N 0 3 358.442 2.343 10 0 FEAEHN CCn1cnnc1C1CCN(CCOc2ccccc2C(=O)OC)CC1 ZINC000182151252 547445350 /nfs/dbraw/zinc/44/53/50/547445350.db2.gz AHFFHFJFINTNHN-UHFFFAOYSA-N 0 3 358.442 2.343 10 0 FEAEHN C[C@@H](NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000183101201 547602079 /nfs/dbraw/zinc/60/20/79/547602079.db2.gz ZIPHDBDPICWTET-QAPCUYQASA-N 0 3 359.470 2.021 10 0 FEAEHN C[C@H](NCC(=O)Nc1cccc(I)c1)[C@H]1CCCO1 ZINC000183126754 547606479 /nfs/dbraw/zinc/60/64/79/547606479.db2.gz CZMKZEBCKWDXFH-GXFFZTMASA-N 0 3 374.222 2.387 10 0 FEAEHN C[C@@H](NCC(=O)Nc1cccc(I)c1)[C@@H]1CCCO1 ZINC000183126739 547606550 /nfs/dbraw/zinc/60/65/50/547606550.db2.gz CZMKZEBCKWDXFH-MFKMUULPSA-N 0 3 374.222 2.387 10 0 FEAEHN CC1(C)CCc2ccccc2[C@H]1NCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000183129585 547607518 /nfs/dbraw/zinc/60/75/18/547607518.db2.gz WDMSRTZOLGKIJS-HXUWFJFHSA-N 0 3 369.509 2.371 10 0 FEAEHN CCCN(CC(=O)Nc1ccccc1C)C(=O)CN[C@H](C)[C@@H]1CCCO1 ZINC000183191157 547618698 /nfs/dbraw/zinc/61/86/98/547618698.db2.gz QDLWPQGCFIVDFZ-AEFFLSMTSA-N 0 3 361.486 2.329 10 0 FEAEHN CCOC(=O)C1CCN(C(=O)C[C@@H](C)N[C@@H]2COc3ccccc32)CC1 ZINC000183595420 547687182 /nfs/dbraw/zinc/68/71/82/547687182.db2.gz SWQYETIAWBOARU-RHSMWYFYSA-N 0 3 360.454 2.290 10 0 FEAEHN C[C@H](NC[C@@H](O)CN1CCCCC1)c1ncc(Br)cc1F ZINC000187049920 548248150 /nfs/dbraw/zinc/24/81/50/548248150.db2.gz GXCNXPILLZBBLT-WCQYABFASA-N 0 3 360.271 2.481 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)NCc2ccnc(C)n2)C1 ZINC000190698988 548332917 /nfs/dbraw/zinc/33/29/17/548332917.db2.gz GPVGBBAQPNBDFV-HNNXBMFYSA-N 0 3 374.514 2.213 10 0 FEAEHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191560406 548347909 /nfs/dbraw/zinc/34/79/09/548347909.db2.gz CNIQZSUBAOQNFP-WMZOPIPTSA-N 0 3 360.502 2.063 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000194268203 548457774 /nfs/dbraw/zinc/45/77/74/548457774.db2.gz ZTYNQRHAHUUGTA-HIFRSBDPSA-N 0 3 353.260 2.353 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)C1 ZINC000194334315 548467506 /nfs/dbraw/zinc/46/75/06/548467506.db2.gz WZMMFMQJLYFACI-KRWDZBQOSA-N 0 3 374.485 2.294 10 0 FEAEHN CCCCOC[C@H](O)CN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000195186910 548592239 /nfs/dbraw/zinc/59/22/39/548592239.db2.gz SIHXFLOYHCKGND-DLBZAZTESA-N 0 3 353.438 2.199 10 0 FEAEHN CCOc1ccc(-c2noc(CCC(=O)N3CCN4CCC[C@@H]4C3)n2)cc1 ZINC000195329217 548625845 /nfs/dbraw/zinc/62/58/45/548625845.db2.gz UPFSUIPIRKGVHV-MRXNPFEDSA-N 0 3 370.453 2.375 10 0 FEAEHN Cc1c(C(=O)N[C@H](CC(C)C)CN(C)C)nnn1Cc1ccc(F)cc1 ZINC000195453353 548642660 /nfs/dbraw/zinc/64/26/60/548642660.db2.gz VYBGEGUXKUSSPT-QGZVFWFLSA-N 0 3 361.465 2.480 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cc(F)ccc2OC(F)F)C1 ZINC000245784163 548993828 /nfs/dbraw/zinc/99/38/28/548993828.db2.gz SMZKYSBZHWUVSF-GXFFZTMASA-N 0 3 373.375 2.211 10 0 FEAEHN CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000245962179 549028173 /nfs/dbraw/zinc/02/81/73/549028173.db2.gz SPHYXGNGRKFNQU-RDTXWAMCSA-N 0 3 369.469 2.043 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000246032360 549038629 /nfs/dbraw/zinc/03/86/29/549038629.db2.gz AKGVKDLDXQGJLB-BMFZPTHFSA-N 0 3 350.484 2.257 10 0 FEAEHN O=C(NC[C@H]1CCCN1Cc1ccccc1)N[C@H]1CCCn2ncnc21 ZINC000246085549 549048420 /nfs/dbraw/zinc/04/84/20/549048420.db2.gz GCWSXYMJCGURBH-SJORKVTESA-N 0 3 354.458 2.077 10 0 FEAEHN CCc1noc([C@H](C)N2CCN(C(=O)[C@H](C)[C@@H](N)c3ccccc3)CC2)n1 ZINC000246240325 549087139 /nfs/dbraw/zinc/08/71/39/549087139.db2.gz ISDPRJLEMPVANW-RVKKMQEKSA-N 0 3 371.485 2.173 10 0 FEAEHN CSCCc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000246345328 549111257 /nfs/dbraw/zinc/11/12/57/549111257.db2.gz HHNLJSOERRPJBH-RHSMWYFYSA-N 0 3 363.527 2.376 10 0 FEAEHN CCOCCN1CCN(C[C@@H](O)COc2cccc(C)c2)C[C@H]1CC ZINC000246401301 549126254 /nfs/dbraw/zinc/12/62/54/549126254.db2.gz QBBHXCCMJTWUQF-RTBURBONSA-N 0 3 350.503 2.167 10 0 FEAEHN CCn1nnnc1-c1cccc(NC(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000246536724 549155983 /nfs/dbraw/zinc/15/59/83/549155983.db2.gz VHSJUFYDYMJSCN-CJNGLKHVSA-N 0 3 357.462 2.210 10 0 FEAEHN CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC[C@@H](Cn2cncn2)C1 ZINC000246656449 549183624 /nfs/dbraw/zinc/18/36/24/549183624.db2.gz CRYRSNCJQMOMDV-PKOBYXMFSA-N 0 3 355.486 2.427 10 0 FEAEHN CS[C@H](CO)[C@@H](C)NC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000246875910 549232821 /nfs/dbraw/zinc/23/28/21/549232821.db2.gz JZLDUTXPLLHIQO-KBAYOESNSA-N 0 3 365.543 2.453 10 0 FEAEHN O[C@H](COCc1ccc(Cl)cc1)CN1CCS[C@@H]2COCC[C@H]21 ZINC000246881582 549234445 /nfs/dbraw/zinc/23/44/45/549234445.db2.gz LTOONWLYSYMTKN-GVDBMIGSSA-N 0 3 357.903 2.424 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccc(Br)c1 ZINC000247070114 549275858 /nfs/dbraw/zinc/27/58/58/549275858.db2.gz HMUMGMGVEFCQMJ-AAEUAGOBSA-N 0 3 359.289 2.306 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCCN(c3nccs3)CC2)C1 ZINC000247306261 549313838 /nfs/dbraw/zinc/31/38/38/549313838.db2.gz LQQTUPVTNJEEAI-LSDHHAIUSA-N 0 3 351.520 2.094 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCCN(c3nccs3)CC2)C1 ZINC000247306252 549314539 /nfs/dbraw/zinc/31/45/39/549314539.db2.gz LQQTUPVTNJEEAI-HUUCEWRRSA-N 0 3 351.520 2.094 10 0 FEAEHN CCOCCN1CCN(C(=O)[C@H](Cc2ccccc2)N(C)C)C[C@@H]1CC ZINC000247583575 549362040 /nfs/dbraw/zinc/36/20/40/549362040.db2.gz ZBIRJONUFVHEAE-PMACEKPBSA-N 0 3 361.530 2.119 10 0 FEAEHN O[C@H](COc1ccc(Br)cc1)CN1CCN2CCCC[C@H]2C1 ZINC000248339840 549421181 /nfs/dbraw/zinc/42/11/81/549421181.db2.gz IJJWJLAKPYSKHD-HOTGVXAUSA-N 0 3 369.303 2.359 10 0 FEAEHN CCCc1csc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2CC)n1 ZINC000248680786 549483487 /nfs/dbraw/zinc/48/34/87/549483487.db2.gz OKBIFUUUXUNVHO-KGLIPLIRSA-N 0 3 350.488 2.119 10 0 FEAEHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000248687206 549484174 /nfs/dbraw/zinc/48/41/74/549484174.db2.gz HPJYRQCQNNJWKF-KFWWJZLASA-N 0 3 364.456 2.433 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc2ccn(C)c21 ZINC000248987692 549535817 /nfs/dbraw/zinc/53/58/17/549535817.db2.gz FIMHSXONWYISRI-CVEARBPZSA-N 0 3 354.454 2.202 10 0 FEAEHN CCCN1Cc2cccc(NC(=O)C(=O)N3C[C@@H]4CCCN4C[C@H]3C)c2C1 ZINC000249169949 549564895 /nfs/dbraw/zinc/56/48/95/549564895.db2.gz LAPXUYRBTYBWPR-WBVHZDCISA-N 0 3 370.497 2.046 10 0 FEAEHN CCCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000249194866 549567128 /nfs/dbraw/zinc/56/71/28/549567128.db2.gz PZBJUGKGKZVPIU-UKRRQHHQSA-N 0 3 363.433 2.248 10 0 FEAEHN CCN(C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(CC)C2)C1)CC(F)(F)F ZINC000249489035 549596129 /nfs/dbraw/zinc/59/61/29/549596129.db2.gz YYRALWMXBWRQDJ-LSDHHAIUSA-N 0 3 364.456 2.386 10 0 FEAEHN OC[C@@H]1CN(C[C@H](O)COCc2cccs2)C[C@H]1c1ccsc1 ZINC000249555124 549604346 /nfs/dbraw/zinc/60/43/46/549604346.db2.gz JLLFJDFEKPVZOP-ZOBUZTSGSA-N 0 3 353.509 2.395 10 0 FEAEHN OC[C@@H]1CN(C[C@@H](O)COc2ccc(F)cc2)C[C@H]1c1ccsc1 ZINC000249581496 549607605 /nfs/dbraw/zinc/60/76/05/549607605.db2.gz RHJFHRYHJCLYRW-LESCRADOSA-N 0 3 351.443 2.335 10 0 FEAEHN CCOc1ccccc1Oc1ccc(CNC(=O)C2(N)CCOCC2)cn1 ZINC000261886131 549766214 /nfs/dbraw/zinc/76/62/14/549766214.db2.gz PZJQKWBJPHUZCZ-UHFFFAOYSA-N 0 3 371.437 2.397 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2cnc(-c3ccc4c(c3)OCO4)s2)n1 ZINC000263271395 549890851 /nfs/dbraw/zinc/89/08/51/549890851.db2.gz SELFWVAKXPZUFW-LLVKDONJSA-N 0 3 371.422 2.165 10 0 FEAEHN OCC1(CN2C[C@H]3CCC[C@@]3(c3nc(Cc4ccccc4)no3)C2)COC1 ZINC000328604028 553795322 /nfs/dbraw/zinc/79/53/22/553795322.db2.gz IDIGZGHTOXRJRZ-DYESRHJHSA-N 0 3 369.465 2.023 10 0 FEAEHN C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000374179547 557837993 /nfs/dbraw/zinc/83/79/93/557837993.db2.gz UGXHIHKQTUSQAA-OHNZXXHYSA-N 0 3 352.519 2.178 10 0 FEAEHN C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC[C@@H]1[C@H]1COCC[C@]1(C)O ZINC000375435145 558026590 /nfs/dbraw/zinc/02/65/90/558026590.db2.gz XAZJEUYQPQPHAB-MRSISVSCSA-N 0 3 352.519 2.322 10 0 FEAEHN CC1CCN(CCNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000046957301 670232571 /nfs/dbraw/zinc/23/25/71/670232571.db2.gz PTMOSHNQVBINHC-INIZCTEOSA-N 0 3 353.507 2.482 10 0 FEAEHN CC[C@@H]1CN(Cn2nc(N(C)C)n(C(C)C)c2=S)CCN1CCOC ZINC000117325013 670914889 /nfs/dbraw/zinc/91/48/89/670914889.db2.gz QLHXAGFYJSLEQB-OAHLLOKOSA-N 0 3 370.567 2.061 10 0 FEAEHN Cc1nn(CN2CCN(c3ccc(CN(C)C)cn3)CC2)c(=S)s1 ZINC000152696814 672186214 /nfs/dbraw/zinc/18/62/14/672186214.db2.gz XQFJVHIEDWJNEP-UHFFFAOYSA-N 0 3 364.544 2.219 10 0 FEAEHN CCn1c(-c2ccccc2)nn(CN2CCO[C@@H](CN(C)C)C2)c1=S ZINC000152981763 672191318 /nfs/dbraw/zinc/19/13/18/672191318.db2.gz HSCLNABCCROJLR-INIZCTEOSA-N 0 3 361.515 2.321 10 0 FEAEHN Cc1cc(Br)cc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)c1O ZINC000180084487 672408753 /nfs/dbraw/zinc/40/87/53/672408753.db2.gz HARIYFSDOMFFLX-CHWSQXEVSA-N 0 3 357.292 2.350 10 0 FEAEHN CN(CC1CC1)C(=O)CN1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000186004579 672538919 /nfs/dbraw/zinc/53/89/19/672538919.db2.gz LDLRYWLQNUKYHL-JYJNAYRXSA-N 0 3 351.491 2.090 10 0 FEAEHN COc1ccnc(C(=O)N2CC[C@@H](CN(C)Cc3scnc3C)C2)c1 ZINC000190547946 672643898 /nfs/dbraw/zinc/64/38/98/672643898.db2.gz OFWWFJNKSSPQBJ-AWEZNQCLSA-N 0 3 360.483 2.449 10 0 FEAEHN CC[C@@H](O)CN1CCN(C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195169669 672777541 /nfs/dbraw/zinc/77/75/41/672777541.db2.gz VZPOJTMYKGLQFU-APWZRJJASA-N 0 3 355.523 2.022 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)C1 ZINC000245686761 672823366 /nfs/dbraw/zinc/82/33/66/672823366.db2.gz NUNSFPBEVGDYKD-LSDHHAIUSA-N 0 3 354.495 2.073 10 0 FEAEHN COCCN1CCN(C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000248669942 672860429 /nfs/dbraw/zinc/86/04/29/672860429.db2.gz RWGMHHNBZGLAON-QFBILLFUSA-N 0 3 355.523 2.286 10 0 FEAEHN COC(=O)c1cc(CNC[C@@H](C)N(C)C(=O)OC(C)(C)C)n(C)c1C ZINC000310714750 673025569 /nfs/dbraw/zinc/02/55/69/673025569.db2.gz MZRVKYWPOYWZBN-GFCCVEGCSA-N 0 3 353.463 2.465 10 0 FEAEHN Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)c1ccnn1CCN(C)C ZINC000900597568 690536636 /nfs/dbraw/zinc/53/66/36/690536636.db2.gz JNZVWAVHSNKEHE-ZDUSSCGKSA-N 0 3 364.881 2.117 10 0 FEAEHN Cc1cccc2c1ncn(CC(=O)N[C@H](CN(C)C)c1ccccc1)c2=O ZINC000024537943 539733779 /nfs/dbraw/zinc/73/37/79/539733779.db2.gz VPZILFLAMJRBAN-GOSISDBHSA-N 0 3 364.449 2.124 10 0 FEAEHN Cc1noc(C)c1CS(=O)(=O)C(C)C(=O)N[C@@H](C)c1ccccc1 ZINC000046106777 540241994 /nfs/dbraw/zinc/24/19/94/540241994.db2.gz OBIACCUFMUKWAB-FZMZJTMJSA-N 0 3 350.440 2.472 10 0 FEAEHN CCN1CCN(Cc2ccc(CNC(=O)N[C@H](C)[C@H]3CCCO3)cc2)CC1 ZINC000046121100 540243442 /nfs/dbraw/zinc/24/34/42/540243442.db2.gz VZSJDXBHNMOUHZ-YLJYHZDGSA-N 0 3 374.529 2.191 10 0 FEAEHN C[C@H](OCCCNC(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1 ZINC000049174654 540383427 /nfs/dbraw/zinc/38/34/27/540383427.db2.gz HKWPSHJPLQEVAS-PKOBYXMFSA-N 0 3 363.502 2.300 10 0 FEAEHN CN(C)C[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 ZINC000052555129 540473108 /nfs/dbraw/zinc/47/31/08/540473108.db2.gz QRYKWGYFCDQANN-VQTJNVASSA-N 0 3 365.477 2.454 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N(C)Cc2ccccc2N2CCOCC2)C1 ZINC000052593651 540476219 /nfs/dbraw/zinc/47/62/19/540476219.db2.gz NZORMENBFUCUOT-SFHVURJKSA-N 0 3 360.502 2.149 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1 ZINC000052594547 540476246 /nfs/dbraw/zinc/47/62/46/540476246.db2.gz FAFKSXVLULFZGO-GOSISDBHSA-N 0 3 358.486 2.075 10 0 FEAEHN O=C(C1CCN(C[C@H](O)COCc2ccccc2)CC1)N1CCCCC1 ZINC000057943111 540825062 /nfs/dbraw/zinc/82/50/62/540825062.db2.gz XUAZUONXMKUNDQ-FQEVSTJZSA-N 0 3 360.498 2.289 10 0 FEAEHN CC[C@H](C)NC(=O)c1cccc(CNC(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000247373254 549326186 /nfs/dbraw/zinc/32/61/86/549326186.db2.gz FJZBIKFGAGBJSJ-YJBOKZPZSA-N 0 3 358.486 2.205 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000247381246 549327000 /nfs/dbraw/zinc/32/70/00/549327000.db2.gz FMGSGYNIXSHVDC-KLHDSHLOSA-N 0 3 351.491 2.375 10 0 FEAEHN CC(C)c1ccc([C@@H](C)NCCNS(=O)(=O)c2cnn(C)c2)cc1 ZINC000072556635 541831189 /nfs/dbraw/zinc/83/11/89/541831189.db2.gz WRQKAKRBDOUVJG-CQSZACIVSA-N 0 3 350.488 2.173 10 0 FEAEHN CCN1CCC[C@@H]1CNC(=O)c1cc2c(c3ccccc3n(C)c2=O)n1C ZINC000004938692 204178013 /nfs/dbraw/zinc/17/80/13/204178013.db2.gz OMRGMEMGXQGGKE-CQSZACIVSA-N 0 3 366.465 2.244 10 0 aggregator FEAEHN Cc1ccc2cccc(Oc3ncnc(NN4CCN(C)CC4)c3N)c2n1 ZINC000040752266 205079605 /nfs/dbraw/zinc/07/96/05/205079605.db2.gz XGOGIAFLFCCVNK-UHFFFAOYSA-N 0 3 365.441 2.282 10 0 FEAEHN O=C(N[C@H]1CC2(CCN(CCO)CC2)c2ccccc21)c1ccncc1 ZINC000096079090 205817958 /nfs/dbraw/zinc/81/79/58/205817958.db2.gz QFBJISRKIOKZPD-IBGZPJMESA-N 0 3 351.450 2.282 10 0 FEAEHN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCc1cccc(CN(C)C)c1 ZINC000073713030 541989961 /nfs/dbraw/zinc/98/99/61/541989961.db2.gz JAJSIHWGWUJBOX-GOSISDBHSA-N 0 3 360.502 2.291 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000073722831 541991002 /nfs/dbraw/zinc/99/10/02/541991002.db2.gz IPEZAMSDBUPUHU-FUHWJXTLSA-N 0 3 360.502 2.410 10 0 FEAEHN Cc1cc(NC(=O)CCN2CCC[C@H]2CNC(=O)OC(C)(C)C)no1 ZINC000076007897 542224802 /nfs/dbraw/zinc/22/48/02/542224802.db2.gz SSDQZNPCVKUCMA-ZDUSSCGKSA-N 0 3 352.435 2.301 10 0 FEAEHN Cc1sc2ncnc(N3CCN(C)[C@]4(C3)CCNC(=O)CC4)c2c1C ZINC000091256051 132200608 /nfs/dbraw/zinc/20/06/08/132200608.db2.gz DLDBBWVXWNGDRA-SFHVURJKSA-N 0 3 359.499 2.099 10 0 FEAEHN CN(C)c1cnnc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1 ZINC000224309509 132283111 /nfs/dbraw/zinc/28/31/11/132283111.db2.gz FHHIUSUWRLJTCK-UHFFFAOYSA-N 0 3 359.861 2.087 10 0 FEAEHN O=c1c2sccc2nc(N2CCNCC2)n1Cc1c(F)cccc1F ZINC000057344430 132376430 /nfs/dbraw/zinc/37/64/30/132376430.db2.gz AZVSJLJKUYZUMK-UHFFFAOYSA-N 0 3 362.405 2.194 10 0 FEAEHN Cc1c(NC(=O)NCCN2CCC[C@@H](C(N)=O)C2)cccc1-n1cccc1 ZINC000096152441 542993471 /nfs/dbraw/zinc/99/34/71/542993471.db2.gz ZGSDLSRTQLCILC-MRXNPFEDSA-N 0 3 369.469 2.105 10 0 FEAEHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)c2ccccc2C)CC1 ZINC000103593768 543114822 /nfs/dbraw/zinc/11/48/22/543114822.db2.gz FHCSUBWBDQAZNT-QGZVFWFLSA-N 0 3 360.502 2.252 10 0 FEAEHN CC(C)(C)c1csc(CCNC(=O)NC[C@H](O)CN2CCCCC2)n1 ZINC000105295370 543170126 /nfs/dbraw/zinc/17/01/26/543170126.db2.gz AQBNFOIUMHYNNU-AWEZNQCLSA-N 0 3 368.547 2.129 10 0 FEAEHN Cc1ccc(OC[C@@H](O)CN2CCCN(c3cccnn3)CC2)c(C)c1 ZINC000106068669 543188228 /nfs/dbraw/zinc/18/82/28/543188228.db2.gz UKORHGCZKAITCV-SFHVURJKSA-N 0 3 356.470 2.045 10 0 FEAEHN CN(Cc1nc(-c2ccoc2)no1)C1CCN(CCn2cccn2)CC1 ZINC000106128578 543205482 /nfs/dbraw/zinc/20/54/82/543205482.db2.gz RRDNIPUIYJRSSD-UHFFFAOYSA-N 0 3 356.430 2.123 10 0 FEAEHN CC[C@H]1CN(C[C@H](O)COc2ccc(Cl)cc2)CCN1CCOC ZINC000106114444 543201856 /nfs/dbraw/zinc/20/18/56/543201856.db2.gz UUISJIBIOXHSNH-IRXDYDNUSA-N 0 3 356.894 2.122 10 0 FEAEHN CCOCCN1CCN(C[C@H](O)COc2ccc(C)cc2)C[C@@H]1CC ZINC000106117478 543202881 /nfs/dbraw/zinc/20/28/81/543202881.db2.gz VLJVFTUKGRUTJV-OALUTQOASA-N 0 3 350.503 2.167 10 0 FEAEHN CC(C)N1CCO[C@@H](CN2CCN(Cc3cccc4cccnc43)CC2)C1 ZINC000106122224 543203836 /nfs/dbraw/zinc/20/38/36/543203836.db2.gz JFNFHPTYKVJARU-NRFANRHFSA-N 0 3 368.525 2.462 10 0 FEAEHN COC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@H](n3cc(C)cn3)C2)cc1 ZINC000106222984 543220131 /nfs/dbraw/zinc/22/01/31/543220131.db2.gz QMPXFVBBBVEUHF-ROUUACIJSA-N 0 3 373.453 2.055 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)c2csc(I)c2)C1 ZINC000107591157 543273198 /nfs/dbraw/zinc/27/31/98/543273198.db2.gz JAZWGVAHLDYJFU-VIFPVBQESA-N 0 3 350.225 2.129 10 0 FEAEHN CCCC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2OCCN(C)C)C1 ZINC000110198397 543351902 /nfs/dbraw/zinc/35/19/02/543351902.db2.gz YJFRLZALONKNPT-MRXNPFEDSA-N 0 3 361.486 2.148 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@H]1CCN(c3ccccc3F)C1=O)CC2 ZINC000112345552 543442620 /nfs/dbraw/zinc/44/26/20/543442620.db2.gz UQKMJDKXNKBOLP-HIFRSBDPSA-N 0 3 357.433 2.251 10 0 FEAEHN CCN(CCNC(=O)N1CCN(c2nc3cc(C)ccc3o2)CC1)C1CC1 ZINC000112391188 543444544 /nfs/dbraw/zinc/44/45/44/543444544.db2.gz CGMSOAGYJOKRIH-UHFFFAOYSA-N 0 3 371.485 2.452 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@@H](C)C(=O)NCCc1ccc(F)cc1)CC2 ZINC000112552053 543452113 /nfs/dbraw/zinc/45/21/13/543452113.db2.gz YRLGHNUVPYNWCK-WMLDXEAASA-N 0 3 373.476 2.192 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000113233496 543479410 /nfs/dbraw/zinc/47/94/10/543479410.db2.gz NWRGJORTKULULO-GDBMZVCRSA-N 0 3 351.491 2.329 10 0 FEAEHN C[C@@H](NC(C)(C)CNC(=O)N[C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000113625812 543493238 /nfs/dbraw/zinc/49/32/38/543493238.db2.gz ZLTCCVRYLKCUJB-ZBFHGGJFSA-N 0 3 356.474 2.022 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)NCCc3ccsc3)CC2)nc1 ZINC000114587955 543524935 /nfs/dbraw/zinc/52/49/35/543524935.db2.gz MMVKFOXCIYIXRZ-UHFFFAOYSA-N 0 3 373.526 2.279 10 0 FEAEHN Cc1ccc(NC(=O)CSCC(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1 ZINC000247475590 549339895 /nfs/dbraw/zinc/33/98/95/549339895.db2.gz SDJYNTWIMGFKPV-NVXWUHKLSA-N 0 3 361.511 2.362 10 0 FEAEHN CCOCCN1CCN(C(=O)[C@@H](Cc2ccccc2)N(C)C)C[C@H]1CC ZINC000116769250 543614908 /nfs/dbraw/zinc/61/49/08/543614908.db2.gz ZBIRJONUFVHEAE-WOJBJXKFSA-N 0 3 361.530 2.119 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cccc(C)c1C(=O)OC ZINC000122987100 543735838 /nfs/dbraw/zinc/73/58/38/543735838.db2.gz PNDBUCKOYSYPGK-LSDHHAIUSA-N 0 3 366.483 2.029 10 0 FEAEHN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000247485575 549342505 /nfs/dbraw/zinc/34/25/05/549342505.db2.gz WMQZMRVINXMYJV-KZULUSFZSA-N 0 3 360.458 2.062 10 0 FEAEHN CC[C@](C)(O)CN1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000123509553 543766304 /nfs/dbraw/zinc/76/63/04/543766304.db2.gz SESJIPCONGHNRE-XCLFUZPHSA-N 0 3 360.454 2.462 10 0 FEAEHN C[C@@H](CNC(=O)N[C@@H](C)c1nnc2n1CCCC2)N(C)Cc1ccccc1 ZINC000123607273 543772021 /nfs/dbraw/zinc/77/20/21/543772021.db2.gz NFCIJNRLAPPWQS-HOTGVXAUSA-N 0 3 370.501 2.495 10 0 FEAEHN CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@@H](CN(C)C)c2ccccc2)C1 ZINC000124310245 543813193 /nfs/dbraw/zinc/81/31/93/543813193.db2.gz KYAGCEBQKWZRCR-OALUTQOASA-N 0 3 374.529 2.483 10 0 FEAEHN CCc1cccc(CC(=O)NC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000126178744 543922132 /nfs/dbraw/zinc/92/21/32/543922132.db2.gz ITMOJGJZQCWFIR-NRFANRHFSA-N 0 3 352.478 2.327 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CNC1C[C@H](C)O[C@@H](C)C1 ZINC000128753741 544071061 /nfs/dbraw/zinc/07/10/61/544071061.db2.gz DEWYMTKLNKRTOW-GJZGRUSLSA-N 0 3 350.507 2.426 10 0 FEAEHN CS[C@@H](C)CNC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000129175090 544095008 /nfs/dbraw/zinc/09/50/08/544095008.db2.gz FAQKIGKDJMKIOB-YJBOKZPZSA-N 0 3 365.543 2.483 10 0 FEAEHN COc1ccccc1[C@H](CNC(=O)N1CCN2CCC[C@H]2C1)N1CCCC1 ZINC000247496883 549345168 /nfs/dbraw/zinc/34/51/68/549345168.db2.gz MSFFBQLKUAYRGU-HKUYNNGSSA-N 0 3 372.513 2.322 10 0 FEAEHN CN(C[C@H]1CCCN(C)C1)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000134883593 544325258 /nfs/dbraw/zinc/32/52/58/544325258.db2.gz ZAIZCYXHCMYRNK-POZUXBRTSA-N 0 3 361.461 2.145 10 0 FEAEHN O=C(C[C@@H]1CCCN1C[C@H](O)COC1CCOCC1)c1ccc(F)cc1 ZINC000134828288 544323138 /nfs/dbraw/zinc/32/31/38/544323138.db2.gz WPXPFHGTSUKYGY-ROUUACIJSA-N 0 3 365.445 2.419 10 0 FEAEHN COc1ccc(-c2cncc(C(=O)N3CCO[C@@H](CN(C)C)C3)c2)cc1 ZINC000135622290 544356456 /nfs/dbraw/zinc/35/64/56/544356456.db2.gz XIBJBVCQVWKCBE-IBGZPJMESA-N 0 3 355.438 2.160 10 0 FEAEHN CCOCCN1CCN(CCC(=O)Nc2ccc(OCC)cc2)C[C@@H]1C ZINC000137131301 544385552 /nfs/dbraw/zinc/38/55/52/544385552.db2.gz LKRZFUMKLZJCKY-KRWDZBQOSA-N 0 3 363.502 2.457 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@H](c1ccccc1F)N1CCOCC1 ZINC000137104044 544384367 /nfs/dbraw/zinc/38/43/67/544384367.db2.gz TZQQQAIUQHNYLJ-APWZRJJASA-N 0 3 365.493 2.292 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc3oc(C4CC4)nc3c2)[C@@H](C)C1 ZINC000150795563 544473100 /nfs/dbraw/zinc/47/31/00/544473100.db2.gz UIVXOLHCFIXFRV-LRDDRELGSA-N 0 3 370.453 2.489 10 0 FEAEHN CN(C)C[C@H](NC(=O)Nc1ccnc(C(=O)N(C)C)c1)c1ccccc1 ZINC000152044121 544609335 /nfs/dbraw/zinc/60/93/35/544609335.db2.gz ZRDXJFLMOKPNFS-KRWDZBQOSA-N 0 3 355.442 2.208 10 0 FEAEHN CC[C@H]1CN(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)CCN1CCOC ZINC000152486309 544659802 /nfs/dbraw/zinc/65/98/02/544659802.db2.gz KURXYSJYNRRGSR-INIZCTEOSA-N 0 3 372.469 2.268 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000152566679 544669042 /nfs/dbraw/zinc/66/90/42/544669042.db2.gz MPESHTWEJALEKY-MOPGFXCFSA-N 0 3 365.493 2.292 10 0 FEAEHN CN(C)C[C@H]1CN([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CCO1 ZINC000247520555 549350380 /nfs/dbraw/zinc/35/03/80/549350380.db2.gz WQZUWADQYRIKKJ-HOTGVXAUSA-N 0 3 371.403 2.073 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(-c2ncco2)c1 ZINC000153373791 544768045 /nfs/dbraw/zinc/76/80/45/544768045.db2.gz COYTUROZFXCZAA-INIZCTEOSA-N 0 3 356.426 2.223 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000154539927 544918495 /nfs/dbraw/zinc/91/84/95/544918495.db2.gz CDUSFBCHLUNBRB-YOEHRIQHSA-N 0 3 361.490 2.203 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000180011847 327668088 /nfs/dbraw/zinc/66/80/88/327668088.db2.gz OGDWOTQCTMMPAP-GJZGRUSLSA-N 0 3 361.269 2.206 10 0 FEAEHN CC(C)c1nnc2n1C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccccc1)CC2 ZINC000181414590 327729395 /nfs/dbraw/zinc/72/93/95/327729395.db2.gz PIISSIMDOYQMEN-SJORKVTESA-N 0 3 370.501 2.318 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@@H](Cc1ccc(Cl)cc1)C(N)=O)CC2 ZINC000185925893 327939543 /nfs/dbraw/zinc/93/95/43/327939543.db2.gz WBIVTNCEILGCSP-GJZGRUSLSA-N 0 3 361.877 2.056 10 0 FEAEHN CNS(=O)(=O)CCN[C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000187184923 328007846 /nfs/dbraw/zinc/00/78/46/328007846.db2.gz IMFVPTBJSAQTEO-ZDUSSCGKSA-N 0 3 351.497 2.326 10 0 FEAEHN CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)c(Cl)c1 ZINC000187385391 328021502 /nfs/dbraw/zinc/02/15/02/328021502.db2.gz DXJHAZBBAZIRHV-GFCCVEGCSA-N 0 3 353.850 2.228 10 0 FEAEHN COC(=O)Cn1cc(NC(=O)C2(C)CCN(Cc3ccccc3)CC2)cn1 ZINC000188523318 328092460 /nfs/dbraw/zinc/09/24/60/328092460.db2.gz OFUNHWMPKNZKGG-UHFFFAOYSA-N 0 3 370.453 2.297 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(OC)cc1OCCOC ZINC000188527708 328092936 /nfs/dbraw/zinc/09/29/36/328092936.db2.gz IRGTZRWRGWHOTL-HZPDHXFCSA-N 0 3 362.470 2.419 10 0 FEAEHN C[C@@H]1OCCC[C@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000188529794 328093093 /nfs/dbraw/zinc/09/30/93/328093093.db2.gz QMYKQXYSDHOEDQ-AZUAARDMSA-N 0 3 359.514 2.126 10 0 FEAEHN O=C(NC1CN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1)C1CCC1 ZINC000188563002 328095530 /nfs/dbraw/zinc/09/55/30/328095530.db2.gz BQRMLCGDWHZFEL-QGZVFWFLSA-N 0 3 373.472 2.165 10 0 FEAEHN CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2CCCO[C@H]2C)CC1 ZINC000188641718 328100879 /nfs/dbraw/zinc/10/08/79/328100879.db2.gz GMZNBQIKIKPFIP-PXNSSMCTSA-N 0 3 359.514 2.255 10 0 FEAEHN C[C@@H]1[NH2+]CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000189314853 328140725 /nfs/dbraw/zinc/14/07/25/328140725.db2.gz JNAVNABEYBXWFS-GZMMTYOYSA-N 0 3 351.241 2.007 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1-c1ncco1 ZINC000190109849 328188722 /nfs/dbraw/zinc/18/87/22/328188722.db2.gz MRWBFDNYQMARDS-HOCLYGCPSA-N 0 3 368.437 2.284 10 0 FEAEHN CCCN1CCCN(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)CC1=O ZINC000190235412 328195981 /nfs/dbraw/zinc/19/59/81/328195981.db2.gz RJGBZSSANQUTQD-KRWDZBQOSA-N 0 3 360.502 2.161 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(-c2cnco2)c1 ZINC000190345282 328201308 /nfs/dbraw/zinc/20/13/08/328201308.db2.gz ZQLTWYQDRJFAJB-DLBZAZTESA-N 0 3 368.437 2.365 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C)c(OC)c1C ZINC000190342249 328201480 /nfs/dbraw/zinc/20/14/80/328201480.db2.gz QGRAKHVDWWPPAN-HZPDHXFCSA-N 0 3 359.470 2.336 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(c2ccc3nnc(C(F)F)n3n2)C1 ZINC000190447274 328208227 /nfs/dbraw/zinc/20/82/27/328208227.db2.gz LEGPTPHZHRRYLT-AWEZNQCLSA-N 0 3 373.411 2.415 10 0 FEAEHN CCOC(=O)C(C)(C)C(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000190533473 328214390 /nfs/dbraw/zinc/21/43/90/328214390.db2.gz JJXNPZIKHIQBKN-AWEZNQCLSA-N 0 3 367.515 2.321 10 0 FEAEHN Cc1noc(C)c1CCNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190709045 328226612 /nfs/dbraw/zinc/22/66/12/328226612.db2.gz XHVLVHJDARCPLD-SFHVURJKSA-N 0 3 371.485 2.392 10 0 FEAEHN C[C@@H]1CN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCS1 ZINC000190737278 328229195 /nfs/dbraw/zinc/22/91/95/328229195.db2.gz HMVYSKHYYMKIFQ-SJLPKXTDSA-N 0 3 363.527 2.424 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ncc(C(C)C)s1 ZINC000190829995 328234792 /nfs/dbraw/zinc/23/47/92/328234792.db2.gz WVVDECGXVQDNPA-CHWSQXEVSA-N 0 3 350.488 2.290 10 0 FEAEHN CCOC[C@@H](NC(=O)N(C)C1CCN(CCn2cccn2)CC1)C(C)C ZINC000191774293 328281162 /nfs/dbraw/zinc/28/11/62/328281162.db2.gz RUXGXQMMVNECHU-GOSISDBHSA-N 0 3 365.522 2.050 10 0 FEAEHN CN(C(=O)CN[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1nccs1 ZINC000191915454 328288667 /nfs/dbraw/zinc/28/86/67/328288667.db2.gz KEOQJDDYMPVZPB-CHWSQXEVSA-N 0 3 368.503 2.389 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(Cl)c(OC)c1 ZINC000193075563 328355912 /nfs/dbraw/zinc/35/59/12/328355912.db2.gz PRRUQYXAKQUXKC-CYBMUJFWSA-N 0 3 353.850 2.230 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC000236924551 328498293 /nfs/dbraw/zinc/49/82/93/328498293.db2.gz XIUQYNDHZFYXDX-HNAYVOBHSA-N 0 3 358.486 2.285 10 0 FEAEHN Cc1cc(N2CCC[C@@H](NCc3ccc(-n4ccnc4)cc3)C2=O)n(C)n1 ZINC000080526841 325134687 /nfs/dbraw/zinc/13/46/87/325134687.db2.gz MXZMIAYSJNYSGV-GOSISDBHSA-N 0 3 364.453 2.199 10 0 FEAEHN COC(=O)c1cccc(OCCN2CCC(Nc3cccnn3)CC2)c1 ZINC000106079931 325576933 /nfs/dbraw/zinc/57/69/33/325576933.db2.gz UAFMYDMRVBPDHI-UHFFFAOYSA-N 0 3 356.426 2.219 10 0 FEAEHN CN(C)C[C@H]1CN(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)CCO1 ZINC000107304874 325624110 /nfs/dbraw/zinc/62/41/10/325624110.db2.gz PSRZCUNOGOFZAM-FPOVZHCZSA-N 0 3 359.514 2.297 10 0 FEAEHN COc1cc(OC)c(OC)cc1CN[C@H]1CCCN(c2cccnn2)C1 ZINC000109070740 325657791 /nfs/dbraw/zinc/65/77/91/325657791.db2.gz CURASIJJFXJGRY-HNNXBMFYSA-N 0 3 358.442 2.261 10 0 FEAEHN COc1ccc(CN[C@@H]2CCc3ncnn3C2)cc1OCc1cccnc1 ZINC000109072309 325658537 /nfs/dbraw/zinc/65/85/37/325658537.db2.gz QXVQCQAWARHKRV-QGZVFWFLSA-N 0 3 365.437 2.365 10 0 FEAEHN COc1cc(C(=O)N(C)C2CCN(CCn3cccn3)CC2)ccc1C ZINC000109291826 325663806 /nfs/dbraw/zinc/66/38/06/325663806.db2.gz DHOZWXPHHRVNAS-UHFFFAOYSA-N 0 3 356.470 2.437 10 0 FEAEHN Cc1ccc([C@H](CNc2cc(N3CCC[C@@H]3CO)ncn2)N(C)C)cc1 ZINC000110319292 325686419 /nfs/dbraw/zinc/68/64/19/325686419.db2.gz XURIFCCOHXFFGX-MSOLQXFVSA-N 0 3 355.486 2.461 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@H](C)C(=O)NCc1ccc(F)cc1)CC2 ZINC000112552088 325791271 /nfs/dbraw/zinc/79/12/71/325791271.db2.gz IHHWFYBOBHTGHJ-CJNGLKHVSA-N 0 3 359.449 2.150 10 0 FEAEHN Cc1ccccc1CNC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000114583666 325905002 /nfs/dbraw/zinc/90/50/02/325905002.db2.gz CQYYPTNUTOFGIF-UHFFFAOYSA-N 0 3 367.497 2.483 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCN([C@H](C)c2cccnc2)CC1 ZINC000114823731 325923994 /nfs/dbraw/zinc/92/39/94/325923994.db2.gz ABRCEZBBPPZNLB-IEBWSBKVSA-N 0 3 361.534 2.446 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)CC2 ZINC000114946211 325935733 /nfs/dbraw/zinc/93/57/33/325935733.db2.gz XXUBQRQBXAZYHY-IRXDYDNUSA-N 0 3 370.501 2.066 10 0 FEAEHN O=C(Cc1ccccc1O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000115157705 325943163 /nfs/dbraw/zinc/94/31/63/325943163.db2.gz BUTZOKBNTQZWPT-NRFANRHFSA-N 0 3 368.477 2.497 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CCO1 ZINC000116791062 326035896 /nfs/dbraw/zinc/03/58/96/326035896.db2.gz JWRVCOFLISGMID-OAGGEKHMSA-N 0 3 367.287 2.342 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)CCO1 ZINC000116797201 326036646 /nfs/dbraw/zinc/03/66/46/326036646.db2.gz OHHRBJGYELGCNQ-ZDUSSCGKSA-N 0 3 371.359 2.469 10 0 FEAEHN CC(C)N(C)c1ccc(NC(=O)N2CCO[C@@H](CN(C)C)C2)cc1F ZINC000118805557 326103642 /nfs/dbraw/zinc/10/36/42/326103642.db2.gz GKQASBDJBLMEFV-HNNXBMFYSA-N 0 3 352.454 2.465 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2ccc(N3CCCC3)c(F)c2)CCO1 ZINC000118808703 326104313 /nfs/dbraw/zinc/10/43/13/326104313.db2.gz FXRHHVXHBKTFHB-HNNXBMFYSA-N 0 3 350.438 2.220 10 0 FEAEHN Cc1cc(Cl)c(NC(=O)C(=O)N2CCO[C@@H](CN(C)C)C2)cc1Cl ZINC000119257105 326142085 /nfs/dbraw/zinc/14/20/85/326142085.db2.gz AOMLDCFJHNMUHI-NSHDSACASA-N 0 3 374.268 2.029 10 0 FEAEHN O=C(Cc1ccc(F)cc1F)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000119676139 326186897 /nfs/dbraw/zinc/18/68/97/326186897.db2.gz LLJUWKFIPZMEEP-SFHVURJKSA-N 0 3 360.404 2.043 10 0 FEAEHN COCCN1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000120853257 326293449 /nfs/dbraw/zinc/29/34/49/326293449.db2.gz ONWALGVKJUBZBW-HNNXBMFYSA-N 0 3 372.469 2.000 10 0 FEAEHN CC1(C)C[C@H](NC(=O)NC[C@H](O)CN2CCCCC2)c2ccccc2O1 ZINC000121068001 326310930 /nfs/dbraw/zinc/31/09/30/326310930.db2.gz JFIULZYEQXQRIV-RDJZCZTQSA-N 0 3 361.486 2.435 10 0 FEAEHN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000121220588 326322330 /nfs/dbraw/zinc/32/23/30/326322330.db2.gz WIMCDCCOPKJXDW-AWEZNQCLSA-N 0 3 367.877 2.337 10 0 FEAEHN CCc1nn(C)c(CC)c1CN1CCCN(Cc2cnn(CC)c2)CC1 ZINC000121654983 326355203 /nfs/dbraw/zinc/35/52/03/326355203.db2.gz MWKQJHLLHCRCBB-UHFFFAOYSA-N 0 3 358.534 2.469 10 0 FEAEHN COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000151569830 326685746 /nfs/dbraw/zinc/68/57/46/326685746.db2.gz DKUZHQBNHIIKHF-HNNXBMFYSA-N 0 3 371.441 2.135 10 0 FEAEHN C[C@@H](NC(=O)NC[C@H](O)CN1CCCCC1)c1ccccc1-n1cccn1 ZINC000154573563 326763727 /nfs/dbraw/zinc/76/37/27/326763727.db2.gz DDZQRYSWFASQLB-SJORKVTESA-N 0 3 371.485 2.079 10 0 FEAEHN CCC[C@@H](C(=O)NCCCN1CCN(c2cccc(C)c2)CC1)N(C)C ZINC000161526927 327002013 /nfs/dbraw/zinc/00/20/13/327002013.db2.gz ODANGQBACWMNDV-FQEVSTJZSA-N 0 3 360.546 2.354 10 0 FEAEHN C[C@@H](O)CN1CCN(Cc2cc3c(c(Br)c2)OCO3)C[C@H]1C ZINC000170936479 327108196 /nfs/dbraw/zinc/10/81/96/327108196.db2.gz MSORWJBWAQXYSZ-VXGBXAGGSA-N 0 3 371.275 2.065 10 0 FEAEHN COc1ccc([C@@H]2CCCN2C(=O)CN2CCN3CCC[C@@H]3C2)cc1OC ZINC000170958821 327110131 /nfs/dbraw/zinc/11/01/31/327110131.db2.gz QMUGMSPLBLNMBK-MSOLQXFVSA-N 0 3 373.497 2.147 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)C1 ZINC000171071348 327115862 /nfs/dbraw/zinc/11/58/62/327115862.db2.gz GFJLQIJYKGVJLH-CQSZACIVSA-N 0 3 352.866 2.344 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)C1 ZINC000171508329 327142902 /nfs/dbraw/zinc/14/29/02/327142902.db2.gz NLBKOKYZCVNXOX-LSDHHAIUSA-N 0 3 367.902 2.018 10 0 FEAEHN CN1C(=O)CC[C@@H](C(=O)NC2CCN(C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000171794077 327161836 /nfs/dbraw/zinc/16/18/36/327161836.db2.gz AUZQZFNXPAJFIE-QUCCMNQESA-N 0 3 355.482 2.339 10 0 FEAEHN CC(C)(C)OC(=O)NCc1nc(C(=O)N2CCN3CCC[C@H]3C2)cs1 ZINC000171804638 327162685 /nfs/dbraw/zinc/16/26/85/327162685.db2.gz HXSAWRWRDYJRHR-LBPRGKRZSA-N 0 3 366.487 2.088 10 0 FEAEHN CSCC[C@H](NC(=O)N1CCN2CCC[C@@H]2C1)c1nnc2ccccn21 ZINC000171899396 327168335 /nfs/dbraw/zinc/16/83/35/327168335.db2.gz TWBKUTDJUGXKKW-CABCVRRESA-N 0 3 374.514 2.013 10 0 FEAEHN O=C(NCc1ccc(N2CCCCC2=O)cc1)N1CCN2CCC[C@H]2C1 ZINC000171903942 327169086 /nfs/dbraw/zinc/16/90/86/327169086.db2.gz IHKHFNRXWJWKTE-SFHVURJKSA-N 0 3 356.470 2.193 10 0 FEAEHN COc1ccccc1N1CCC(NC(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000171905474 327169299 /nfs/dbraw/zinc/16/92/99/327169299.db2.gz DDSCVOCBMFBPMN-KRWDZBQOSA-N 0 3 358.486 2.154 10 0 FEAEHN CN(C(=O)c1cnc2ccccc2n1)C1CCN(CCn2cccn2)CC1 ZINC000171934332 327171329 /nfs/dbraw/zinc/17/13/29/327171329.db2.gz UWWGBBHUXYMHEL-UHFFFAOYSA-N 0 3 364.453 2.063 10 0 FEAEHN C[C@H](C(=O)N1CCO[C@H](CN(C)C)C1)c1ccc(Br)s1 ZINC000173521786 327263334 /nfs/dbraw/zinc/26/33/34/327263334.db2.gz ULGLYCCJFJVDOV-WDEREUQCSA-N 0 3 361.305 2.403 10 0 FEAEHN CNc1cc(N2CCC[C@@H]2CN[C@H](C)C(=O)Nc2ccccc2)ncn1 ZINC000174286423 327317325 /nfs/dbraw/zinc/31/73/25/327317325.db2.gz XMEGRPHVZLHPOF-GDBMZVCRSA-N 0 3 354.458 2.104 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000174583580 327336274 /nfs/dbraw/zinc/33/62/74/327336274.db2.gz CLUNAGKCKXNDAF-AWEZNQCLSA-N 0 3 373.844 2.158 10 0 FEAEHN Cc1nc2n(n1)CCC[C@H]2NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000175881448 327419426 /nfs/dbraw/zinc/41/94/26/327419426.db2.gz LQBYAZCCCBFBSX-QGZVFWFLSA-N 0 3 374.464 2.334 10 0 FEAEHN CCO[C@@H](CCNC(=O)NC[C@@H](O)CN1CCCCC1)C1CCCC1 ZINC000176508925 327460241 /nfs/dbraw/zinc/46/02/41/327460241.db2.gz USLMENUHTWBXSO-MSOLQXFVSA-N 0 3 355.523 2.118 10 0 FEAEHN O=C(NC1CCN(Cc2ccccc2)CC1)N[C@@H]1CCCn2ncnc21 ZINC000176832176 327478657 /nfs/dbraw/zinc/47/86/57/327478657.db2.gz PIMKIGRATGTLCV-QGZVFWFLSA-N 0 3 354.458 2.077 10 0 FEAEHN C[C@@H](NC(=O)CN1CCO[C@@H](CN(C)C)C1)c1ccc(Cl)c(Cl)c1 ZINC000246331352 328608771 /nfs/dbraw/zinc/60/87/71/328608771.db2.gz LBSJPSRXFJEPBU-OCCSQVGLSA-N 0 3 374.312 2.433 10 0 FEAEHN CCO[C@@H]1C[C@@H](NC(=O)N[C@H](C)CN2CCCCC2)C12CCOCC2 ZINC000248675723 328734770 /nfs/dbraw/zinc/73/47/70/328734770.db2.gz CVCYQFGGTSUUKJ-BRWVUGGUSA-N 0 3 353.507 2.134 10 0 FEAEHN C[C@@H](NC(=O)C1(N)CCOCC1)c1cccc(OCc2ccccn2)c1 ZINC000261896074 328827852 /nfs/dbraw/zinc/82/78/52/328827852.db2.gz RCHKRJFZOVGVTQ-OAHLLOKOSA-N 0 3 355.438 2.346 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(Cc2csc(Cc3ccc(F)cc3)n2)n1 ZINC000263277542 328929990 /nfs/dbraw/zinc/92/99/90/328929990.db2.gz TUGAYOONJYBXNG-OAHLLOKOSA-N 0 3 373.457 2.423 10 0 FEAEHN CN1CCNC[C@H]1c1noc(CCc2cc(Br)cs2)n1 ZINC000263314662 328932440 /nfs/dbraw/zinc/93/24/40/328932440.db2.gz ZHJLDKQRLVZDKL-NSHDSACASA-N 0 3 357.277 2.255 10 0 FEAEHN CN1CCN(CCC(=O)NCc2cccnc2Oc2ccccc2)CC1 ZINC000019837949 523894567 /nfs/dbraw/zinc/89/45/67/523894567.db2.gz JYLXIJKBFQLLFG-UHFFFAOYSA-N 0 3 354.454 2.128 10 0 FEAEHN C[C@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)c1cccc(N2CCCC2)c1 ZINC000155298287 545507433 /nfs/dbraw/zinc/50/74/33/545507433.db2.gz ISJKIIUBQDWVNU-LPHOPBHVSA-N 0 3 360.502 2.320 10 0 FEAEHN C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000155425139 545524217 /nfs/dbraw/zinc/52/42/17/545524217.db2.gz UTCVJFMMNYVLRE-BBRMVZONSA-N 0 3 369.303 2.417 10 0 FEAEHN C[C@H]1CC[C@H](C(=O)Nc2ccc(NC(=O)NC3CCN(C)CC3)cc2)O1 ZINC000155627227 545550986 /nfs/dbraw/zinc/55/09/86/545550986.db2.gz LZUAZNGKJVHPBM-SUMWQHHRSA-N 0 3 360.458 2.408 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)N1CCC[C@H]1C(=O)NC)c1ccsc1 ZINC000155811765 545572490 /nfs/dbraw/zinc/57/24/90/545572490.db2.gz RIQLNVQRMRNNNV-GJZGRUSLSA-N 0 3 352.504 2.051 10 0 FEAEHN C[C@@H](O)CN1CCN(CCc2nc(-c3ccc(Cl)cc3)no2)C[C@@H]1C ZINC000157942645 545803712 /nfs/dbraw/zinc/80/37/12/545803712.db2.gz NOASRDXTSRDMOB-UONOGXRCSA-N 0 3 364.877 2.319 10 0 FEAEHN Cc1ccc(NC(=O)N[C@H]2CCCn3ncnc32)c(OCCN(C)C)c1 ZINC000176012585 546390355 /nfs/dbraw/zinc/39/03/55/546390355.db2.gz YUXUFJFTNLERJE-HNNXBMFYSA-N 0 3 358.446 2.184 10 0 FEAEHN COc1ccccc1C[C@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)C(C)C ZINC000176175049 546416837 /nfs/dbraw/zinc/41/68/37/546416837.db2.gz KTUJEUNVIYYAGL-ROUUACIJSA-N 0 3 363.502 2.234 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCCNC(=O)c1ccccc1Cl ZINC000176191970 546418226 /nfs/dbraw/zinc/41/82/26/546418226.db2.gz NYZHHSNWGXTBFV-AWEZNQCLSA-N 0 3 366.893 2.196 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 ZINC000176290189 546427382 /nfs/dbraw/zinc/42/73/82/546427382.db2.gz OCWYAOIEOQJILE-KRWDZBQOSA-N 0 3 372.469 2.284 10 0 FEAEHN O=C(NC[C@@H](c1cccs1)N1CCCC1)N[C@H]1CCCn2ncnc21 ZINC000176351933 546435455 /nfs/dbraw/zinc/43/54/55/546435455.db2.gz XAQSZSAXGFDWTE-KBPBESRZSA-N 0 3 360.487 2.311 10 0 FEAEHN O=C(NC[C@H]1CCCN(Cc2cccs2)C1)N[C@@H]1CCCn2ncnc21 ZINC000176467709 546450868 /nfs/dbraw/zinc/45/08/68/546450868.db2.gz ZZJVHUMKAPJFLI-GDBMZVCRSA-N 0 3 374.514 2.386 10 0 FEAEHN CC(C)c1nc([C@@H]2CCCN2C(=O)Nc2ccn(CCN(C)C)n2)no1 ZINC000177071870 546539447 /nfs/dbraw/zinc/53/94/47/546539447.db2.gz WLYPSAGUBFAYPL-ZDUSSCGKSA-N 0 3 361.450 2.320 10 0 FEAEHN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CCN3CCC[C@@H]3C1)CC2 ZINC000177102068 546544973 /nfs/dbraw/zinc/54/49/73/546544973.db2.gz FSGFQTBZXHLCOZ-CHWSQXEVSA-N 0 3 368.403 2.215 10 0 FEAEHN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@H]1CCCN(CC)C1 ZINC000177311619 546592309 /nfs/dbraw/zinc/59/23/09/546592309.db2.gz BCAYKEYBZFGUFW-HNNXBMFYSA-N 0 3 362.474 2.393 10 0 FEAEHN CCC(CC)[C@H](CNC(=O)N(C)C[C@H]1CCCN1CC)N1CCOCC1 ZINC000177344731 546597977 /nfs/dbraw/zinc/59/79/77/546597977.db2.gz SDFAQGQOQOGGAO-MOPGFXCFSA-N 0 3 368.566 2.249 10 0 FEAEHN O=C(Nc1ccc(OC2CCCC2)cc1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177680601 546666299 /nfs/dbraw/zinc/66/62/99/546666299.db2.gz NDKFNWFGDUJOTC-INIZCTEOSA-N 0 3 357.454 2.253 10 0 FEAEHN Cc1cc(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)ccc1C(F)(F)F ZINC000177686907 546667083 /nfs/dbraw/zinc/66/70/83/546667083.db2.gz TZEBYWVBRZQGPR-CYBMUJFWSA-N 0 3 355.360 2.259 10 0 FEAEHN O=C(Nc1cccc(SC(F)F)c1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177691966 546668613 /nfs/dbraw/zinc/66/86/13/546668613.db2.gz UHTUHHATPDBLNB-GFCCVEGCSA-N 0 3 355.410 2.246 10 0 FEAEHN CCN1CCC[C@H]1CN(C)[C@@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000177704934 546671765 /nfs/dbraw/zinc/67/17/65/546671765.db2.gz CWNYMIHTWLBXHE-ROUUACIJSA-N 0 3 374.529 2.163 10 0 FEAEHN CCc1ccccc1Nc1nc(N)nc(CN2CCN3CCCC[C@@H]3C2)n1 ZINC000177755267 546681097 /nfs/dbraw/zinc/68/10/97/546681097.db2.gz BLRYPWKKZPXKCL-MRXNPFEDSA-N 0 3 367.501 2.430 10 0 FEAEHN O=C(Cc1coc2cc3c(cc12)CCC3)NC[C@H](O)CN1CCCCC1 ZINC000178518215 546806239 /nfs/dbraw/zinc/80/62/39/546806239.db2.gz USMOQSJIAIDERX-SFHVURJKSA-N 0 3 356.466 2.427 10 0 FEAEHN COC(=O)c1ccc(C)c(NC(=O)CN2CCC[C@H]2Cn2ccnc2C)c1 ZINC000178752949 546844068 /nfs/dbraw/zinc/84/40/68/546844068.db2.gz XNFMEVDHGSCJFK-KRWDZBQOSA-N 0 3 370.453 2.390 10 0 FEAEHN COc1cc(Br)c(S(=O)(=O)[N-]CC[C@@H](C)[NH3+])cc1Cl ZINC000178913824 546873262 /nfs/dbraw/zinc/87/32/62/546873262.db2.gz CGLXKRYCDGZGAS-SSDOTTSWSA-N 0 3 371.684 2.127 10 0 FEAEHN COc1ccc(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1OC(F)F ZINC000180230561 547070234 /nfs/dbraw/zinc/07/02/34/547070234.db2.gz QEGLJYHNYJNSSD-ZFWWWQNUSA-N 0 3 356.413 2.449 10 0 FEAEHN Cc1ccc(N2CCCN(CCC(=O)OCc3ccccc3)CC2)nn1 ZINC000181450510 547317274 /nfs/dbraw/zinc/31/72/74/547317274.db2.gz YEDGOSGRZFYZLJ-UHFFFAOYSA-N 0 3 354.454 2.431 10 0 FEAEHN CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000182278729 547466177 /nfs/dbraw/zinc/46/61/77/547466177.db2.gz NVCZGSTZEHEMFT-HUUCEWRRSA-N 0 3 364.456 2.386 10 0 FEAEHN CN(CCCN1CCN(C)CC1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000182955830 547578929 /nfs/dbraw/zinc/57/89/29/547578929.db2.gz KJUUMVCJTMXUFG-SFHVURJKSA-N 0 3 364.921 2.402 10 0 FEAEHN Cc1ccc([C@H](C)NC(=O)N(C)CCCN2CCN(C)CC2)cc1F ZINC000183268465 547630870 /nfs/dbraw/zinc/63/08/70/547630870.db2.gz CMZMQZDLKVBXAU-INIZCTEOSA-N 0 3 350.482 2.474 10 0 FEAEHN CCCCOc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cn1 ZINC000185039149 547921775 /nfs/dbraw/zinc/92/17/75/547921775.db2.gz PUSODCPBNLVPCC-GOEBONIOSA-N 0 3 362.474 2.044 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)N(CCN(C)C)CC(C)C)C12CCOCC2 ZINC000185679130 548017885 /nfs/dbraw/zinc/01/78/85/548017885.db2.gz NYMSZXFNSXZWAW-DLBZAZTESA-N 0 3 355.523 2.190 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1nc2cc(OC)ccc2n1C ZINC000186079350 548081429 /nfs/dbraw/zinc/08/14/29/548081429.db2.gz CHSBPXQLIVBKQJ-CQSZACIVSA-N 0 3 359.474 2.208 10 0 FEAEHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@H]1c1ccco1 ZINC000186620864 548160016 /nfs/dbraw/zinc/16/00/16/548160016.db2.gz UJKLDVOBQWFIEW-HNNXBMFYSA-N 0 3 366.487 2.180 10 0 FEAEHN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N(C)CCN(C)C1CC1 ZINC000186769130 548189056 /nfs/dbraw/zinc/18/90/56/548189056.db2.gz GFASIIYTJRKSFO-QGZVFWFLSA-N 0 3 367.440 2.272 10 0 FEAEHN CN(C)C1(CN(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CCC1 ZINC000187013590 548240825 /nfs/dbraw/zinc/24/08/25/548240825.db2.gz UYNDRBWJBLFQAW-FUHWJXTLSA-N 0 3 361.461 2.288 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Nc2cc(C(C)C)nn2-c2ncccn2)C1 ZINC000190040982 548316151 /nfs/dbraw/zinc/31/61/51/548316151.db2.gz AYLAMMYGGMQKOW-AWEZNQCLSA-N 0 3 357.462 2.392 10 0 FEAEHN COc1cc(CN2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)ccc1C ZINC000193901710 548403445 /nfs/dbraw/zinc/40/34/45/548403445.db2.gz ROCUPEMDQLSJJF-FQEVSTJZSA-N 0 3 361.530 2.230 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)C1 ZINC000194174507 548445945 /nfs/dbraw/zinc/44/59/45/548445945.db2.gz CMUAXQDBYREXCC-INIZCTEOSA-N 0 3 374.485 2.237 10 0 FEAEHN CCOc1ccccc1N1CCN(C(=O)N[C@@H]2CCCN(CC)C2)CC1 ZINC000194174690 548445982 /nfs/dbraw/zinc/44/59/82/548445982.db2.gz FJYIDRRLAHMGQY-QGZVFWFLSA-N 0 3 360.502 2.401 10 0 FEAEHN CCN(CC)C(=O)[C@H](C)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000195258453 548605393 /nfs/dbraw/zinc/60/53/93/548605393.db2.gz YQVAOZQBJYCZTM-JKSUJKDBSA-N 0 3 352.548 2.462 10 0 FEAEHN Cc1ccc(CNC(=O)CN2CC[C@@H](CN(C)Cc3cccnc3)C2)cc1 ZINC000195272878 548609685 /nfs/dbraw/zinc/60/96/85/548609685.db2.gz NGZUCPJVOOWCFB-NRFANRHFSA-N 0 3 366.509 2.460 10 0 FEAEHN COC(=O)[C@H](c1cccnc1)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195274439 548609918 /nfs/dbraw/zinc/60/99/18/548609918.db2.gz FFDOBNFKGVRVJC-HKUYNNGSSA-N 0 3 354.454 2.145 10 0 FEAEHN C[C@@H](C(=O)Nc1nccs1)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195295639 548614928 /nfs/dbraw/zinc/61/49/28/548614928.db2.gz FWTHNLOJGYUWLU-GOEBONIOSA-N 0 3 359.499 2.319 10 0 FEAEHN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N3CCN4CCC[C@@H]4C3)C2)c1 ZINC000195334580 548627540 /nfs/dbraw/zinc/62/75/40/548627540.db2.gz CLFAEGPDMDCLDI-UYAOXDASSA-N 0 3 369.509 2.462 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000245437205 548920531 /nfs/dbraw/zinc/92/05/31/548920531.db2.gz WEZFFCMYYMIJRC-NVXWUHKLSA-N 0 3 363.527 2.224 10 0 FEAEHN C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CCN1C ZINC000245607094 548957453 /nfs/dbraw/zinc/95/74/53/548957453.db2.gz AKGNYZVMORGIRQ-UEILYKACSA-N 0 3 361.461 2.286 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cncc(I)c2)C1 ZINC000245623421 548960865 /nfs/dbraw/zinc/96/08/65/548960865.db2.gz CBEIWNBGVIYSML-GXFFZTMASA-N 0 3 373.238 2.145 10 0 FEAEHN C[C@@H](NC(=O)N[C@@H](C)CN(C)Cc1ccccc1)c1nnc2n1CCCC2 ZINC000245844420 549002898 /nfs/dbraw/zinc/00/28/98/549002898.db2.gz KUVQZBADDAGAKB-JKSUJKDBSA-N 0 3 370.501 2.495 10 0 FEAEHN CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCN3CCC[C@H]3C2)nc1 ZINC000246053261 549042044 /nfs/dbraw/zinc/04/20/44/549042044.db2.gz DQILOWGTFNQULM-INIZCTEOSA-N 0 3 366.531 2.174 10 0 FEAEHN CCOc1ccc(OC[C@H](O)CN2CCC[C@@H](c3nncn3CC)C2)cc1 ZINC000246149091 549063712 /nfs/dbraw/zinc/06/37/12/549063712.db2.gz PFRANBFZQADUGC-IAGOWNOFSA-N 0 3 374.485 2.316 10 0 FEAEHN CCN(Cc1ccccc1)C(=O)[C@H](C)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246185397 549071687 /nfs/dbraw/zinc/07/16/87/549071687.db2.gz UQNZXRTUPVGBRY-WSTZPKSXSA-N 0 3 359.514 2.076 10 0 FEAEHN COc1ccccc1COC[C@H](O)CN1CCC[C@H](n2cc(C)cn2)C1 ZINC000246280251 549096394 /nfs/dbraw/zinc/09/63/94/549096394.db2.gz HSSBAODMWZRXRA-RBUKOAKNSA-N 0 3 359.470 2.415 10 0 FEAEHN C[C@H](CNC(=O)N1CCN2CCCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000246360679 549113574 /nfs/dbraw/zinc/11/35/74/549113574.db2.gz FCZCDNIKXZFHAK-XLIONFOSSA-N 0 3 356.514 2.313 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cc(I)c[nH]2)C1 ZINC000246965174 549252710 /nfs/dbraw/zinc/25/27/10/549252710.db2.gz FWSFCPPKTYBFFO-BXKDBHETSA-N 0 3 361.227 2.078 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1[C@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000247115340 549285634 /nfs/dbraw/zinc/28/56/34/549285634.db2.gz RKAFRKQFAJUTNZ-RHSMWYFYSA-N 0 3 355.442 2.393 10 0 FEAEHN Cc1ccccc1CCNC(=O)[C@H](C)N1CCC[C@@H](Cn2cncn2)C1 ZINC000247596966 549364709 /nfs/dbraw/zinc/36/47/09/549364709.db2.gz KJMOSMHGNWCETA-ZWKOTPCHSA-N 0 3 355.486 2.046 10 0 FEAEHN O[C@H](CNC[C@H](O)[C@H]1CCc2ccccc2O1)[C@H]1CCc2ccccc2O1 ZINC000247745131 549376549 /nfs/dbraw/zinc/37/65/49/549376549.db2.gz QSCYKSXNGYFRFZ-GMQQQROESA-N 0 3 369.461 2.085 10 0 FEAEHN C[C@H](N[C@H](CO)c1ccccc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000248461302 549444334 /nfs/dbraw/zinc/44/43/34/549444334.db2.gz XHSWIYAXYUGLHW-IOMROCGXSA-N 0 3 367.493 2.089 10 0 FEAEHN Cc1ccc(CN2CCCN(C(=O)CN[C@H](C)[C@H]3CCCO3)CC2)cc1 ZINC000248595292 549465095 /nfs/dbraw/zinc/46/50/95/549465095.db2.gz MFWGPXXBBUWAQP-UYAOXDASSA-N 0 3 359.514 2.186 10 0 FEAEHN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)C1 ZINC000248633714 549473233 /nfs/dbraw/zinc/47/32/33/549473233.db2.gz JCARJPODGBTSCK-ULQDDVLXSA-N 0 3 353.507 2.478 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN([C@H](C)C(=O)Nc2ncccn2)C1 ZINC000248653856 549477463 /nfs/dbraw/zinc/47/74/63/549477463.db2.gz OXKNHKOPMRTLOK-HUUCEWRRSA-N 0 3 374.514 2.022 10 0 FEAEHN C[C@H](NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCCO1 ZINC000248671378 549481273 /nfs/dbraw/zinc/48/12/73/549481273.db2.gz QTEFXYMDOUPXQZ-WDSOQIARSA-N 0 3 361.486 2.144 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000249128505 549556650 /nfs/dbraw/zinc/55/66/50/549556650.db2.gz CSHZVFPVDCJIBT-MSOLQXFVSA-N 0 3 364.511 2.052 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000249190187 549567104 /nfs/dbraw/zinc/56/71/04/549567104.db2.gz PCSQXTOVZBHKCP-ZFWWWQNUSA-N 0 3 370.478 2.444 10 0 FEAEHN CC1CCN([C@H](CNC(=O)[C@H](N)C2CCOCC2)c2cccs2)CC1 ZINC000261628813 549736305 /nfs/dbraw/zinc/73/63/05/549736305.db2.gz CTOQAONIHDCARQ-SJLPKXTDSA-N 0 3 365.543 2.391 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2c(C)cc[nH]c2=O)C1 ZINC000190533761 571112812 /nfs/dbraw/zinc/11/28/12/571112812.db2.gz LPXPBNHMFJLEOR-CQSZACIVSA-N 0 3 360.483 2.455 10 0 FEAEHN Cc1cnc(=S)n(CN2CCN(c3ccc(CN(C)C)cn3)CC2)c1 ZINC000133041419 672105645 /nfs/dbraw/zinc/10/56/45/672105645.db2.gz CLDFXUUQRCVTOP-UHFFFAOYSA-N 0 3 358.515 2.157 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)C1 ZINC000175207759 672366046 /nfs/dbraw/zinc/36/60/46/672366046.db2.gz PZNKLOZANZTPEY-CQSZACIVSA-N 0 3 360.426 2.038 10 0 FEAEHN CC[C@H](O)CN1CCN(C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195169677 672777709 /nfs/dbraw/zinc/77/77/09/672777709.db2.gz VZPOJTMYKGLQFU-QFBILLFUSA-N 0 3 355.523 2.022 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)C1 ZINC000245686759 672823355 /nfs/dbraw/zinc/82/33/55/672823355.db2.gz NUNSFPBEVGDYKD-HUUCEWRRSA-N 0 3 354.495 2.073 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000246128507 672831100 /nfs/dbraw/zinc/83/11/00/672831100.db2.gz IUEBQIDAULEWTJ-CABCVRRESA-N 0 3 354.495 2.169 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1 ZINC000246980995 672844923 /nfs/dbraw/zinc/84/49/23/672844923.db2.gz QJZJMLMILLZYPN-KBXCAEBGSA-N 0 3 357.470 2.278 10 0 FEAEHN C[C@H](NC(=O)NC[C@@H](O)CN1CCCCC1)c1cccc(OC(F)F)c1 ZINC000049174759 540383563 /nfs/dbraw/zinc/38/35/63/540383563.db2.gz PBSBDMZDUNNQCZ-DZGCQCFKSA-N 0 3 371.428 2.495 10 0 FEAEHN COc1ccc([C@@H](C)NC(=O)NC[C@H](O)CN2CCCCC2)cc1F ZINC000049174572 540383611 /nfs/dbraw/zinc/38/36/11/540383611.db2.gz KBIVJSNIXXEHKF-HIFRSBDPSA-N 0 3 353.438 2.041 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)C1 ZINC000052592312 540476430 /nfs/dbraw/zinc/47/64/30/540476430.db2.gz NZVMRPPDYNJAED-IRXDYDNUSA-N 0 3 373.501 2.234 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)C1 ZINC000052593746 540476534 /nfs/dbraw/zinc/47/65/34/540476534.db2.gz LDGREXPTZDKSJQ-KRWDZBQOSA-N 0 3 373.501 2.234 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC(NC(=O)c3ccsc3)CC2)C1 ZINC000056752902 540742603 /nfs/dbraw/zinc/74/26/03/540742603.db2.gz XPQGPNIQCGFOJN-INIZCTEOSA-N 0 3 364.515 2.136 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NCc2ccn(-c3ccc(OC)cc3)n2)C1 ZINC000056822368 540748052 /nfs/dbraw/zinc/74/80/52/540748052.db2.gz UMCPCZLYPJPKNR-MRXNPFEDSA-N 0 3 357.458 2.164 10 0 FEAEHN CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O[C@@H](C)C(C)=O ZINC000001851920 204020889 /nfs/dbraw/zinc/02/08/89/204020889.db2.gz ZYOJXUNLLOBURP-LBPRGKRZSA-N 0 3 355.866 2.350 10 0 in-man FEAEHN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](N1CCCCC1)C2 ZINC000014530379 204582475 /nfs/dbraw/zinc/58/24/75/204582475.db2.gz YETZQFFVEPVMEV-QGZVFWFLSA-N 0 3 374.529 2.355 10 0 FEAEHN C[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccc2ccccc2c1 ZINC000074169266 542047882 /nfs/dbraw/zinc/04/78/82/542047882.db2.gz POALGQQHOZPYRB-KXBFYZLASA-N 0 3 353.466 2.427 10 0 FEAEHN O=c1c2sccc2nc(N2CCNCC2)n1Cc1cc(F)ccc1F ZINC000057344426 132376374 /nfs/dbraw/zinc/37/63/74/132376374.db2.gz RMNDWHUNCXMEOH-UHFFFAOYSA-N 0 3 362.405 2.194 10 0 FEAEHN Cc1ccc(N)cc1-n1cnc2ccc(N3CCCN(C)CC3)cc2c1=O ZINC000095917776 542982962 /nfs/dbraw/zinc/98/29/62/542982962.db2.gz BCBOIHTUHDYREE-UHFFFAOYSA-N 0 3 363.465 2.418 10 0 FEAEHN CCCC(=O)N[C@H]1CCCN(CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000101564496 543033350 /nfs/dbraw/zinc/03/33/50/543033350.db2.gz UXDDNIXHCNUKEX-INIZCTEOSA-N 0 3 371.481 2.444 10 0 FEAEHN CCCC(=O)N[C@@H]1CCCN(C[C@H](O)COCc2ccccc2F)C1 ZINC000101733473 543042812 /nfs/dbraw/zinc/04/28/12/543042812.db2.gz GRZBNJYDTBLXKA-SJORKVTESA-N 0 3 352.450 2.084 10 0 FEAEHN Cc1cccc(OCCN2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)c1 ZINC000106123746 543203522 /nfs/dbraw/zinc/20/35/22/543203522.db2.gz REENLJMPJMTNBI-OAQYLSRUSA-N 0 3 361.530 2.101 10 0 FEAEHN CC(C)n1ccnc1CS(=O)(=O)C(C)C(=O)NCc1ccc(F)cc1 ZINC000107075556 543261311 /nfs/dbraw/zinc/26/13/11/543261311.db2.gz XUAMFNYPQGCWGO-ZDUSSCGKSA-N 0 3 367.446 2.223 10 0 FEAEHN C[C@H](N[C@@H]1CCc2ncnn2C1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000107304265 543265278 /nfs/dbraw/zinc/26/52/78/543265278.db2.gz NOCJVDVQZIHWGN-KCQAQPDRSA-N 0 3 353.426 2.195 10 0 FEAEHN CCN1CCN(C[C@H](C)CNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000109151435 543316340 /nfs/dbraw/zinc/31/63/40/543316340.db2.gz ATBNTAAFWIDIQM-OIISXLGYSA-N 0 3 365.468 2.458 10 0 FEAEHN CN(C(=O)NC[C@H]1Cc2ccccc21)C1CCN(CCn2cccn2)CC1 ZINC000109395796 543323176 /nfs/dbraw/zinc/32/31/76/543323176.db2.gz KZMIIAVXEFOPGG-GOSISDBHSA-N 0 3 367.497 2.329 10 0 FEAEHN CCn1cc(CN2CCCN(C(=O)c3ccc(CN(C)C)cc3)CC2)cn1 ZINC000109662950 543333290 /nfs/dbraw/zinc/33/32/90/543333290.db2.gz KUJOHZGPUMBZAR-UHFFFAOYSA-N 0 3 369.513 2.313 10 0 FEAEHN C[C@H](CNc1cc(N2CCC[C@@H]2CO)ncn1)N(C)Cc1ccccc1 ZINC000110594857 543362140 /nfs/dbraw/zinc/36/21/40/543362140.db2.gz DWGATOJKMPOAQB-SJLPKXTDSA-N 0 3 355.486 2.370 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@H](C)C(=O)Nc1cccc(SC)c1)CC2 ZINC000112551139 543451416 /nfs/dbraw/zinc/45/14/16/543451416.db2.gz AFUWFWBAVLZRHN-OCCSQVGLSA-N 0 3 359.499 2.494 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)N(C)Cc1ccccc1C)CC2 ZINC000112551172 543451516 /nfs/dbraw/zinc/45/15/16/543451516.db2.gz YERIHSLPGUXICR-RDJZCZTQSA-N 0 3 355.486 2.100 10 0 FEAEHN C[C@@H](O)CN1CCC(CN(C)C(=O)C(=O)c2ccc(Cl)cc2)CC1 ZINC000112712098 543459349 /nfs/dbraw/zinc/45/93/49/543459349.db2.gz MWNAUHDXYJIDHB-CYBMUJFWSA-N 0 3 352.862 2.074 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)N[C@H]1CCc2ncnn2C1)c1ccsc1 ZINC000112742932 543462556 /nfs/dbraw/zinc/46/25/56/543462556.db2.gz BUAPGMNDSPXPQZ-GJZGRUSLSA-N 0 3 362.503 2.037 10 0 FEAEHN Cc1nc(COc2ccccc2C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)no1 ZINC000113231900 543478716 /nfs/dbraw/zinc/47/87/16/543478716.db2.gz MVHQCFAVQNDNBJ-ZFWWWQNUSA-N 0 3 356.426 2.266 10 0 FEAEHN CCC(CC)(CO)CNCc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000120485806 543680687 /nfs/dbraw/zinc/68/06/87/543680687.db2.gz DHCYRSGZRFNGDI-UHFFFAOYSA-N 0 3 352.523 2.268 10 0 FEAEHN CCC[C@H](C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1)N(C)C ZINC000127761865 544012132 /nfs/dbraw/zinc/01/21/32/544012132.db2.gz OMAGSBXMOQEDHS-MRXNPFEDSA-N 0 3 369.868 2.494 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)N2CCCN(C(=O)c3ccccc3)CC2)[C@@H](C)C1 ZINC000132161960 544221735 /nfs/dbraw/zinc/22/17/35/544221735.db2.gz YEYHFANPUANXSJ-HKUYNNGSSA-N 0 3 372.513 2.273 10 0 FEAEHN CCCCCNC(=O)C1CCN(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)CC1 ZINC000132534115 544234782 /nfs/dbraw/zinc/23/47/82/544234782.db2.gz DRNGLYIPQNVWEB-FUHWJXTLSA-N 0 3 366.550 2.443 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccccc1N(C)S(C)(=O)=O ZINC000136241691 544369804 /nfs/dbraw/zinc/36/98/04/544369804.db2.gz IZCIKAXHPXXCCP-CQSZACIVSA-N 0 3 368.503 2.030 10 0 FEAEHN COc1ccc(Cl)cc1NC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000150775653 544469576 /nfs/dbraw/zinc/46/95/76/544469576.db2.gz DBTVPOYADJGTSD-RISCZKNCSA-N 0 3 353.850 2.132 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000150784049 544470233 /nfs/dbraw/zinc/47/02/33/544470233.db2.gz DEVJMLLZIVCGLZ-AAEUAGOBSA-N 0 3 373.375 2.369 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(F)cc2OC(F)F)[C@@H](C)C1 ZINC000150789066 544471164 /nfs/dbraw/zinc/47/11/64/544471164.db2.gz DADPAXMPGFFOES-GWCFXTLKSA-N 0 3 373.375 2.211 10 0 FEAEHN COc1ccccc1C(=O)N[C@H](C(=O)N(C)[C@@H]1CCCN(C)C1)C(C)C ZINC000151095148 544503847 /nfs/dbraw/zinc/50/38/47/544503847.db2.gz RUINOOGIBLCTDJ-QAPCUYQASA-N 0 3 361.486 2.002 10 0 FEAEHN CCCS(=O)(=O)Nc1ccc(NC(=O)N[C@H]2CCCN(CC)C2)cc1 ZINC000151760058 544576034 /nfs/dbraw/zinc/57/60/34/544576034.db2.gz XOHSOHWBJJJVOA-INIZCTEOSA-N 0 3 368.503 2.444 10 0 FEAEHN O[C@@H](COCc1ccccc1)CN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152260721 544631606 /nfs/dbraw/zinc/63/16/06/544631606.db2.gz ONRRIJZKMHOCMA-ZWKOTPCHSA-N 0 3 356.470 2.439 10 0 FEAEHN C[C@H](NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000154504572 544914374 /nfs/dbraw/zinc/91/43/74/544914374.db2.gz BTPUEUFCHOCZPD-YDHLFZDLSA-N 0 3 365.499 2.076 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCC(C)(C)N1CCCCC1)CC2 ZINC000155259380 545006118 /nfs/dbraw/zinc/00/61/18/545006118.db2.gz OZFOSCUMCXFWRI-HNNXBMFYSA-N 0 3 362.522 2.280 10 0 FEAEHN Cc1sc2ncc(C(=O)N[C@@H](CN(C)C)c3ccccc3)c(=O)n2c1C ZINC000179612763 327652081 /nfs/dbraw/zinc/65/20/81/327652081.db2.gz YQDMXWWUBXGOJP-INIZCTEOSA-N 0 3 370.478 2.406 10 0 FEAEHN CN(C)C(=O)CC1CCN(C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000182236370 327767102 /nfs/dbraw/zinc/76/71/02/327767102.db2.gz JGSKLUUQOLDVOZ-GOSISDBHSA-N 0 3 368.905 2.408 10 0 FEAEHN COC[C@@H](Cc1ccccc1)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182355977 327771774 /nfs/dbraw/zinc/77/17/74/327771774.db2.gz RCDVLMRNGUZPLN-QZTJIDSGSA-N 0 3 356.470 2.071 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)CCc2cc(F)ccc2Br)CCO1 ZINC000182444618 327775885 /nfs/dbraw/zinc/77/58/85/327775885.db2.gz CAKKXGYRCMMXKS-AWEZNQCLSA-N 0 3 373.266 2.310 10 0 FEAEHN Cc1nn(-c2ccccc2)cc1NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000183527323 327822556 /nfs/dbraw/zinc/82/25/56/327822556.db2.gz BHBMCKFYIWBWPJ-MRXNPFEDSA-N 0 3 371.485 2.212 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)N(CCN(C)C)C2CCCC2)C12CCOCC2 ZINC000185683498 327927638 /nfs/dbraw/zinc/92/76/38/327927638.db2.gz KTVWGZILUKKVTB-ZWKOTPCHSA-N 0 3 367.534 2.476 10 0 FEAEHN CC(C)c1nnc2n1C[C@H](NCc1ccc3c(c1)CCC(=O)N3C)CC2 ZINC000187177904 328007123 /nfs/dbraw/zinc/00/71/23/328007123.db2.gz UCKGUVMNAHVRCN-MRXNPFEDSA-N 0 3 353.470 2.415 10 0 FEAEHN Cc1csc2nc(CN3C[C@@H](c4ccsc4)[C@H](CO)C3)cc(=O)n12 ZINC000188137507 328068892 /nfs/dbraw/zinc/06/88/92/328068892.db2.gz ACUYYOHAEOUQSG-ZFWWWQNUSA-N 0 3 361.492 2.334 10 0 FEAEHN C[C@H]1OCCC[C@@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000188529818 328093037 /nfs/dbraw/zinc/09/30/37/328093037.db2.gz QMYKQXYSDHOEDQ-QUCCMNQESA-N 0 3 359.514 2.126 10 0 FEAEHN CC[C@@H](O)CN1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1 ZINC000189302457 328139790 /nfs/dbraw/zinc/13/97/90/328139790.db2.gz KNBKSOFXSDAXTB-LLVKDONJSA-N 0 3 368.890 2.320 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2-n2cccn2)CCO1 ZINC000189919399 328176003 /nfs/dbraw/zinc/17/60/03/328176003.db2.gz IARRBAOKXNRCCY-AWEZNQCLSA-N 0 3 363.849 2.320 10 0 FEAEHN C[C@@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc(-n2ccnc2)c1 ZINC000189917719 328175844 /nfs/dbraw/zinc/17/58/44/328175844.db2.gz GOPZGSLRVQVSDP-QAPCUYQASA-N 0 3 364.453 2.452 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000190074655 328186016 /nfs/dbraw/zinc/18/60/16/328186016.db2.gz ZKUGTTQVCNKEHC-ZYHUDNBSSA-N 0 3 371.359 2.061 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000190102418 328188397 /nfs/dbraw/zinc/18/83/97/328188397.db2.gz REMGWOCYSLRKRT-CZUORRHYSA-N 0 3 370.478 2.444 10 0 FEAEHN CC(C)OCc1cccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)c1 ZINC000190108625 328188868 /nfs/dbraw/zinc/18/88/68/328188868.db2.gz LYVDFLMWRJBNPK-CRAIPNDOSA-N 0 3 359.470 2.245 10 0 FEAEHN CC(C)(C)c1cc(NC(=O)N2CCN3CCC[C@H]3C2)n(-c2ncccn2)n1 ZINC000190117651 328189225 /nfs/dbraw/zinc/18/92/25/328189225.db2.gz GDWYEBDFJQJOFB-AWEZNQCLSA-N 0 3 369.473 2.272 10 0 FEAEHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000190156225 328191346 /nfs/dbraw/zinc/19/13/46/328191346.db2.gz FONPCYKWJHETJX-SFHVURJKSA-N 0 3 369.469 2.472 10 0 FEAEHN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(C[C@H](O)C(F)(F)F)CC1 ZINC000190491832 328211225 /nfs/dbraw/zinc/21/12/25/328211225.db2.gz MOSWBVFZGXHFHZ-STQMWFEESA-N 0 3 354.413 2.038 10 0 FEAEHN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000190538039 328214712 /nfs/dbraw/zinc/21/47/12/328214712.db2.gz FWDUMHXREDRIDW-KRWDZBQOSA-N 0 3 356.470 2.447 10 0 FEAEHN CCOCCCNC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000190681396 328224616 /nfs/dbraw/zinc/22/46/16/328224616.db2.gz YLMMIWNMIWLYTH-HNNXBMFYSA-N 0 3 354.520 2.341 10 0 FEAEHN COC[C@H](NC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1)C1CC1 ZINC000190729716 328228461 /nfs/dbraw/zinc/22/84/61/328228461.db2.gz QYOOVCHLBUTUBT-HOCLYGCPSA-N 0 3 366.531 2.340 10 0 FEAEHN CCS(=O)(=O)CCCCCN[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000191041017 328247166 /nfs/dbraw/zinc/24/71/66/328247166.db2.gz TYDLFVRFFLTWBQ-CQSZACIVSA-N 0 3 361.529 2.346 10 0 FEAEHN Cc1ccc(-n2cccn2)cc1NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000191248302 328256125 /nfs/dbraw/zinc/25/61/25/328256125.db2.gz SXPICSCFEOCSGH-KRWDZBQOSA-N 0 3 357.458 2.149 10 0 FEAEHN C[C@H]1OCCC[C@@H]1C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000191266310 328257344 /nfs/dbraw/zinc/25/73/44/328257344.db2.gz ZAMJDMZISYHWTF-QUCCMNQESA-N 0 3 359.514 2.078 10 0 FEAEHN Cc1cnn(CCN[C@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC000191680152 328277041 /nfs/dbraw/zinc/27/70/41/328277041.db2.gz AGELETRIRWXXPW-HNNXBMFYSA-N 0 3 363.259 2.349 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)C2(c3ccccc3Br)CC2)CCO1 ZINC000191718254 328278623 /nfs/dbraw/zinc/27/86/23/328278623.db2.gz VHKXNXDTDQBOTA-CYBMUJFWSA-N 0 3 367.287 2.270 10 0 FEAEHN CN(C(=O)CN[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)c1nccs1 ZINC000191915427 328288571 /nfs/dbraw/zinc/28/85/71/328288571.db2.gz KEOQJDDYMPVZPB-STQMWFEESA-N 0 3 368.503 2.389 10 0 FEAEHN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000192144403 328302193 /nfs/dbraw/zinc/30/21/93/328302193.db2.gz YXXVMIOSAPIRFX-IBGZPJMESA-N 0 3 373.497 2.049 10 0 FEAEHN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000192144403 328302195 /nfs/dbraw/zinc/30/21/95/328302195.db2.gz YXXVMIOSAPIRFX-IBGZPJMESA-N 0 3 373.497 2.049 10 0 FEAEHN CNC(=O)c1cccc(CNC(=O)N[C@@H](CN(C)C)c2ccccc2)c1 ZINC000048216790 324657996 /nfs/dbraw/zinc/65/79/96/324657996.db2.gz OIQACOXJJSUCQZ-SFHVURJKSA-N 0 3 354.454 2.148 10 0 FEAEHN CCC[C@H](N)C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000236824512 328495384 /nfs/dbraw/zinc/49/53/84/328495384.db2.gz HQFAWBFUTAWEMV-HNNXBMFYSA-N 0 3 372.282 2.360 10 0 FEAEHN COc1ccc([C@@H](CC(=O)N[C@H](CC(C)C)CN(C)C)NC(C)=O)cc1 ZINC000077729782 325009457 /nfs/dbraw/zinc/00/94/57/325009457.db2.gz GGRUMOXUFYHQBY-IEBWSBKVSA-N 0 3 363.502 2.355 10 0 FEAEHN CN1CCC(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000078618184 325054410 /nfs/dbraw/zinc/05/44/10/325054410.db2.gz YNMHPWQHVWIXDH-QPRVAFDKSA-N 0 3 373.541 2.404 10 0 FEAEHN COc1ccc(CNC(=O)N(C)C2CCN(CCn3cccn3)CC2)cc1 ZINC000109352868 325665943 /nfs/dbraw/zinc/66/59/43/325665943.db2.gz FKXVDCZGTXAEMV-UHFFFAOYSA-N 0 3 371.485 2.198 10 0 FEAEHN Cc1ccc(CNC(=O)N(C)C2CCN(CCn3cccn3)CC2)cc1 ZINC000109352768 325666114 /nfs/dbraw/zinc/66/61/14/325666114.db2.gz WOLXRHPTHTXLIJ-UHFFFAOYSA-N 0 3 355.486 2.498 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)NCc1ccccc1Cl)CC2 ZINC000112550644 325789815 /nfs/dbraw/zinc/78/98/15/325789815.db2.gz FVCGTPTUGZYVQC-GXTWGEPZSA-N 0 3 361.877 2.103 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)COc2ccc(Cl)c3cccnc23)CCO1 ZINC000116791412 326035609 /nfs/dbraw/zinc/03/56/09/326035609.db2.gz AXFJNHKJTWQUPI-CYBMUJFWSA-N 0 3 363.845 2.056 10 0 FEAEHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CCO1 ZINC000116900194 326041098 /nfs/dbraw/zinc/04/10/98/326041098.db2.gz LIBBGPAVJGJDLN-GOSISDBHSA-N 0 3 360.479 2.305 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)c1ccsc1 ZINC000117031413 326048127 /nfs/dbraw/zinc/04/81/27/326048127.db2.gz LLEZZVMIWSWRFR-IAGOWNOFSA-N 0 3 368.547 2.103 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)N[C@@H]2CCSc3c(F)cccc32)CCO1 ZINC000117033442 326048637 /nfs/dbraw/zinc/04/86/37/326048637.db2.gz MQDGDDHCRZYJBH-SWLSCSKDSA-N 0 3 353.463 2.335 10 0 FEAEHN CCc1cccc2c(CCNC(=O)N3CCO[C@@H](CN(C)C)C3)c[nH]c21 ZINC000117049127 326048763 /nfs/dbraw/zinc/04/87/63/326048763.db2.gz CGMPZQPGQYTRHQ-KRWDZBQOSA-N 0 3 358.486 2.245 10 0 FEAEHN Cc1cnn(CCNC(=O)N(C)C2CCN(Cc3ccccc3)CC2)c1 ZINC000118077906 326079204 /nfs/dbraw/zinc/07/92/04/326079204.db2.gz VEZCFXOYRLLVHC-UHFFFAOYSA-N 0 3 355.486 2.498 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2ccc(N3CCCC3)c(F)c2)CCO1 ZINC000118808702 326104221 /nfs/dbraw/zinc/10/42/21/326104221.db2.gz FXRHHVXHBKTFHB-OAHLLOKOSA-N 0 3 350.438 2.220 10 0 FEAEHN CC[C@H](O)CN1CCN(CCC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000118858420 326109026 /nfs/dbraw/zinc/10/90/26/326109026.db2.gz KDLMMVSBSZZWQY-HNNXBMFYSA-N 0 3 369.893 2.066 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000119475233 326167091 /nfs/dbraw/zinc/16/70/91/326167091.db2.gz KUOVGWVCYUVICB-GYSYKLTISA-N 0 3 358.408 2.378 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC000119664245 326185753 /nfs/dbraw/zinc/18/57/53/326185753.db2.gz VVTBZOOLRLFROR-KRWDZBQOSA-N 0 3 367.515 2.222 10 0 FEAEHN COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CCC[C@@H]1C[NH3+] ZINC000124517740 326455418 /nfs/dbraw/zinc/45/54/18/326455418.db2.gz NOHKRGRIFWNYCL-PWSUYJOCSA-N 0 3 368.480 2.094 10 0 FEAEHN CCCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H](CC(C)C)CN(C)C)C1 ZINC000127296553 326503801 /nfs/dbraw/zinc/50/38/01/326503801.db2.gz QEXVETAXLGMJOO-SJORKVTESA-N 0 3 354.539 2.301 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2CCC(F)(F)F)C1 ZINC000129364910 326539184 /nfs/dbraw/zinc/53/91/84/326539184.db2.gz QHCKCJHWBFVLSU-ZDUSSCGKSA-N 0 3 357.376 2.283 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000131710736 326580464 /nfs/dbraw/zinc/58/04/64/326580464.db2.gz QBPUMHYUXRGOCS-DOTOQJQBSA-N 0 3 373.501 2.061 10 0 FEAEHN CN(C(=O)CCN1CCC(N(C)c2cccnn2)CC1)c1ccccc1 ZINC000135048099 326635543 /nfs/dbraw/zinc/63/55/43/326635543.db2.gz YAHQWYUUFPOTFA-UHFFFAOYSA-N 0 3 353.470 2.430 10 0 FEAEHN C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccccc1)c1nnc2n1CCCC2 ZINC000136579067 326653494 /nfs/dbraw/zinc/65/34/94/326653494.db2.gz YUTPKDCJUCKUJM-HOCLYGCPSA-N 0 3 356.474 2.278 10 0 FEAEHN C[C@@H](NC(=O)NC[C@@H](c1ccccc1)N(C)C)c1nnc2n1CCCC2 ZINC000153083158 326723477 /nfs/dbraw/zinc/72/34/77/326723477.db2.gz HBLRUGHMBGZBSG-ZBFHGGJFSA-N 0 3 356.474 2.278 10 0 FEAEHN Cc1ccc([C@H](C)NC2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)o1 ZINC000157498725 326867156 /nfs/dbraw/zinc/86/71/56/326867156.db2.gz GIFLXCNNLCICJY-LBPRGKRZSA-N 0 3 366.487 2.432 10 0 FEAEHN CCC[C@H](C(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1)N(C)C ZINC000162106704 327017109 /nfs/dbraw/zinc/01/71/09/327017109.db2.gz GJDPTBYNWIVABS-QGZVFWFLSA-N 0 3 350.507 2.350 10 0 FEAEHN CCC[C@@H](NC(=O)Nc1ccn(CCN(C)C)n1)C(=O)OC(C)(C)C ZINC000163609753 327055172 /nfs/dbraw/zinc/05/51/72/327055172.db2.gz MYBDJVAMANUZSS-CYBMUJFWSA-N 0 3 353.467 2.077 10 0 FEAEHN NC(=O)c1ccc(NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)cn1 ZINC000164085697 327064473 /nfs/dbraw/zinc/06/44/73/327064473.db2.gz KEGUZHARMSJMQJ-QGZVFWFLSA-N 0 3 367.453 2.357 10 0 FEAEHN COc1ccc(CCNC(=O)N2CC[C@H](N(C)C)C2)cc1OC(F)F ZINC000170836224 327101724 /nfs/dbraw/zinc/10/17/24/327101724.db2.gz CMTUDUHTSIWSNB-ZDUSSCGKSA-N 0 3 357.401 2.185 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)c(OCC(F)(F)F)c1 ZINC000170843255 327102072 /nfs/dbraw/zinc/10/20/72/327102072.db2.gz DHTGMDWILGEDBI-GFCCVEGCSA-N 0 3 373.375 2.037 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C1 ZINC000170859653 327102994 /nfs/dbraw/zinc/10/29/94/327102994.db2.gz SRWDTWVLMSEGBC-CYBMUJFWSA-N 0 3 365.890 2.050 10 0 FEAEHN Cc1c(C(=O)N2CCN3CCC[C@H]3C2)nnn1-c1ccc2ncccc2c1 ZINC000170999055 327111537 /nfs/dbraw/zinc/11/15/37/327111537.db2.gz NDROVKARFIWUPI-KRWDZBQOSA-N 0 3 362.437 2.044 10 0 FEAEHN CC(C)(CNC(=O)NC[C@H](O)CN1CCCCC1)c1ccc(F)cc1 ZINC000171373483 327135371 /nfs/dbraw/zinc/13/53/71/327135371.db2.gz BFWLZCVNSZZOOE-KRWDZBQOSA-N 0 3 351.466 2.249 10 0 FEAEHN Cc1ccccc1CNC(=O)C(C)S(=O)(=O)Cc1nccn1C(C)C ZINC000171674617 327154308 /nfs/dbraw/zinc/15/43/08/327154308.db2.gz BSBUJVHYDITDTI-OAHLLOKOSA-N 0 3 363.483 2.392 10 0 FEAEHN CCN(CC)C(=O)COc1cccc(NC(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000171888401 327167800 /nfs/dbraw/zinc/16/78/00/327167800.db2.gz HYWLDIYLQOLOFE-KRWDZBQOSA-N 0 3 374.485 2.246 10 0 FEAEHN COc1cc(NC(=O)N2CCN3CCC[C@@H]3C2)ccc1N1CCCC1=O ZINC000171887989 327167826 /nfs/dbraw/zinc/16/78/26/327167826.db2.gz HSDKFBZTEGTGRF-OAHLLOKOSA-N 0 3 358.442 2.134 10 0 FEAEHN CCc1nccn1[C@@H]1CCCN(CCn2cnc3ccccc3c2=O)C1 ZINC000172247977 327189954 /nfs/dbraw/zinc/18/99/54/327189954.db2.gz KMCRQGRZOORWJS-MRXNPFEDSA-N 0 3 351.454 2.493 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2ccc(OCc3ccccc3)nc2)CCO1 ZINC000172307697 327194439 /nfs/dbraw/zinc/19/44/39/327194439.db2.gz QKDSRQVOIKWXFR-SFHVURJKSA-N 0 3 355.438 2.063 10 0 FEAEHN CCCCS(=O)(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000172662682 327213920 /nfs/dbraw/zinc/21/39/20/327213920.db2.gz DOUKLXSTGXLOFL-SFHVURJKSA-N 0 3 354.516 2.152 10 0 FEAEHN CCCS(=O)(=O)Nc1cccc(NC(=O)N[C@H]2CCCN(CC)C2)c1 ZINC000173436205 327257021 /nfs/dbraw/zinc/25/70/21/327257021.db2.gz ZAJZTLUPWZVKOW-INIZCTEOSA-N 0 3 368.503 2.444 10 0 FEAEHN COCCN(C)CCCNC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173485694 327260711 /nfs/dbraw/zinc/26/07/11/327260711.db2.gz CPHOCBZCJPXSMT-OAHLLOKOSA-N 0 3 354.520 2.309 10 0 FEAEHN O=C(NCc1nccs1)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000174102424 327306267 /nfs/dbraw/zinc/30/62/67/327306267.db2.gz SLNOYPVHPGMETP-QGZVFWFLSA-N 0 3 374.510 2.388 10 0 FEAEHN CC[C@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CCN1C[C@@H](C)O ZINC000174623553 327339460 /nfs/dbraw/zinc/33/94/60/327339460.db2.gz JLPYUKYLCROOED-XLIONFOSSA-N 0 3 359.514 2.200 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(N2CCNC2=O)ccc1F ZINC000174969877 327364631 /nfs/dbraw/zinc/36/46/31/327364631.db2.gz BKMVAYYCVNEYKB-UKRRQHHQSA-N 0 3 360.433 2.054 10 0 FEAEHN C/C(=C\C(=O)N1CCO[C@H](CN(C)C)C1)c1ccccc1OC(F)F ZINC000175421172 327391769 /nfs/dbraw/zinc/39/17/69/327391769.db2.gz OIWLHPOIMRNMNM-JWAFFJSPSA-N 0 3 354.397 2.480 10 0 FEAEHN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C1(N)CCOCC1 ZINC000261762987 328817595 /nfs/dbraw/zinc/81/75/95/328817595.db2.gz GBJKROFDDBDGHM-SNVBAGLBSA-N 0 3 359.239 2.143 10 0 FEAEHN COc1ccc(-c2nc(-c3nc([C@H]4CNCCN4C)no3)cs2)cc1 ZINC000263236895 328927417 /nfs/dbraw/zinc/92/74/17/328927417.db2.gz OCVANVHZVUHUCB-CQSZACIVSA-N 0 3 357.439 2.445 10 0 FEAEHN C[C@@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)c1cccc(N2CCCC2)c1 ZINC000155298397 545507561 /nfs/dbraw/zinc/50/75/61/545507561.db2.gz ISJKIIUBQDWVNU-APWZRJJASA-N 0 3 360.502 2.320 10 0 FEAEHN CN(C)CCOc1ccc(CNC(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000156064063 545595927 /nfs/dbraw/zinc/59/59/27/545595927.db2.gz BNHLHWPHKQDYFT-UHFFFAOYSA-N 0 3 371.485 2.439 10 0 FEAEHN CN(C)[C@H](CNC(=O)CN1CCC(Cn2cccn2)CC1)c1ccccc1 ZINC000158412723 545858327 /nfs/dbraw/zinc/85/83/27/545858327.db2.gz HARMHPMKZDNSKI-HXUWFJFHSA-N 0 3 369.513 2.014 10 0 FEAEHN C[C@H](NC(=O)NCCCN(C)Cc1ccccc1)c1nnc2n1CCCC2 ZINC000158440605 545861081 /nfs/dbraw/zinc/86/10/81/545861081.db2.gz RABKVBPURQNXCW-INIZCTEOSA-N 0 3 370.501 2.497 10 0 FEAEHN C[C@H](C(=O)OC(C)(C)C)N(C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000158797743 545896102 /nfs/dbraw/zinc/89/61/02/545896102.db2.gz MXGIQRDAAMPRCR-WBVHZDCISA-N 0 3 363.502 2.068 10 0 FEAEHN COCCN1CCN(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000159106959 545923365 /nfs/dbraw/zinc/92/33/65/545923365.db2.gz CJLZUWLOHFTCBC-RHSMWYFYSA-N 0 3 360.420 2.261 10 0 FEAEHN CCc1ccc(OCC(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000159216193 545933457 /nfs/dbraw/zinc/93/34/57/545933457.db2.gz SDMFMWBWCNBBCX-FQEVSTJZSA-N 0 3 368.477 2.163 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)Nc1ccc(OC2CCCC2)nc1 ZINC000171156894 546194167 /nfs/dbraw/zinc/19/41/67/546194167.db2.gz CLLGNQPNDWFPDI-INIZCTEOSA-N 0 3 362.474 2.371 10 0 FEAEHN CNc1cc(N2CCC[C@H]2CNCc2cnc3c(C)cccn23)ncn1 ZINC000174361066 546295528 /nfs/dbraw/zinc/29/55/28/546295528.db2.gz NXZQJKKZJUZZPA-HNNXBMFYSA-N 0 3 351.458 2.233 10 0 FEAEHN Cc1cnc([C@H](NC(=O)NC[C@H](O)CN2CCCCC2)C2CC2)s1 ZINC000175880768 546366499 /nfs/dbraw/zinc/36/64/99/546366499.db2.gz HWISAGGMCICAEU-LSDHHAIUSA-N 0 3 352.504 2.049 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1C(=O)NCCN(C)Cc1ccccc1 ZINC000175965059 546380625 /nfs/dbraw/zinc/38/06/25/546380625.db2.gz VIWWEQKAHFYCGS-IBGZPJMESA-N 0 3 355.486 2.498 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000176191426 546417986 /nfs/dbraw/zinc/41/79/86/546417986.db2.gz MZWJVUHQFZMPQI-QGZVFWFLSA-N 0 3 362.474 2.010 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1cccc(OCC(=O)N(C)C)c1 ZINC000176307900 546430154 /nfs/dbraw/zinc/43/01/54/546430154.db2.gz LFYRWJCLGPIARB-INIZCTEOSA-N 0 3 362.474 2.102 10 0 FEAEHN CCS(=O)(=O)c1ccc(NC(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000176338119 546433124 /nfs/dbraw/zinc/43/31/24/546433124.db2.gz ABZAIQAVEMPFAD-BBRMVZONSA-N 0 3 353.488 2.330 10 0 FEAEHN O=C(NCC1CCN(Cc2cccs2)CC1)N[C@H]1CCCn2ncnc21 ZINC000176467119 546450812 /nfs/dbraw/zinc/45/08/12/546450812.db2.gz ZKBYQLFTMIFZCQ-INIZCTEOSA-N 0 3 374.514 2.386 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc(COC(C)C)c1 ZINC000176891277 546501542 /nfs/dbraw/zinc/50/15/42/546501542.db2.gz USNLDRPDPYSNCT-GOSISDBHSA-N 0 3 361.486 2.493 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)N[C@H]1CCCn2ncnc21)c1ccccc1 ZINC000177357014 546600200 /nfs/dbraw/zinc/60/02/00/546600200.db2.gz BYOSRFWTJZTUHF-IRXDYDNUSA-N 0 3 356.474 2.495 10 0 FEAEHN CCN(CC)CC(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000177466037 546625464 /nfs/dbraw/zinc/62/54/64/546625464.db2.gz UDTIELUSULTKHN-HXUWFJFHSA-N 0 3 361.530 2.232 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000177504201 546632251 /nfs/dbraw/zinc/63/22/51/546632251.db2.gz DDTWKPMKSAMISM-QGZVFWFLSA-N 0 3 364.465 2.071 10 0 FEAEHN Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177686174 546667388 /nfs/dbraw/zinc/66/73/88/546667388.db2.gz SRQYLGSKKZTJKW-CYBMUJFWSA-N 0 3 355.360 2.259 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000178319219 546775124 /nfs/dbraw/zinc/77/51/24/546775124.db2.gz SUTLDXFCJHZAPY-MRXNPFEDSA-N 0 3 356.426 2.066 10 0 FEAEHN COCc1cccc(CN2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)c1 ZINC000179213132 546914925 /nfs/dbraw/zinc/91/49/25/546914925.db2.gz WJBLKUXOMNUCNP-NRFANRHFSA-N 0 3 361.530 2.060 10 0 FEAEHN CCc1nccn1[C@@H]1CCCN(Cc2c(C)nn(C)c2N2CCOCC2)C1 ZINC000179543008 546974586 /nfs/dbraw/zinc/97/45/86/546974586.db2.gz QNNNNULQYIWXLC-QGZVFWFLSA-N 0 3 372.517 2.161 10 0 FEAEHN C[C@H](NC[C@H]1CN(C)CCO1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180496072 547119448 /nfs/dbraw/zinc/11/94/48/547119448.db2.gz QAZQLMYSUOPWDY-RDJZCZTQSA-N 0 3 366.527 2.384 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000181044672 547237432 /nfs/dbraw/zinc/23/74/32/547237432.db2.gz RRSLXFWFCCQRII-WMZOPIPTSA-N 0 3 361.486 2.301 10 0 FEAEHN CCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000181171657 547263561 /nfs/dbraw/zinc/26/35/61/547263561.db2.gz QELAAFGWWWOYEE-CYBMUJFWSA-N 0 3 368.865 2.483 10 0 FEAEHN CC[C@H]1CN(CC2CCN(C(=O)C(C)(C)C)CC2)CCN1CCOC ZINC000181688800 547360779 /nfs/dbraw/zinc/36/07/79/547360779.db2.gz TYHCCVIHZSGPEE-SFHVURJKSA-N 0 3 353.551 2.314 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@H](CN1CCOCC1)c1ccccc1C)CC2 ZINC000183753450 547713898 /nfs/dbraw/zinc/71/38/98/547713898.db2.gz SNCRJSNRJOLXFP-PKOBYXMFSA-N 0 3 369.513 2.127 10 0 FEAEHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000185412848 547981420 /nfs/dbraw/zinc/98/14/20/547981420.db2.gz FUTVHZHAXIHIBM-GDBMZVCRSA-N 0 3 365.522 2.154 10 0 FEAEHN CN(C)C[C@H]1CN([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CCO1 ZINC000186330348 548120167 /nfs/dbraw/zinc/12/01/67/548120167.db2.gz JYZOZUUAMZIFNA-XJKSGUPXSA-N 0 3 371.403 2.073 10 0 FEAEHN CC(=O)N[C@H]1CCCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000186332281 548121269 /nfs/dbraw/zinc/12/12/69/548121269.db2.gz LCSIEZIJXBMMDS-VQTJNVASSA-N 0 3 372.513 2.207 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc(CCN3CCOCC3)cc2)C1 ZINC000194354505 548469713 /nfs/dbraw/zinc/46/97/13/548469713.db2.gz UJDSJWRHCSMZRP-IBGZPJMESA-N 0 3 360.502 2.167 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1nnn(Cc2ccc(F)cc2)c1C ZINC000194552094 548497484 /nfs/dbraw/zinc/49/74/84/548497484.db2.gz JEFXYEBJRMUADF-KRWDZBQOSA-N 0 3 359.449 2.330 10 0 FEAEHN CN(Cc1ccc2c(c1)sc(=O)n2C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000195010144 548563818 /nfs/dbraw/zinc/56/38/18/548563818.db2.gz TYJBUXASXXGMNM-OAHLLOKOSA-N 0 3 369.494 2.491 10 0 FEAEHN Cc1cccc(CNC(=O)CN2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000195271204 548607551 /nfs/dbraw/zinc/60/75/51/548607551.db2.gz RCCLTCMTJCUSTK-NRFANRHFSA-N 0 3 366.509 2.460 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(Cc2nnnn2-c2ccccc2)C1 ZINC000195286761 548611692 /nfs/dbraw/zinc/61/16/92/548611692.db2.gz NSPJPBIADUGNKV-GOSISDBHSA-N 0 3 363.469 2.011 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(Cc2cc(=O)n3ccccc3n2)C1 ZINC000195288195 548613031 /nfs/dbraw/zinc/61/30/31/548613031.db2.gz IKILUSXZGJJSFH-GOSISDBHSA-N 0 3 363.465 2.043 10 0 FEAEHN CCCC(=O)N[C@@H]1CCCN(C[C@@H](O)COCc2ccccc2F)C1 ZINC000245199273 548900249 /nfs/dbraw/zinc/90/02/49/548900249.db2.gz GRZBNJYDTBLXKA-IAGOWNOFSA-N 0 3 352.450 2.084 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000245429565 548917063 /nfs/dbraw/zinc/91/70/63/548917063.db2.gz YRPRHPHJXHERSD-VQTJNVASSA-N 0 3 374.529 2.186 10 0 FEAEHN CN(C)C[C@H]1CN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCO1 ZINC000245542511 548942427 /nfs/dbraw/zinc/94/24/27/548942427.db2.gz KCKKXYBZVQEHSB-BBRMVZONSA-N 0 3 372.296 2.361 10 0 FEAEHN CCC[C@H](C(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1)N(C)C ZINC000245759484 548989360 /nfs/dbraw/zinc/98/93/60/548989360.db2.gz IEVGZJLBPHWTAV-ARFHVFGLSA-N 0 3 353.532 2.356 10 0 FEAEHN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCO[C@@H](CN(C)C)C1 ZINC000245889735 549012241 /nfs/dbraw/zinc/01/22/41/549012241.db2.gz BGHCJTBKSPQNAK-WBVHZDCISA-N 0 3 359.470 2.215 10 0 FEAEHN Cc1nn(C)c(=O)c(-c2nc(CN3CCN4CCCC[C@H]4C3)cs2)c1C ZINC000246160191 549066690 /nfs/dbraw/zinc/06/66/90/549066690.db2.gz IPDYRFLIWGCGOP-INIZCTEOSA-N 0 3 373.526 2.191 10 0 FEAEHN Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@H](C)[C@@H](N)c3ccccc3)CCO2)n1 ZINC000246178455 549071175 /nfs/dbraw/zinc/07/11/75/549071175.db2.gz BWFCBSJYHZKVFY-NZSAHSFTSA-N 0 3 356.470 2.063 10 0 FEAEHN C[C@@H](C(=O)Nc1ccccc1Br)N1CCO[C@@H](CN(C)C)C1 ZINC000246226593 549083829 /nfs/dbraw/zinc/08/38/29/549083829.db2.gz BWQUKAREVOBGIZ-STQMWFEESA-N 0 3 370.291 2.039 10 0 FEAEHN Cc1ncc(-c2ccc(NC(=O)C(=O)N[C@H]3CN(C(C)C)C[C@H]3C)cc2)o1 ZINC000246460196 549137899 /nfs/dbraw/zinc/13/78/99/549137899.db2.gz PFQFOYIALQLINW-DYVFJYSZSA-N 0 3 370.453 2.433 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cccc(OC(F)(F)F)c2)C1 ZINC000246461705 549138889 /nfs/dbraw/zinc/13/88/89/549138889.db2.gz PKODZOUHGHYHBK-BXUZGUMPSA-N 0 3 373.375 2.369 10 0 FEAEHN COC(=O)C[C@@H]1CCCN1C[C@@H](O)COc1cccc(Br)c1 ZINC000246481180 549142582 /nfs/dbraw/zinc/14/25/82/549142582.db2.gz GOFPAQDDSWTBNK-UONOGXRCSA-N 0 3 372.259 2.216 10 0 FEAEHN C[C@@H]1CN(C[C@H](O)COc2cccc3ccccc32)C[C@H]1N1CCOCC1 ZINC000246623117 549176741 /nfs/dbraw/zinc/17/67/41/549176741.db2.gz ZAAGRSYRNCZPKG-SLYNCCJLSA-N 0 3 370.493 2.232 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000246716486 549194388 /nfs/dbraw/zinc/19/43/88/549194388.db2.gz FNTYDKGAYUPPMX-HUUCEWRRSA-N 0 3 370.291 2.266 10 0 FEAEHN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)NC[C@H]2CCCN2CC(C)C)C1 ZINC000246772415 549208711 /nfs/dbraw/zinc/20/87/11/549208711.db2.gz RGHUPQYKSLMACU-ZDYYEZHASA-N 0 3 357.564 2.486 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000246778583 549210068 /nfs/dbraw/zinc/21/00/68/549210068.db2.gz BCWJXIHTJHELKH-VNHYZAJKSA-N 0 3 363.408 2.013 10 0 FEAEHN C[C@@H](NC[C@@H](c1cccs1)N1CCO[C@H](C)C1)C(=O)NC(C)(C)C ZINC000246897679 549237841 /nfs/dbraw/zinc/23/78/41/549237841.db2.gz HLKGSEGLZUNRSK-KFWWJZLASA-N 0 3 353.532 2.403 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000246908031 549240147 /nfs/dbraw/zinc/24/01/47/549240147.db2.gz IEVUHOGNBFBKKX-CVEARBPZSA-N 0 3 365.499 2.201 10 0 FEAEHN CC(C)c1csc([C@@H]2CCCN(C[C@@H](O)CN3CCOCC3)C2)n1 ZINC000246946168 549248068 /nfs/dbraw/zinc/24/80/68/549248068.db2.gz QYDRGUYZMWATKX-CVEARBPZSA-N 0 3 353.532 2.139 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)COc2c(C)ccc(C)c2C)CCN1C[C@H](C)O ZINC000247818139 549384157 /nfs/dbraw/zinc/38/41/57/549384157.db2.gz WOZCTPBSDLQVEP-SXLOBPIMSA-N 0 3 364.530 2.129 10 0 FEAEHN CCOC(=O)C(C)(C)n1cc(NC(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cn1 ZINC000248155174 549412113 /nfs/dbraw/zinc/41/21/13/549412113.db2.gz RHPDJSCLNCLMEG-UKRRQHHQSA-N 0 3 365.478 2.032 10 0 FEAEHN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)C1 ZINC000248633712 549473066 /nfs/dbraw/zinc/47/30/66/549473066.db2.gz JCARJPODGBTSCK-IXDOHACOSA-N 0 3 353.507 2.478 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1nc(C(C)C)cs1 ZINC000248685343 549483821 /nfs/dbraw/zinc/48/38/21/549483821.db2.gz SZLAQTFKDXAMRG-OLZOCXBDSA-N 0 3 350.488 2.290 10 0 FEAEHN CN(C)C[C@H]1CN([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CCO1 ZINC000248697228 549486489 /nfs/dbraw/zinc/48/64/89/549486489.db2.gz JYZOZUUAMZIFNA-BBRMVZONSA-N 0 3 371.403 2.073 10 0 FEAEHN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)C1 ZINC000248833436 549509585 /nfs/dbraw/zinc/50/95/85/549509585.db2.gz MZJRZUNYASACSB-JTDSTZFVSA-N 0 3 353.507 2.336 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(Cl)c1N(C)C ZINC000249149742 549561710 /nfs/dbraw/zinc/56/17/10/549561710.db2.gz HAECRZPBJLFPCA-OLZOCXBDSA-N 0 3 364.877 2.040 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCCc2ccc(F)cc21 ZINC000249183951 549565971 /nfs/dbraw/zinc/56/59/71/549565971.db2.gz NRLACAMPSJXWPW-IRXDYDNUSA-N 0 3 359.445 2.190 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000249187080 549567395 /nfs/dbraw/zinc/56/73/95/549567395.db2.gz OIPKZINIZNIZFW-GJZGRUSLSA-N 0 3 356.426 2.160 10 0 FEAEHN C[C@@H]1OCCC[C@H]1C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000249421222 549590426 /nfs/dbraw/zinc/59/04/26/549590426.db2.gz DOKSSXFEOAGJIG-SXLOBPIMSA-N 0 3 359.514 2.297 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)C1 ZINC000249751823 549624462 /nfs/dbraw/zinc/62/44/62/549624462.db2.gz DLCOWODCIHQOLA-AEFFLSMTSA-N 0 3 364.534 2.151 10 0 FEAEHN COC(=O)[C@@H]1CCCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000251927509 549657393 /nfs/dbraw/zinc/65/73/93/549657393.db2.gz XRHBHYPCZNTOCE-RTBURBONSA-N 0 3 373.497 2.492 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)NC[C@H]2CCCOC2)C1 ZINC000251949987 549658889 /nfs/dbraw/zinc/65/88/89/549658889.db2.gz UYFUZZFRDZYCFJ-HZPDHXFCSA-N 0 3 366.531 2.341 10 0 FEAEHN COc1cccc(N2CC[C@@H](CNC(=O)N3CCN4CCC[C@H]4C3)C2)c1 ZINC000252441799 549664251 /nfs/dbraw/zinc/66/42/51/549664251.db2.gz AUDJOGBVDAWXBS-WMZOPIPTSA-N 0 3 358.486 2.011 10 0 FEAEHN O=C(NCc1ccncc1)[C@@H]1CN(Cc2cccnc2)C[C@H]1c1cccnc1 ZINC000257191436 549716062 /nfs/dbraw/zinc/71/60/62/549716062.db2.gz PSLWZNYGZJTLAB-LEWJYISDSA-N 0 3 373.460 2.404 10 0 FEAEHN NC1(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)CCOCC1 ZINC000261662670 549740952 /nfs/dbraw/zinc/74/09/52/549740952.db2.gz BFXMFBVJFFPDGV-UHFFFAOYSA-N 0 3 366.421 2.360 10 0 FEAEHN Cc1nc(-c2ccc(CCNC(=O)C3(N)CCOCC3)s2)cs1 ZINC000261832804 549760972 /nfs/dbraw/zinc/76/09/72/549760972.db2.gz KZQAZBQFFNBMDI-UHFFFAOYSA-N 0 3 351.497 2.347 10 0 FEAEHN COc1ccc(-n2ccc(CN[C@@H]3CCC[C@H]3[C@H]3COCCN3)n2)cc1 ZINC000261954446 549773901 /nfs/dbraw/zinc/77/39/01/549773901.db2.gz OUFWNOWWJCAESM-VAMGGRTRSA-N 0 3 356.470 2.128 10 0 FEAEHN C[C@@H]1CN(C2CCN(c3nc(C(F)(F)F)nc4[nH]cnc43)CC2)CCO1 ZINC000301092079 553621324 /nfs/dbraw/zinc/62/13/24/553621324.db2.gz OATMJJBOWVAPPI-SNVBAGLBSA-N 0 3 370.379 2.061 10 0 FEAEHN Cc1cc(NC[C@@H](O)CN2CCOCC2)c2cc(OC(F)F)ccc2n1 ZINC000301703743 553673073 /nfs/dbraw/zinc/67/30/73/553673073.db2.gz APEYGCXRKAYMEJ-CYBMUJFWSA-N 0 3 367.396 2.250 10 0 FEAEHN CCN1CCO[C@H](CNCc2cc(Br)cc3c2OCC3)C1 ZINC000122412961 671966075 /nfs/dbraw/zinc/96/60/75/671966075.db2.gz NULJXYUZRBBOJM-OAHLLOKOSA-N 0 3 355.276 2.194 10 0 FEAEHN CN(C)C[C@@H]1CN(Cn2nc(-c3ccc(Cl)cc3)[nH]c2=S)CCO1 ZINC000152976546 672191443 /nfs/dbraw/zinc/19/14/43/672191443.db2.gz SOOUDUFVDWJBMC-CQSZACIVSA-N 0 3 367.906 2.481 10 0 FEAEHN CC[C@H]1CN(Cn2c3cc(Cl)ccc3oc2=O)CCN1CCOC ZINC000172238523 672340409 /nfs/dbraw/zinc/34/04/09/672340409.db2.gz IOOUXZOOXGQPGQ-AWEZNQCLSA-N 0 3 353.850 2.248 10 0 FEAEHN C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000178699715 672394201 /nfs/dbraw/zinc/39/42/01/672394201.db2.gz ARCONYFFQPKEDI-SAAWKEMMSA-N 0 3 370.490 2.151 10 0 FEAEHN CC(=O)OC1CCN(C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000178978971 672397851 /nfs/dbraw/zinc/39/78/51/672397851.db2.gz FZLFJSMIISWSMJ-AWEZNQCLSA-N 0 3 372.259 2.216 10 0 FEAEHN C[C@H](O)CN1CCN(C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000246023207 672828308 /nfs/dbraw/zinc/82/83/08/672828308.db2.gz MAGLLKDUGKQDNG-IXDOHACOSA-N 0 3 355.523 2.020 10 0 FEAEHN CN(CC1CC1)C(=O)CN1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248591456 672858778 /nfs/dbraw/zinc/85/87/78/672858778.db2.gz LDLRYWLQNUKYHL-ARFHVFGLSA-N 0 3 351.491 2.090 10 0 FEAEHN Cc1cc(C)c2c(-n3cccc3)nn(CCCC(=O)NCCN(C)C)c2n1 ZINC000021539985 539684406 /nfs/dbraw/zinc/68/44/06/539684406.db2.gz ZIALHQQEMJPXGF-UHFFFAOYSA-N 0 3 368.485 2.297 10 0 FEAEHN CCOC(=O)c1cc(CC)sc1NC(=O)CN1CCN2CCC[C@@H]2C1 ZINC000023249594 539710203 /nfs/dbraw/zinc/71/02/03/539710203.db2.gz KLWUEUXKHVDBTF-CYBMUJFWSA-N 0 3 365.499 2.206 10 0 FEAEHN C[C@@H](NC(=O)NC[C@@H](O)CN1CCCCC1)c1ccc(OC(F)F)cc1 ZINC000049174764 540384259 /nfs/dbraw/zinc/38/42/59/540384259.db2.gz MAQNAJOPQZNIGU-UKRRQHHQSA-N 0 3 371.428 2.495 10 0 FEAEHN COc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C)c2cccnc12 ZINC000067372968 541450934 /nfs/dbraw/zinc/45/09/34/541450934.db2.gz GKJGGIPJQUYLBU-AWEZNQCLSA-N 0 3 372.469 2.274 10 0 FEAEHN C[C@H](CN1CCOCC1)NC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000067734966 541506743 /nfs/dbraw/zinc/50/67/43/541506743.db2.gz GTNSCJFKHBHHKA-UYAOXDASSA-N 0 3 374.529 2.061 10 0 FEAEHN CN(C[C@@H]1CCN(C)C1)S(=O)(=O)c1ccc(Br)s1 ZINC000071193016 541765907 /nfs/dbraw/zinc/76/59/07/541765907.db2.gz LCGCEHHAWRZQQT-SECBINFHSA-N 0 3 353.307 2.083 10 0 FEAEHN CN(C[C@H]1CCN(C)C1)S(=O)(=O)c1sccc1Br ZINC000071193019 541766135 /nfs/dbraw/zinc/76/61/35/541766135.db2.gz AQHMREZNMXVOKQ-VIFPVBQESA-N 0 3 353.307 2.083 10 0 FEAEHN O=c1cc(CN[C@H]2CCC[NH2+]C2)nc(-c2ccc(C(F)(F)F)cc2)[n-]1 ZINC000073696214 205032747 /nfs/dbraw/zinc/03/27/47/205032747.db2.gz LOCDAKSHOGNGPA-ZDUSSCGKSA-N 0 3 352.360 2.297 10 0 FEAEHN C[NH2+]C1CCN(Cc2ccc(-c3nc([C@@H]4CCCO4)cc(=O)[n-]3)cc2)CC1 ZINC000096879106 543000079 /nfs/dbraw/zinc/00/00/79/543000079.db2.gz VTASJMFNERXJJZ-IBGZPJMESA-N 0 3 368.481 2.472 10 0 FEAEHN COc1cccc([C@H](CNC(=O)N2CCN3CCCC[C@@H]3C2)N(C)C)c1 ZINC000105083149 543157724 /nfs/dbraw/zinc/15/77/24/543157724.db2.gz ZXROHYIWHWSEAP-MJGOQNOKSA-N 0 3 360.502 2.178 10 0 FEAEHN CCc1ccc(NC(=O)CN(C)C2CCN(CCn3cccn3)CC2)cc1 ZINC000106130489 543205533 /nfs/dbraw/zinc/20/55/33/543205533.db2.gz DZSYIKNZWZDMFS-UHFFFAOYSA-N 0 3 369.513 2.480 10 0 FEAEHN CN(Cc1nc2ccccc2n1C)C1CCN(CCn2cccn2)CC1 ZINC000106128597 543206031 /nfs/dbraw/zinc/20/60/31/543206031.db2.gz UDRXLZHFVXDHHT-UHFFFAOYSA-N 0 3 352.486 2.366 10 0 FEAEHN Cn1ccnc1CC1CCN(CC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000106165089 543211182 /nfs/dbraw/zinc/21/11/82/543211182.db2.gz MWGBQVJQCULYMX-GOSISDBHSA-N 0 3 368.481 2.315 10 0 FEAEHN Cc1ccc(CN(C(=O)CN2CCC[C@H](Cn3cncn3)C2)C2CC2)cc1 ZINC000106171965 543211994 /nfs/dbraw/zinc/21/19/94/543211994.db2.gz HTJFAKXQPZRLTQ-IBGZPJMESA-N 0 3 367.497 2.490 10 0 FEAEHN CN(C)CCOc1ccccc1C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110877014 543371710 /nfs/dbraw/zinc/37/17/10/543371710.db2.gz AJAJRXAYNPNRJS-INIZCTEOSA-N 0 3 361.467 2.297 10 0 FEAEHN Cc1ccc2oc(N3CCN(C(=O)NC[C@H]4CCCN(C)C4)CC3)nc2c1 ZINC000112454925 543447220 /nfs/dbraw/zinc/44/72/20/543447220.db2.gz FRSUWWRYSRMFQY-MRXNPFEDSA-N 0 3 371.485 2.310 10 0 FEAEHN CCCC[C@@H](N[C@H]1CCc2nc(CC)nn2C1)C(=O)Nc1cc(C)on1 ZINC000112550868 543451464 /nfs/dbraw/zinc/45/14/64/543451464.db2.gz YHPKQCSGDYUERW-UONOGXRCSA-N 0 3 360.462 2.239 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H](c1ccccc1)N1CCSCC1 ZINC000113228234 543478518 /nfs/dbraw/zinc/47/85/18/543478518.db2.gz HEZTWZVHDDQXEU-BHIYHBOVSA-N 0 3 359.539 2.472 10 0 FEAEHN Cc1ccc(NC(=O)CSCC(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1 ZINC000113232316 543478789 /nfs/dbraw/zinc/47/87/89/543478789.db2.gz SDJYNTWIMGFKPV-DOTOQJQBSA-N 0 3 361.511 2.362 10 0 FEAEHN COc1ccccc1CC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000114415081 543514413 /nfs/dbraw/zinc/51/44/13/543514413.db2.gz NLLQIKKWAQTAMQ-UHFFFAOYSA-N 0 3 368.481 2.043 10 0 FEAEHN COCCN1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C[C@@H]1C ZINC000117478076 543633360 /nfs/dbraw/zinc/63/33/60/543633360.db2.gz WRDREYKDDUFAHW-ICSRJNTNSA-N 0 3 374.529 2.186 10 0 FEAEHN Cc1ccc(Br)cc1S(=O)(=O)N1C[C@H](C)[C@H](N(C)C)C1 ZINC000124009696 543795853 /nfs/dbraw/zinc/79/58/53/543795853.db2.gz SHQLYTWZMVGMTE-WCQYABFASA-N 0 3 361.305 2.328 10 0 FEAEHN COC(=O)CNC(=O)CCN1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127724132 544009867 /nfs/dbraw/zinc/00/98/67/544009867.db2.gz VGFRLZGLEDWPAW-ZDUSSCGKSA-N 0 3 353.488 2.125 10 0 FEAEHN Cc1ccc(NC(=O)C2(N)CCOCC2)cc1I ZINC000127784466 544013340 /nfs/dbraw/zinc/01/33/40/544013340.db2.gz RMCRDROWTBEGSX-UHFFFAOYSA-N 0 3 360.195 2.046 10 0 FEAEHN CN(C)C[C@H]1CN(Cc2nc3cc(C(F)(F)F)ccc3n2C)CCO1 ZINC000128127932 544034305 /nfs/dbraw/zinc/03/43/05/544034305.db2.gz AAVRRCMNFLZPPM-ZDUSSCGKSA-N 0 3 356.392 2.355 10 0 FEAEHN CCOc1ccc(Cl)cc1CCNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000129626063 544121337 /nfs/dbraw/zinc/12/13/37/544121337.db2.gz WUQKYXCVBYHFNR-MRXNPFEDSA-N 0 3 369.893 2.253 10 0 FEAEHN O=C(C[C@@H]1CCCN1C[C@H](O)COC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000134831480 544323375 /nfs/dbraw/zinc/32/33/75/544323375.db2.gz UBOLFLGJQLWIGI-FHWLQOOXSA-N 0 3 365.445 2.419 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2OC(F)F)C1 ZINC000150789047 544471706 /nfs/dbraw/zinc/47/17/06/544471706.db2.gz DADPAXMPGFFOES-MFKMUULPSA-N 0 3 373.375 2.211 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000150797377 544472595 /nfs/dbraw/zinc/47/25/95/544472595.db2.gz UBFLBCNEUXJMTN-FZMZJTMJSA-N 0 3 373.375 2.369 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cccc(OC(F)(F)F)c2)C1 ZINC000150804454 544473377 /nfs/dbraw/zinc/47/33/77/544473377.db2.gz PKODZOUHGHYHBK-RISCZKNCSA-N 0 3 373.375 2.369 10 0 FEAEHN CC(C)OCc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000150799261 544473679 /nfs/dbraw/zinc/47/36/79/544473679.db2.gz AODIDEPCZGOENO-YJBOKZPZSA-N 0 3 361.486 2.395 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000151833490 544586205 /nfs/dbraw/zinc/58/62/05/544586205.db2.gz QFTRWQIUSWHFFM-YJBOKZPZSA-N 0 3 356.474 2.454 10 0 FEAEHN O=C(CCN1CC[C@@H](Oc2cccnc2)C1)NC(=O)Nc1ccccc1 ZINC000152275971 544632307 /nfs/dbraw/zinc/63/23/07/544632307.db2.gz JPMOBFJAUGJVKC-QGZVFWFLSA-N 0 3 354.410 2.273 10 0 FEAEHN COc1ccccc1COC[C@@H](O)CN1CC[C@H](Oc2cccnc2)C1 ZINC000152354986 544642238 /nfs/dbraw/zinc/64/22/38/544642238.db2.gz UBPFANRFBRHJTG-HKUYNNGSSA-N 0 3 358.438 2.121 10 0 FEAEHN CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000152946496 544715543 /nfs/dbraw/zinc/71/55/43/544715543.db2.gz JOTZAMDBFQCFGC-QGZVFWFLSA-N 0 3 374.485 2.140 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C)cc1C(=O)OC ZINC000153631194 544800303 /nfs/dbraw/zinc/80/03/03/544800303.db2.gz ORKLPMURNNGDRI-LSDHHAIUSA-N 0 3 366.483 2.029 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000154589182 544924870 /nfs/dbraw/zinc/92/48/70/544924870.db2.gz YCBANVIDIVANHF-BBRMVZONSA-N 0 3 356.426 2.412 10 0 FEAEHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c3ccccc32)CCO1 ZINC000155180287 544999423 /nfs/dbraw/zinc/99/94/23/544999423.db2.gz FWHUGHAUCXICMB-ZDUSSCGKSA-N 0 3 368.886 2.444 10 0 FEAEHN CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)N1CCO[C@H](CN(C)C)C1 ZINC000155277253 545007573 /nfs/dbraw/zinc/00/75/73/545007573.db2.gz CJRLOHSDZAFEHA-UKRRQHHQSA-N 0 3 373.453 2.225 10 0 FEAEHN Cc1cc(C(=O)N2CCO[C@H](CN(C)C)C2)nn1-c1ccccc1Cl ZINC000180552253 327690458 /nfs/dbraw/zinc/69/04/58/327690458.db2.gz UMBCXQDKGKKOBG-CQSZACIVSA-N 0 3 362.861 2.237 10 0 FEAEHN C[C@@H](NCCn1cnc2ccccc2c1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000182188892 327764817 /nfs/dbraw/zinc/76/48/17/327764817.db2.gz QQMCXAGWYDLXLI-CQSZACIVSA-N 0 3 371.462 2.151 10 0 FEAEHN CN(C)[C@@H](CNC(=O)CN1CCC(c2ccnn2C)CC1)c1ccccc1 ZINC000184960240 327892020 /nfs/dbraw/zinc/89/20/20/327892020.db2.gz CLQPEDZRMOYFNO-FQEVSTJZSA-N 0 3 369.513 2.019 10 0 FEAEHN CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C(=O)N2CCN3CCC2CC3)C1 ZINC000188608239 328098045 /nfs/dbraw/zinc/09/80/45/328098045.db2.gz YLKBZQKJPPYLJG-GJZGRUSLSA-N 0 3 351.491 2.377 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(OC)ccc1Cl ZINC000190335994 328200766 /nfs/dbraw/zinc/20/07/66/328200766.db2.gz XDVKCZMICOCCLR-CHWSQXEVSA-N 0 3 365.861 2.372 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(c2ccc3nnc(C(F)F)n3n2)C1 ZINC000190447295 328208230 /nfs/dbraw/zinc/20/82/30/328208230.db2.gz LEGPTPHZHRRYLT-CQSZACIVSA-N 0 3 373.411 2.415 10 0 FEAEHN CCC[C@H](C(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1)N(C)C ZINC000190516667 328213214 /nfs/dbraw/zinc/21/32/14/328213214.db2.gz MRPXCHBJBZLJTA-HZPDHXFCSA-N 0 3 352.548 2.462 10 0 FEAEHN CCCNC(=O)[C@H](C)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190501175 328212076 /nfs/dbraw/zinc/21/20/76/328212076.db2.gz NBOHVZCHCCRROI-HOTGVXAUSA-N 0 3 355.523 2.029 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)CCC(=O)NC2CCCC2)C1 ZINC000190646279 328221660 /nfs/dbraw/zinc/22/16/60/328221660.db2.gz RFRKYHYFDHXAJM-GOSISDBHSA-N 0 3 372.513 2.201 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NCc2cccc(CO)c2)C1 ZINC000190708047 328226407 /nfs/dbraw/zinc/22/64/07/328226407.db2.gz HGBFQMWJJAPTQD-FQEVSTJZSA-N 0 3 368.481 2.237 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2cc(Br)c(F)cc2F)CCO1 ZINC000192121977 328300959 /nfs/dbraw/zinc/30/09/59/328300959.db2.gz BRXKXULYPLDANQ-VIFPVBQESA-N 0 3 363.202 2.130 10 0 FEAEHN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000192364404 328315629 /nfs/dbraw/zinc/31/56/29/328315629.db2.gz ZZWNVUYLTWCTTA-BBWFWOEESA-N 0 3 373.457 2.152 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000193075777 328355828 /nfs/dbraw/zinc/35/58/28/328355828.db2.gz LOMVPRMYJTUEIH-ZDUSSCGKSA-N 0 3 364.515 2.293 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000193410761 328373657 /nfs/dbraw/zinc/37/36/57/328373657.db2.gz KMFBYRLCAVKNRY-QWHCGFSZSA-N 0 3 362.499 2.046 10 0 FEAEHN CCCc1csc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2CC)n1 ZINC000193415246 328374005 /nfs/dbraw/zinc/37/40/05/328374005.db2.gz OKBIFUUUXUNVHO-UONOGXRCSA-N 0 3 350.488 2.119 10 0 FEAEHN CCCc1csc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2CC)n1 ZINC000193415232 328374011 /nfs/dbraw/zinc/37/40/11/328374011.db2.gz OKBIFUUUXUNVHO-KBPBESRZSA-N 0 3 350.488 2.119 10 0 FEAEHN CN(C)C[C@H](NC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 ZINC000195242727 328464105 /nfs/dbraw/zinc/46/41/05/328464105.db2.gz ABERHBQTWVCDCL-HKUYNNGSSA-N 0 3 366.465 2.394 10 0 FEAEHN CN1CCC(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000078618189 325054167 /nfs/dbraw/zinc/05/41/67/325054167.db2.gz YNMHPWQHVWIXDH-PQGQHUGISA-N 0 3 373.541 2.404 10 0 FEAEHN CCCC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000101769586 325479908 /nfs/dbraw/zinc/47/99/08/325479908.db2.gz SRVIEAZNJKSDHY-MSOLQXFVSA-N 0 3 360.502 2.380 10 0 FEAEHN CN(C(=O)N[C@H]1COc2ccccc21)C1CCN(CCn2cccn2)CC1 ZINC000109397034 325667064 /nfs/dbraw/zinc/66/70/64/325667064.db2.gz YOQOKJKQDPEFJW-SFHVURJKSA-N 0 3 369.469 2.123 10 0 FEAEHN C[C@@H](N[C@H]1CCc2ncnn2C1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000112550183 325789840 /nfs/dbraw/zinc/78/98/40/325789840.db2.gz BGYZRDWOEZTTAB-PWSUYJOCSA-N 0 3 369.347 2.108 10 0 FEAEHN Cc1ccccc1CCNC(=O)[C@@H](C)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000112552029 325791264 /nfs/dbraw/zinc/79/12/64/325791264.db2.gz NLQPMKQHPJVQJN-SJLPKXTDSA-N 0 3 369.513 2.362 10 0 FEAEHN COCc1cccc(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)c1 ZINC000114414469 325891102 /nfs/dbraw/zinc/89/11/02/325891102.db2.gz ZKVGGMHYEXAINI-UHFFFAOYSA-N 0 3 368.481 2.252 10 0 FEAEHN CC(C)Nc1ncnc2c1ncn2C[C@@H](O)CN1CCc2ccccc2C1 ZINC000116400799 326011665 /nfs/dbraw/zinc/01/16/65/326011665.db2.gz YUSJNXGPHDEWSW-KRWDZBQOSA-N 0 3 366.469 2.066 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)CCO1 ZINC000116786717 326034976 /nfs/dbraw/zinc/03/49/76/326034976.db2.gz PQPMCDCEHYNZCU-CYBMUJFWSA-N 0 3 366.259 2.333 10 0 FEAEHN CCOc1c(Cl)cc(C(=O)N2CCO[C@H](CN(C)C)C2)cc1OC ZINC000116786606 326035319 /nfs/dbraw/zinc/03/53/19/326035319.db2.gz GWZKVNKZIDJTRE-CYBMUJFWSA-N 0 3 356.850 2.150 10 0 FEAEHN Cc1c(C(=O)N2CCO[C@H](CN(C)C)C2)cnn1-c1cccc(Cl)c1 ZINC000116791736 326035733 /nfs/dbraw/zinc/03/57/33/326035733.db2.gz OABRVBBDTASRBR-MRXNPFEDSA-N 0 3 362.861 2.237 10 0 FEAEHN Cc1ccc(OCc2cccc(C(=O)N3CCO[C@H](CN(C)C)C3)c2)cn1 ZINC000116795104 326036363 /nfs/dbraw/zinc/03/63/63/326036363.db2.gz RLGZZNUDIVAFSC-HXUWFJFHSA-N 0 3 369.465 2.372 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)CCO1 ZINC000116797199 326036435 /nfs/dbraw/zinc/03/64/35/326036435.db2.gz OHHRBJGYELGCNQ-CYBMUJFWSA-N 0 3 371.359 2.469 10 0 FEAEHN C[C@@H](NC(=O)N1CCO[C@H](CN(C)C)C1)c1ccccc1Br ZINC000117025628 326047407 /nfs/dbraw/zinc/04/74/07/326047407.db2.gz ZUZUEVZNLXIAQR-CHWSQXEVSA-N 0 3 370.291 2.482 10 0 FEAEHN C[C@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)c1ccc(OC(F)F)cc1 ZINC000117032444 326048474 /nfs/dbraw/zinc/04/84/74/326048474.db2.gz DSOAWMWHDQEIHO-WFASDCNBSA-N 0 3 357.401 2.321 10 0 FEAEHN CC(C)CCSCC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000119802148 326199853 /nfs/dbraw/zinc/19/98/53/326199853.db2.gz TVZPTMVSLAOIKO-SFHVURJKSA-N 0 3 350.528 2.301 10 0 FEAEHN O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000120691659 326279093 /nfs/dbraw/zinc/27/90/93/326279093.db2.gz RUQAFAZBOWLOIR-DENIHFKCSA-N 0 3 371.525 2.352 10 0 FEAEHN CC[C@H]1CN(Cc2cccc(OCCCOC)c2)CCN1C[C@@H](C)O ZINC000120768103 326286815 /nfs/dbraw/zinc/28/68/15/326286815.db2.gz GLXRGGGYKZTRIG-MJGOQNOKSA-N 0 3 350.503 2.379 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccccc1Br ZINC000121807827 326368746 /nfs/dbraw/zinc/36/87/46/326368746.db2.gz DGPMADLVTHWTHJ-GFCCVEGCSA-N 0 3 370.291 2.480 10 0 FEAEHN CN(C)C[C@@H](NC(=O)Nc1ccc2c(c1)OCC(=O)N2)c1ccccc1 ZINC000126640254 326492507 /nfs/dbraw/zinc/49/25/07/326492507.db2.gz HBLMCXIIRRKZMG-MRXNPFEDSA-N 0 3 354.410 2.442 10 0 FEAEHN CN1C(=O)C[C@H](C(=O)NC2CCN(C3CC3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000127405729 326505968 /nfs/dbraw/zinc/50/59/68/326505968.db2.gz OEVYRQORVNGAOG-HKUYNNGSSA-N 0 3 359.445 2.088 10 0 FEAEHN CC(C)CNC(=O)N1CCC[C@@H](C(=O)N[C@@H](CC(C)C)CN(C)C)C1 ZINC000132017322 326585677 /nfs/dbraw/zinc/58/56/77/326585677.db2.gz LVXCZTVCSCCNLI-SJORKVTESA-N 0 3 354.539 2.157 10 0 FEAEHN COc1ccc([C@H](C)NC(=O)C2(N)CCOCC2)cc1Br ZINC000132138382 326587563 /nfs/dbraw/zinc/58/75/63/326587563.db2.gz JFINCYWNRASNFY-JTQLQIEISA-N 0 3 357.248 2.143 10 0 FEAEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)c1ccnc(C(N)=O)c1 ZINC000132143420 326587720 /nfs/dbraw/zinc/58/77/20/326587720.db2.gz LWSDCVPLWDUXNM-FQEVSTJZSA-N 0 3 368.481 2.062 10 0 FEAEHN CCc1c(C(=O)N2CC[C@@H](N(C)C)C2)nnn1-c1ccc(OC(C)C)cc1 ZINC000132773286 326597829 /nfs/dbraw/zinc/59/78/29/326597829.db2.gz RTOYPJCKLGYJGM-MRXNPFEDSA-N 0 3 371.485 2.393 10 0 FEAEHN COc1ccccc1N1CC[C@H](N[C@@H]2CCc3nc(C(C)C)nn3C2)C1=O ZINC000151080744 326674398 /nfs/dbraw/zinc/67/43/98/326674398.db2.gz HBRGVKKABJGNJS-CABCVRRESA-N 0 3 369.469 2.120 10 0 FEAEHN O[C@@H](COCc1ccc(Cl)cc1)CN1CCC(Cn2ccnn2)CC1 ZINC000155906254 326810187 /nfs/dbraw/zinc/81/01/87/326810187.db2.gz KNYKWKQYZDIUPU-GOSISDBHSA-N 0 3 364.877 2.221 10 0 FEAEHN O[C@H](COc1cccc2[nH]ccc21)CN1CCC(Nc2cccnn2)CC1 ZINC000158940431 326913514 /nfs/dbraw/zinc/91/35/14/326913514.db2.gz XMSODOTYEKSICF-INIZCTEOSA-N 0 3 367.453 2.274 10 0 FEAEHN Cc1cc(NC(=O)CCN[C@H](C)c2ccc(S(C)(=O)=O)cc2)no1 ZINC000163378431 327049865 /nfs/dbraw/zinc/04/98/65/327049865.db2.gz RWOUUNYUGYRWIB-GFCCVEGCSA-N 0 3 351.428 2.066 10 0 FEAEHN C[C@@](O)(CN1CCc2c(cccc2NS(C)(=O)=O)C1)c1ccccc1 ZINC000170777234 327098644 /nfs/dbraw/zinc/09/86/44/327098644.db2.gz VAHTYAMDYBDFBC-LJQANCHMSA-N 0 3 360.479 2.324 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C2CCN(c3ccc4cccc(O)c4n3)CC2)C1 ZINC000170860067 327103133 /nfs/dbraw/zinc/10/31/33/327103133.db2.gz VPMHIULGXYJIKM-KRWDZBQOSA-N 0 3 368.481 2.319 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000170867962 327103960 /nfs/dbraw/zinc/10/39/60/327103960.db2.gz SWIFEEQDNFBIAP-DDNHJUOSSA-N 0 3 373.541 2.356 10 0 FEAEHN CC(C)COC[C@H](NC(=O)NC[C@@H](O)CN1CCCCC1)c1ccco1 ZINC000171219182 327125393 /nfs/dbraw/zinc/12/53/93/327125393.db2.gz AQKOREVHTZVYFD-SJORKVTESA-N 0 3 367.490 2.139 10 0 FEAEHN Cn1ccnc1COc1ccc(CN2CCC[C@H](n3cncn3)C2)cc1 ZINC000171705849 327156183 /nfs/dbraw/zinc/15/61/83/327156183.db2.gz NWUAQPWGAQVXNW-KRWDZBQOSA-N 0 3 352.442 2.428 10 0 FEAEHN CCS[C@H]1CCCCN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000171833323 327164483 /nfs/dbraw/zinc/16/44/83/327164483.db2.gz YBDNTRIFKUDNRU-GJZGRUSLSA-N 0 3 362.495 2.251 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)N[C@H]2CCOc3c(Cl)cccc32)CCO1 ZINC000172127436 327182335 /nfs/dbraw/zinc/18/23/35/327182335.db2.gz SUPSVIBNWUEYAL-DOMZBBRYSA-N 0 3 353.850 2.136 10 0 FEAEHN C[C@H](N[C@@H](C)c1cccs1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000172872723 327224033 /nfs/dbraw/zinc/22/40/33/327224033.db2.gz JTGRYNUAASSDEH-KBPBESRZSA-N 0 3 361.467 2.365 10 0 FEAEHN CN(C)C[C@H](NC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1 ZINC000172986149 327228451 /nfs/dbraw/zinc/22/84/51/327228451.db2.gz KDWZHPYJRPAYNV-AWEZNQCLSA-N 0 3 364.243 2.170 10 0 FEAEHN CCN(CC)[C@@H](C(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1)c1ccccc1 ZINC000173514582 327262724 /nfs/dbraw/zinc/26/27/24/327262724.db2.gz CWFCIZLENPWBDK-DLBZAZTESA-N 0 3 357.458 2.096 10 0 FEAEHN CCN(CC)[C@@H](C(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1)c1ccccc1 ZINC000173514582 327262725 /nfs/dbraw/zinc/26/27/25/327262725.db2.gz CWFCIZLENPWBDK-DLBZAZTESA-N 0 3 357.458 2.096 10 0 FEAEHN CC[NH+](CC)[C@@H](C(=O)N1CCO[C@H](c2nnc(C)[n-]2)C1)c1ccccc1 ZINC000173514582 327262727 /nfs/dbraw/zinc/26/27/27/327262727.db2.gz CWFCIZLENPWBDK-DLBZAZTESA-N 0 3 357.458 2.096 10 0 FEAEHN CC(C)n1cc(Br)cc1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000173521186 327263301 /nfs/dbraw/zinc/26/33/01/327263301.db2.gz YIEMTGHEXQQIEG-ZDUSSCGKSA-N 0 3 358.280 2.234 10 0 FEAEHN CN(CCCNC(=O)N1CCC[C@H](n2cncn2)C1)Cc1ccccc1 ZINC000173535942 327264620 /nfs/dbraw/zinc/26/46/20/327264620.db2.gz VJSUHFIKDWPKIG-SFHVURJKSA-N 0 3 356.474 2.147 10 0 FEAEHN Cc1ccccc1NC(=O)CCN[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000174659733 327342031 /nfs/dbraw/zinc/34/20/31/327342031.db2.gz UKBBRYMZCOJZFK-AWEZNQCLSA-N 0 3 361.467 2.322 10 0 FEAEHN COc1cccc(NC(=O)CCN2CCC(N(C)c3cccnn3)CC2)c1 ZINC000174781312 327350493 /nfs/dbraw/zinc/35/04/93/327350493.db2.gz BVIRTRDHCXPADQ-UHFFFAOYSA-N 0 3 369.469 2.415 10 0 FEAEHN COC[C@@H](C)CNC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000175099170 327374108 /nfs/dbraw/zinc/37/41/08/327374108.db2.gz XZMGPGWTVLXNMP-LPHOPBHVSA-N 0 3 363.502 2.014 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000175334794 327387690 /nfs/dbraw/zinc/38/76/90/327387690.db2.gz LNVHJUKKWPFWLE-MOPGFXCFSA-N 0 3 363.477 2.142 10 0 FEAEHN Cc1csc([C@H](NC(=O)NC[C@H](O)CN2CCCCC2)C2CC2)n1 ZINC000175835706 327416619 /nfs/dbraw/zinc/41/66/19/327416619.db2.gz OEBMYZRYEHZGDE-LSDHHAIUSA-N 0 3 352.504 2.049 10 0 FEAEHN CC(C)N1CCC[C@H](NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)C1=O ZINC000247115911 328669197 /nfs/dbraw/zinc/66/91/97/328669197.db2.gz WZPBMDPUAXUMJS-IKGGRYGDSA-N 0 3 365.543 2.499 10 0 FEAEHN N[C@H](C(=O)N[C@H]1CCc2c1cccc2Br)C1CCOCC1 ZINC000262031290 328836682 /nfs/dbraw/zinc/83/66/82/328836682.db2.gz PJLAOKGWHGHJNO-GJZGRUSLSA-N 0 3 353.260 2.307 10 0 FEAEHN Cc1csc(-c2cccc(S(=O)(=O)N[C@H]3CNCC[C@@H]3C)c2)n1 ZINC000262301593 328857708 /nfs/dbraw/zinc/85/77/08/328857708.db2.gz NZPOEAKXWNWOMX-NHYWBVRUSA-N 0 3 351.497 2.395 10 0 FEAEHN CN1CCNC[C@H]1c1noc(C2CCN(c3nc4ccccc4o3)CC2)n1 ZINC000263143976 328919495 /nfs/dbraw/zinc/91/94/95/328919495.db2.gz CNCKHAKFRJTSJF-HNNXBMFYSA-N 0 3 368.441 2.171 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(COc2ccc(Oc3ccccn3)cc2)n1 ZINC000263217406 328925957 /nfs/dbraw/zinc/92/59/57/328925957.db2.gz LCCSDHSZSKMLOT-MRXNPFEDSA-N 0 3 367.409 2.412 10 0 FEAEHN Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CCO[C@H](CN(C)C)C1 ZINC000155318439 545511095 /nfs/dbraw/zinc/51/10/95/545511095.db2.gz VBMZMSMRMRYGSJ-RBUKOAKNSA-N 0 3 364.530 2.295 10 0 FEAEHN Cc1cc(C)cc(OCc2noc(CN3CCO[C@@H](CN(C)C)C3)n2)c1 ZINC000155334008 545513372 /nfs/dbraw/zinc/51/33/72/545513372.db2.gz CZJOGZQVBGTPQF-KRWDZBQOSA-N 0 3 360.458 2.028 10 0 FEAEHN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000155400361 545521315 /nfs/dbraw/zinc/52/13/15/545521315.db2.gz JAMIVCSTAVZRQU-XMCHAPAWSA-N 0 3 370.497 2.060 10 0 FEAEHN COC(=O)[C@H](C)Oc1ccc(CN2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000156674158 545645674 /nfs/dbraw/zinc/64/56/74/545645674.db2.gz YGOSCDKCZPKDGY-RDJZCZTQSA-N 0 3 358.442 2.131 10 0 FEAEHN COc1ccccc1[C@@H](CNC(=O)N1CC[C@@H](N(C)C)C1)N1CCCC1 ZINC000170862939 546180580 /nfs/dbraw/zinc/18/05/80/546180580.db2.gz OTZSPHGLTHKXMB-SJLPKXTDSA-N 0 3 360.502 2.178 10 0 FEAEHN CC[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CCN1C[C@@H](C)O ZINC000174614855 546299904 /nfs/dbraw/zinc/29/99/04/546299904.db2.gz MFNCMXXOWUFFCY-CJNGLKHVSA-N 0 3 360.433 2.133 10 0 FEAEHN CCN(Cc1ccccc1)C(=O)[C@H](C)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000175588946 546315888 /nfs/dbraw/zinc/31/58/88/546315888.db2.gz UQNZXRTUPVGBRY-CMKODMSKSA-N 0 3 359.514 2.076 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NCCC2CCN(CC(F)(F)F)CC2)C1 ZINC000175668879 546330465 /nfs/dbraw/zinc/33/04/65/546330465.db2.gz YSDQBKRERIFMHV-HNNXBMFYSA-N 0 3 364.456 2.434 10 0 FEAEHN CCN1CCN(CCC(=O)NC2(c3noc(C(C)C)n3)CCCC2)CC1 ZINC000175809879 546355344 /nfs/dbraw/zinc/35/53/44/546355344.db2.gz RMKDOEYXWFQACH-UHFFFAOYSA-N 0 3 363.506 2.106 10 0 FEAEHN COc1ccccc1C[C@@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)C(C)C ZINC000176175039 546416348 /nfs/dbraw/zinc/41/63/48/546416348.db2.gz KTUJEUNVIYYAGL-ZWKOTPCHSA-N 0 3 363.502 2.234 10 0 FEAEHN CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000176519901 546456851 /nfs/dbraw/zinc/45/68/51/546456851.db2.gz GLYWUEMFLIZLDT-IRXDYDNUSA-N 0 3 365.543 2.454 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(N(C)C(C)C)c1 ZINC000176888295 546500829 /nfs/dbraw/zinc/50/08/29/546500829.db2.gz XMHPZMPXSRVINT-SFHVURJKSA-N 0 3 360.502 2.412 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccccc1Br ZINC000176892210 546501561 /nfs/dbraw/zinc/50/15/61/546501561.db2.gz MCKULCKELCNYFN-GFCCVEGCSA-N 0 3 368.275 2.330 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccccc1OCC1CC1 ZINC000176907076 546505805 /nfs/dbraw/zinc/50/58/05/546505805.db2.gz JYBPGRYBQWWBMK-MRXNPFEDSA-N 0 3 359.470 2.357 10 0 FEAEHN CCn1ccnc1CS(=O)(=O)C(C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000176908608 546506129 /nfs/dbraw/zinc/50/61/29/546506129.db2.gz XFXHXCUXNHIFDC-HUUCEWRRSA-N 0 3 363.483 2.126 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000177392415 546608840 /nfs/dbraw/zinc/60/88/40/546608840.db2.gz SUYBSHVYJVNRJK-FQEVSTJZSA-N 0 3 374.529 2.145 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000178286557 546769214 /nfs/dbraw/zinc/76/92/14/546769214.db2.gz LOSKTFFKRYWYPX-QGZVFWFLSA-N 0 3 362.499 2.106 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)COc2ccccc2Cl)CCN1CCOC ZINC000178609264 546820245 /nfs/dbraw/zinc/82/02/45/546820245.db2.gz HTCCQILIDKDCMY-CVEARBPZSA-N 0 3 356.894 2.122 10 0 FEAEHN CCOC(=O)c1ccc(NC(=O)CN2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000178751527 546843030 /nfs/dbraw/zinc/84/30/30/546843030.db2.gz CEPHYFLJIXOXFE-SFHVURJKSA-N 0 3 370.453 2.471 10 0 FEAEHN CCNC(=O)c1cccc(NC(=O)CN2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000178754525 546844745 /nfs/dbraw/zinc/84/47/45/546844745.db2.gz RREWEZXWNZAMAN-GOSISDBHSA-N 0 3 369.469 2.044 10 0 FEAEHN CNc1cc(N2CCC[C@@H]2CNCc2cn(C)nc2C(C)(C)C)ncn1 ZINC000179424128 546950671 /nfs/dbraw/zinc/95/06/71/546950671.db2.gz ATFJOHNIKVOOQA-OAHLLOKOSA-N 0 3 357.506 2.308 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1Cc1ccccc1OCC(=O)N(C)C ZINC000180128544 547056307 /nfs/dbraw/zinc/05/63/07/547056307.db2.gz SGVGGHKYNMKYSZ-GOSISDBHSA-N 0 3 356.470 2.323 10 0 FEAEHN CCc1onc(C)c1NC(=O)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000180906798 547207007 /nfs/dbraw/zinc/20/70/07/547207007.db2.gz KHXAZERYJSMACM-ZDUSSCGKSA-N 0 3 358.442 2.121 10 0 FEAEHN Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@@H](C)c1ccccc1C ZINC000181541891 547331129 /nfs/dbraw/zinc/33/11/29/547331129.db2.gz ZFYLWMGFDXTIRW-AWEZNQCLSA-N 0 3 361.467 2.240 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)C1CCN(c2cnccn2)CC1 ZINC000182069557 547432129 /nfs/dbraw/zinc/43/21/29/547432129.db2.gz DEJSYFKEOHHLJR-KRWDZBQOSA-N 0 3 367.497 2.330 10 0 FEAEHN CC[C@H]1CN(C[C@H](O)COc2cc(C)ccc2Cl)CCN1CCOC ZINC000182341879 547475881 /nfs/dbraw/zinc/47/58/81/547475881.db2.gz HRDVRCZGPSKKOY-IRXDYDNUSA-N 0 3 370.921 2.431 10 0 FEAEHN COc1ccc(C[C@H](C)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)cc1 ZINC000182354140 547476954 /nfs/dbraw/zinc/47/69/54/547476954.db2.gz NARYLPFXQBRJBN-KBXCAEBGSA-N 0 3 356.470 2.453 10 0 FEAEHN C[C@@H](Sc1nnnn1C1CC1)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000182524540 547508886 /nfs/dbraw/zinc/50/88/86/547508886.db2.gz ZMIXBFZLSBHLOE-UONOGXRCSA-N 0 3 374.514 2.125 10 0 FEAEHN CCC[C@H]1C[C@H](C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)CCO1 ZINC000183788854 547719497 /nfs/dbraw/zinc/71/94/97/547719497.db2.gz ZTXPENFSFAJIJP-MOPGFXCFSA-N 0 3 374.529 2.387 10 0 FEAEHN O=C(Nc1ccc(CN2C(=O)CCCC2=O)cc1)N1CCN2CCC[C@H]2C1 ZINC000184163667 547778997 /nfs/dbraw/zinc/77/89/97/547778997.db2.gz WQLSQRIZAZTYIO-KRWDZBQOSA-N 0 3 370.453 2.038 10 0 FEAEHN COc1ccccc1S(=O)(=O)CCCN1CCC(c2ccn[nH]2)CC1 ZINC000184193835 547784743 /nfs/dbraw/zinc/78/47/43/547784743.db2.gz ZGVIJAORRWUCRU-UHFFFAOYSA-N 0 3 363.483 2.462 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1CCCS(=O)(=O)c1ccccc1OC ZINC000184266341 547796677 /nfs/dbraw/zinc/79/66/77/547796677.db2.gz IBMUWNWJMSLQSN-IAGOWNOFSA-N 0 3 366.527 2.418 10 0 FEAEHN CC[N@@H+]1CCC[C@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000186012892 548072897 /nfs/dbraw/zinc/07/28/97/548072897.db2.gz JMEHBTLFMWTXLU-AWEZNQCLSA-N 0 3 372.425 2.155 10 0 FEAEHN CC[N@H+]1CCC[C@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000186012892 548072900 /nfs/dbraw/zinc/07/29/00/548072900.db2.gz JMEHBTLFMWTXLU-AWEZNQCLSA-N 0 3 372.425 2.155 10 0 FEAEHN Cc1cccc(CNC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)n1 ZINC000190698330 548331889 /nfs/dbraw/zinc/33/18/89/548331889.db2.gz AGWGVFAAGIATSJ-GOSISDBHSA-N 0 3 353.470 2.449 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)C1 ZINC000194176951 548445462 /nfs/dbraw/zinc/44/54/62/548445462.db2.gz VPDOZIBVOSGYGN-SFHVURJKSA-N 0 3 364.534 2.295 10 0 FEAEHN COc1ccccc1NC(=O)CN1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195283736 548612263 /nfs/dbraw/zinc/61/22/63/548612263.db2.gz RMFSYBNLFQEZHD-SFHVURJKSA-N 0 3 368.481 2.483 10 0 FEAEHN O=C(CCCNC(=O)NC[C@H]1CCCCN1Cc1ccccc1)NC1CC1 ZINC000195302994 548618172 /nfs/dbraw/zinc/61/81/72/548618172.db2.gz PGOLTLHAFGTRFQ-LJQANCHMSA-N 0 3 372.513 2.399 10 0 FEAEHN COc1cc(C(C)=O)ccc1OCCCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000195333145 548625822 /nfs/dbraw/zinc/62/58/22/548625822.db2.gz ROVQVBGJBSUSRJ-QGZVFWFLSA-N 0 3 360.454 2.363 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC000245429704 548917224 /nfs/dbraw/zinc/91/72/24/548917224.db2.gz KWXXHNHLEISSIW-IEBWSBKVSA-N 0 3 361.486 2.205 10 0 FEAEHN CCN1CCC[C@H]1CN(C)[C@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000245463571 548927275 /nfs/dbraw/zinc/92/72/75/548927275.db2.gz HFQDCIWDNFJNGP-ZFWWWQNUSA-N 0 3 365.499 2.056 10 0 FEAEHN CCN1CCC[C@H]1CN(C)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000245469206 548930020 /nfs/dbraw/zinc/93/00/20/548930020.db2.gz LNVHJUKKWPFWLE-RBUKOAKNSA-N 0 3 363.477 2.142 10 0 FEAEHN COc1ccc(-n2nc(C(=O)N3C[C@H]4CCCN4C[C@H]3C)cc2C)cc1 ZINC000245595576 548953921 /nfs/dbraw/zinc/95/39/21/548953921.db2.gz IISIIICRDDSLEN-NVXWUHKLSA-N 0 3 354.454 2.498 10 0 FEAEHN COc1ccc(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1OC(F)F ZINC000245763154 548990446 /nfs/dbraw/zinc/99/04/46/548990446.db2.gz QEGLJYHNYJNSSD-UKRRQHHQSA-N 0 3 356.413 2.449 10 0 FEAEHN COc1ccc(-c2n[nH]cc2CN2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000245779285 548993881 /nfs/dbraw/zinc/99/38/81/548993881.db2.gz UBANOJZKNGCPTN-HNAYVOBHSA-N 0 3 356.470 2.238 10 0 FEAEHN CCC[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)N(C)C)CCN1CCOC ZINC000245912379 549017144 /nfs/dbraw/zinc/01/71/44/549017144.db2.gz MRHDISGAWUQNCR-UXHICEINSA-N 0 3 361.530 2.119 10 0 FEAEHN C[C@H](CNc1cc(N2CCC[C@H]2CO)ncn1)N(C)Cc1ccccc1 ZINC000246053492 549042254 /nfs/dbraw/zinc/04/22/54/549042254.db2.gz DWGATOJKMPOAQB-AEFFLSMTSA-N 0 3 355.486 2.370 10 0 FEAEHN Cc1ccc(NC(=O)CN2CCN3CCC[C@H]3C2)c(Br)c1 ZINC000246256159 549090542 /nfs/dbraw/zinc/09/05/42/549090542.db2.gz FUUISIHAQIWDOE-ZDUSSCGKSA-N 0 3 352.276 2.476 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(F)cc2OC(F)F)C1 ZINC000246300690 549099708 /nfs/dbraw/zinc/09/97/08/549099708.db2.gz DADPAXMPGFFOES-ZWNOBZJWSA-N 0 3 373.375 2.211 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000246549362 549158036 /nfs/dbraw/zinc/15/80/36/549158036.db2.gz KHLXGZRFFOCLQJ-RYUDHWBXSA-N 0 3 358.408 2.476 10 0 FEAEHN C[C@@H]1CN(C[C@@H](O)COc2ccc3ccccc3c2)C[C@H]1N1CCOCC1 ZINC000246619785 549176820 /nfs/dbraw/zinc/17/68/20/549176820.db2.gz YQYBWSJMOOLLJB-NQSCKRDGSA-N 0 3 370.493 2.232 10 0 FEAEHN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1 ZINC000246749738 549204596 /nfs/dbraw/zinc/20/45/96/549204596.db2.gz GTJDBCVJRYOZEU-NZSAHSFTSA-N 0 3 355.482 2.181 10 0 FEAEHN CCOCCN1CCN(C(=O)NC[C@H](c2ccco2)N(C)C)C[C@H]1CC ZINC000246901001 549238894 /nfs/dbraw/zinc/23/88/94/549238894.db2.gz AIIKLLFZBCSNKX-IAGOWNOFSA-N 0 3 366.506 2.025 10 0 FEAEHN C[C@H](O)CN1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)C[C@@H]1C ZINC000246905959 549240280 /nfs/dbraw/zinc/24/02/80/549240280.db2.gz AAEZFYFRRSJKFF-ROUUACIJSA-N 0 3 359.514 2.200 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CCO1 ZINC000246962904 549253042 /nfs/dbraw/zinc/25/30/42/549253042.db2.gz JWRVCOFLISGMID-OWCLPIDISA-N 0 3 367.287 2.342 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)N1CCN(CCOC)[C@@H](C)C1)c1ccco1 ZINC000247013454 549265815 /nfs/dbraw/zinc/26/58/15/549265815.db2.gz HFUXBWICSRKFCA-IRXDYDNUSA-N 0 3 366.506 2.025 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccc(Br)c1 ZINC000247070134 549276130 /nfs/dbraw/zinc/27/61/30/549276130.db2.gz HMUMGMGVEFCQMJ-YPMHNXCESA-N 0 3 359.289 2.306 10 0 FEAEHN C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCC[C@@H](Cn2cncn2)C1 ZINC000247868036 549387117 /nfs/dbraw/zinc/38/71/17/549387117.db2.gz WZMBPRLKYLZOPF-BRWVUGGUSA-N 0 3 353.470 2.356 10 0 FEAEHN CN1C(=O)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)[C@H]1c1ccc(F)cc1 ZINC000248031940 549401233 /nfs/dbraw/zinc/40/12/33/549401233.db2.gz KJNVAVNBLDQAPZ-VUHPKUFZSA-N 0 3 359.445 2.040 10 0 FEAEHN COC(=O)[C@H](N[C@@H]1CN(C(C)C)C[C@@H]1C)c1cc(OC)cc(OC)c1 ZINC000248053484 549403532 /nfs/dbraw/zinc/40/35/32/549403532.db2.gz WWRZONFQDHLACA-MORSLUCNSA-N 0 3 350.459 2.236 10 0 FEAEHN Cc1ccc(Cl)c(OC[C@H](O)CN2CCC[C@@H](n3cncn3)C2)c1 ZINC000248577778 549462383 /nfs/dbraw/zinc/46/23/83/549462383.db2.gz NWJSYIJJSNGNFB-HUUCEWRRSA-N 0 3 350.850 2.317 10 0 FEAEHN CO[C@@H](C)c1noc(CN2CC[C@@H](CN(C)Cc3scnc3C)C2)n1 ZINC000248643769 549474831 /nfs/dbraw/zinc/47/48/31/549474831.db2.gz DZAFRRRIAKXNKI-KBPBESRZSA-N 0 3 365.503 2.496 10 0 FEAEHN Cc1ncc(-c2ccc(NC(=O)C(=O)N3C[C@H]4CCCN4C[C@H]3C)cc2)o1 ZINC000249175271 549564855 /nfs/dbraw/zinc/56/48/55/549564855.db2.gz MATVFIGLVRKIEX-CXAGYDPISA-N 0 3 368.437 2.284 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000249244965 549572514 /nfs/dbraw/zinc/57/25/14/549572514.db2.gz XDNITCSXBBOJSP-SJORKVTESA-N 0 3 367.453 2.100 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)C1 ZINC000249613313 549611600 /nfs/dbraw/zinc/61/16/00/549611600.db2.gz JESUJOBIBBVKBZ-DLBZAZTESA-N 0 3 360.458 2.410 10 0 FEAEHN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCN(CC)C1 ZINC000249614869 549612316 /nfs/dbraw/zinc/61/23/16/549612316.db2.gz ZXLPPYSKFUWSCD-SJLPKXTDSA-N 0 3 373.497 2.290 10 0 FEAEHN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000249816771 549631750 /nfs/dbraw/zinc/63/17/50/549631750.db2.gz CDAIBWPFJAUCDM-RDJZCZTQSA-N 0 3 361.511 2.362 10 0 FEAEHN CCc1csc([C@@H]2CCCN(C[C@@H](O)COC[C@H]3CCCO3)C2)n1 ZINC000249856043 549633047 /nfs/dbraw/zinc/63/30/47/549633047.db2.gz DFJAFHGPZQVVMC-DJIMGWMZSA-N 0 3 354.516 2.441 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCOC2)C1 ZINC000251949986 549658944 /nfs/dbraw/zinc/65/89/44/549658944.db2.gz UYFUZZFRDZYCFJ-CVEARBPZSA-N 0 3 366.531 2.341 10 0 FEAEHN CN(Cc1ccncc1)C[C@@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)O1 ZINC000257192166 549715390 /nfs/dbraw/zinc/71/53/90/549715390.db2.gz SSKZIHVLTAQPHV-FQEVSTJZSA-N 0 3 369.513 2.461 10 0 FEAEHN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)C2(N)CCOCC2)cc1 ZINC000261876664 549765120 /nfs/dbraw/zinc/76/51/20/549765120.db2.gz OSKINBOHMRGLNU-CQSZACIVSA-N 0 3 362.474 2.245 10 0 FEAEHN CC(C)c1csc([C@H]2CCCN(CCC(=O)N3CCNCC3)C2)n1 ZINC000262008132 549779869 /nfs/dbraw/zinc/77/98/69/549779869.db2.gz FFJPNWJBKKWLSG-HNNXBMFYSA-N 0 3 350.532 2.268 10 0 FEAEHN COc1ccc(-c2ncc(-c3nc([C@@H]4CNCCN4C)no3)s2)cc1 ZINC000263187056 549884686 /nfs/dbraw/zinc/88/46/86/549884686.db2.gz HMLDULIJWJLBDE-ZDUSSCGKSA-N 0 3 357.439 2.445 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(COc2ccccc2OCC(F)(F)F)n1 ZINC000263275966 549891645 /nfs/dbraw/zinc/89/16/45/549891645.db2.gz SVMHYWDTKRNYRU-LLVKDONJSA-N 0 3 372.347 2.166 10 0 FEAEHN Cn1ncc(N2CCC[C@@H](N3CCCCCC3)C2)c(Br)c1=O ZINC000301246136 553635155 /nfs/dbraw/zinc/63/51/55/553635155.db2.gz PZITULYAWNLJHI-CYBMUJFWSA-N 0 3 369.307 2.388 10 0 FEAEHN CN1CCC[C@@H](N2CCN(c3nn4cc(C(C)(C)C)nc4s3)CC2)C1 ZINC000301270021 553637345 /nfs/dbraw/zinc/63/73/45/553637345.db2.gz HMSGMFUCIFKSQS-CQSZACIVSA-N 0 3 362.547 2.305 10 0 FEAEHN Cc1cccc2c(N3CCN(S(=O)(=O)Cc4ccon4)CC3)ccnc12 ZINC000301667383 553670094 /nfs/dbraw/zinc/67/00/94/553670094.db2.gz MFTDTCQLBVAHMA-UHFFFAOYSA-N 0 3 372.450 2.183 10 0 FEAEHN Cc1cccc2c(N3CCN(CC(=O)Nc4nncs4)CC3)ccnc12 ZINC000302018916 553698450 /nfs/dbraw/zinc/69/84/50/553698450.db2.gz GWJICLHSGKMQIB-UHFFFAOYSA-N 0 3 368.466 2.155 10 0 FEAEHN O=c1[nH]ccnc1N1CCC[C@@H](N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000328653471 553802265 /nfs/dbraw/zinc/80/22/65/553802265.db2.gz WWKKBANQBVJIEQ-RBUKOAKNSA-N 0 3 367.497 2.405 10 0 FEAEHN CC[C@@H]1CN(Cn2nc(-c3ccncc3)oc2=S)CCN1CCOC ZINC000117325330 670914941 /nfs/dbraw/zinc/91/49/41/670914941.db2.gz ZONRZWTVWFEUJJ-OAHLLOKOSA-N 0 3 363.487 2.268 10 0 FEAEHN CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000123355586 671978464 /nfs/dbraw/zinc/97/84/64/671978464.db2.gz FIPBUUOVCZFBLP-ZWKOTPCHSA-N 0 3 361.511 2.079 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000153690626 672202939 /nfs/dbraw/zinc/20/29/39/672202939.db2.gz UWDFXFNTNPFIPB-IAQYHMDHSA-N 0 3 355.841 2.137 10 0 FEAEHN CCOC(=O)N1CCC([C@H](C)NC(=O)N[C@H]2CCCN(CC)C2)CC1 ZINC000187068878 672561668 /nfs/dbraw/zinc/56/16/68/672561668.db2.gz OUYXSJGRFKZFLI-HOCLYGCPSA-N 0 3 354.495 2.027 10 0 FEAEHN C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)/C=C\c2ccc(F)cc2)CC1 ZINC000255724356 672895948 /nfs/dbraw/zinc/89/59/48/672895948.db2.gz ARCONYFFQPKEDI-HMVFGEFZSA-N 0 3 370.490 2.151 10 0 FEAEHN Cn1cnnc1Sc1ccc(NC(=O)C2(N)CCOCC2)cc1Cl ZINC000261941052 672905316 /nfs/dbraw/zinc/90/53/16/672905316.db2.gz XMKKTIFKGIMMDD-UHFFFAOYSA-N 0 3 367.862 2.066 10 0 FEAEHN CO[C@@H]1CN(Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@H]1c1c[nH]nn1 ZINC000668577057 679186634 /nfs/dbraw/zinc/18/66/34/679186634.db2.gz QKCINCLVNUMKHN-GOEBONIOSA-N 0 3 358.833 2.463 10 0 FEAEHN Cc1cc(C(=O)N2CCC[C@@H](N(C)CCc3ccccc3)C2)nc(N)n1 ZINC000012574580 539565568 /nfs/dbraw/zinc/56/55/68/539565568.db2.gz PNUWXJIJDJCWKS-QGZVFWFLSA-N 0 3 353.470 2.146 10 0 FEAEHN COCc1cc(=O)[n-]c(-c2ccccc2C[N@@H+]2CC[C@@H](n3ccnc3)C2)n1 ZINC000023541640 539715819 /nfs/dbraw/zinc/71/58/19/539715819.db2.gz GUHVCYULKUNREC-QGZVFWFLSA-N 0 3 365.437 2.227 10 0 FEAEHN COCc1cc(=O)[n-]c(-c2ccccc2C[N@H+]2CC[C@@H](n3ccnc3)C2)n1 ZINC000023541640 539715823 /nfs/dbraw/zinc/71/58/23/539715823.db2.gz GUHVCYULKUNREC-QGZVFWFLSA-N 0 3 365.437 2.227 10 0 FEAEHN Cc1cccc2c1ncn(CC(=O)N[C@@H](CN(C)C)c1ccccc1)c2=O ZINC000024537946 539734280 /nfs/dbraw/zinc/73/42/80/539734280.db2.gz VPZILFLAMJRBAN-SFHVURJKSA-N 0 3 364.449 2.124 10 0 FEAEHN C[C@@H]1Oc2ccccc2N(CC(=O)N[C@H](CN(C)C)c2ccccc2)C1=O ZINC000029953925 539870075 /nfs/dbraw/zinc/87/00/75/539870075.db2.gz VWYJOJBFEQXQHN-DOTOQJQBSA-N 0 3 367.449 2.220 10 0 FEAEHN CN(C)C[C@H](NC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC000045185463 540206039 /nfs/dbraw/zinc/20/60/39/540206039.db2.gz GYIJHOXBWGXLHW-HOCLYGCPSA-N 0 3 372.435 2.473 10 0 FEAEHN CN(C)C[C@@H](NC(=O)NCc1ccc(C(=O)N(C)C)cc1)c1ccccc1 ZINC000048217015 540351700 /nfs/dbraw/zinc/35/17/00/540351700.db2.gz AJYJQDBXKNZFJS-LJQANCHMSA-N 0 3 368.481 2.491 10 0 FEAEHN CN(C)C[C@@H](NC(=O)NCCc1cn2ccccc2n1)c1ccccc1 ZINC000048216985 540351795 /nfs/dbraw/zinc/35/17/95/540351795.db2.gz BXLOWBBZGBVLNY-GOSISDBHSA-N 0 3 351.454 2.479 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)N[C@@H]1CCc2c1cccc2Cl ZINC000056901670 540754467 /nfs/dbraw/zinc/75/44/67/540754467.db2.gz LQIFODKKQPXXFS-SUMWQHHRSA-N 0 3 351.878 2.473 10 0 FEAEHN C[C@@H](CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)N1CCOCC1 ZINC000247385289 549326992 /nfs/dbraw/zinc/32/69/92/549326992.db2.gz FYABSNUKBSQNAY-OALUTQOASA-N 0 3 374.529 2.013 10 0 FEAEHN CN(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000006725237 204262897 /nfs/dbraw/zinc/26/28/97/204262897.db2.gz PZZSKKKPOYHBAF-DLBZAZTESA-N 0 3 357.479 2.336 10 0 FEAEHN COCCN(CCOC)[C@H](CN)c1ccc(OC)c(Br)c1 ZINC000038052179 204790139 /nfs/dbraw/zinc/79/01/39/204790139.db2.gz KFVSTIARYFCIGF-CQSZACIVSA-N 0 3 361.280 2.052 10 0 FEAEHN CN1CCN(Nc2ncnc(Sc3ccc(Cl)cc3)c2N)CC1 ZINC000040723000 205078871 /nfs/dbraw/zinc/07/88/71/205078871.db2.gz UIUFENDVXILQQB-UHFFFAOYSA-N 0 3 350.879 2.438 10 0 FEAEHN CCN1CCN(c2ccc(N)cc2NC(=O)COc2ccccc2)CC1 ZINC000226260087 132374706 /nfs/dbraw/zinc/37/47/06/132374706.db2.gz DTQNWFSXPNEFMV-UHFFFAOYSA-N 0 3 354.454 2.428 10 0 FEAEHN CN(C)C(=O)COc1ccccc1CN1CC[C@H](CNc2ccccn2)C1 ZINC000092812727 542887676 /nfs/dbraw/zinc/88/76/76/542887676.db2.gz SZWZDQUUKZSFOG-QGZVFWFLSA-N 0 3 368.481 2.483 10 0 FEAEHN CC(C)c1nc(Nc2cnn(CCN3CCCCC3)c2)nc(N(C)C)n1 ZINC000092978291 542899777 /nfs/dbraw/zinc/89/97/77/542899777.db2.gz DEODFBAQNHRKHM-UHFFFAOYSA-N 0 3 358.494 2.487 10 0 FEAEHN CN(CC1CCN(C)CC1)C(=O)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000103452070 543108083 /nfs/dbraw/zinc/10/80/83/543108083.db2.gz GKTYAFWVAPZSJA-IBGZPJMESA-N 0 3 359.495 2.416 10 0 FEAEHN CCn1cnnc1[C@@H]1CCCN(CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000103476746 543110083 /nfs/dbraw/zinc/11/00/83/543110083.db2.gz LTVGPRHTXYKBCA-OAHLLOKOSA-N 0 3 370.457 2.216 10 0 FEAEHN CCn1cnnc1[C@@H]1CCCN(C[C@H](O)COCc2ccc(OC)cc2)C1 ZINC000103475452 543110341 /nfs/dbraw/zinc/11/03/41/543110341.db2.gz GEYKRZJQVMAMSK-MSOLQXFVSA-N 0 3 374.485 2.064 10 0 FEAEHN Cc1ccc(C)c(OC[C@@H](O)CN(C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000106074997 543189673 /nfs/dbraw/zinc/18/96/73/543189673.db2.gz HTWNLZDBCDAIMK-MOPGFXCFSA-N 0 3 370.497 2.434 10 0 FEAEHN CCOc1ccc(OCCN2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000106155699 543210664 /nfs/dbraw/zinc/21/06/64/543210664.db2.gz NELFWZWCCYESIN-UHFFFAOYSA-N 0 3 358.486 2.406 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)COc2c(C)cccc2C)CCN1CCOC ZINC000106114446 543201508 /nfs/dbraw/zinc/20/15/08/543201508.db2.gz UJLNGYULZJGNDT-MOPGFXCFSA-N 0 3 350.503 2.086 10 0 FEAEHN CCCn1cc(CN2CCCN(C(=O)[C@@H]3CCCCN3CC)CC2)cn1 ZINC000109664645 543333331 /nfs/dbraw/zinc/33/33/31/543333331.db2.gz BPBJMXOQBLHNHO-IBGZPJMESA-N 0 3 361.534 2.202 10 0 FEAEHN C[C@H](N[C@@H]1CCc2ncnn2C1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000111690534 543411632 /nfs/dbraw/zinc/41/16/32/543411632.db2.gz HRKLALHVXAAUIJ-YZVOILCLSA-N 0 3 367.497 2.327 10 0 FEAEHN C[C@H](O)CN1CCC(CN(C)C(=O)C(=O)c2ccc(Cl)cc2)CC1 ZINC000112712097 543459375 /nfs/dbraw/zinc/45/93/75/543459375.db2.gz MWNAUHDXYJIDHB-ZDUSSCGKSA-N 0 3 352.862 2.074 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)N[C@H]1CCc2ncnn2C1)c1ccsc1 ZINC000112742933 543462496 /nfs/dbraw/zinc/46/24/96/543462496.db2.gz BUAPGMNDSPXPQZ-LSDHHAIUSA-N 0 3 362.503 2.037 10 0 FEAEHN CC(C)Cn1nc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c2ccccc2c1=O ZINC000113226783 543477839 /nfs/dbraw/zinc/47/78/39/543477839.db2.gz BTJHBUJLYIXIEU-JKSUJKDBSA-N 0 3 368.481 2.361 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)nc1 ZINC000114413894 543514773 /nfs/dbraw/zinc/51/47/73/543514773.db2.gz RNIMZNKOHJJNDE-UHFFFAOYSA-N 0 3 356.445 2.174 10 0 FEAEHN C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000114414160 543514850 /nfs/dbraw/zinc/51/48/50/543514850.db2.gz PCCIUPNRGOHPOO-QGZVFWFLSA-N 0 3 368.481 2.259 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)C1 ZINC000115807049 543587446 /nfs/dbraw/zinc/58/74/46/543587446.db2.gz RBMMXZACLGFXOV-BBRMVZONSA-N 0 3 354.445 2.351 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)C1 ZINC000247470570 549339141 /nfs/dbraw/zinc/33/91/41/549339141.db2.gz VFYSTVIAPYRQCL-QRQLOZEOSA-N 0 3 357.498 2.065 10 0 FEAEHN Cc1cc(Cl)ccc1OCCCNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000117038891 543621435 /nfs/dbraw/zinc/62/14/35/543621435.db2.gz WBVLVSBRACIAQN-INIZCTEOSA-N 0 3 369.893 2.389 10 0 FEAEHN C[C@@H](C(=O)N1CCO[C@@H](CN(C)C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000116791106 543615678 /nfs/dbraw/zinc/61/56/78/543615678.db2.gz LEOWLVRVVWWQPT-RXVVDRJESA-N 0 3 373.541 2.119 10 0 FEAEHN CC(C)(CNC(=O)NC[C@H](O)CN1CCCCC1)c1cccc(F)c1 ZINC000118585990 543653509 /nfs/dbraw/zinc/65/35/09/543653509.db2.gz ZQMIUBIFDARDLD-KRWDZBQOSA-N 0 3 351.466 2.249 10 0 FEAEHN CCC[C@H](C(=O)N1CCC(C(=O)NCCc2cccs2)CC1)N(C)C ZINC000123986237 543794506 /nfs/dbraw/zinc/79/45/06/543794506.db2.gz OLLBIFIWGVFJOY-QGZVFWFLSA-N 0 3 365.543 2.376 10 0 FEAEHN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CC[C@@H](N(C)C)C1)CC2 ZINC000130457024 544152126 /nfs/dbraw/zinc/15/21/26/544152126.db2.gz OGFPMCRGZNNFBR-VXGBXAGGSA-N 0 3 356.392 2.071 10 0 FEAEHN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CC[C@@H](N(C)C)C1)CC2 ZINC000130457212 544152261 /nfs/dbraw/zinc/15/22/61/544152261.db2.gz OGFPMCRGZNNFBR-NWDGAFQWSA-N 0 3 356.392 2.071 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(F)ccc1OC(F)F ZINC000130698816 544161457 /nfs/dbraw/zinc/16/14/57/544161457.db2.gz PVASYXIQWXLRHD-LBPRGKRZSA-N 0 3 373.375 2.308 10 0 FEAEHN CC[C@@H](O)CN1CCN(CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000137506460 544390889 /nfs/dbraw/zinc/39/08/89/544390889.db2.gz TVHNAOASLZKPQU-CQSZACIVSA-N 0 3 373.419 2.423 10 0 FEAEHN COc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c2cccnc12 ZINC000150786542 544471499 /nfs/dbraw/zinc/47/14/99/544471499.db2.gz JAYICTBQGNRUTK-BBRMVZONSA-N 0 3 370.453 2.027 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccccc2OCC2CC2)C1 ZINC000150792322 544472434 /nfs/dbraw/zinc/47/24/34/544472434.db2.gz WTULYXOUOBGPCV-PBHICJAKSA-N 0 3 359.470 2.259 10 0 FEAEHN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000151129971 544507590 /nfs/dbraw/zinc/50/75/90/544507590.db2.gz VODCFJXOAZZTEX-CXAGYDPISA-N 0 3 367.440 2.272 10 0 FEAEHN COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000151569909 544557228 /nfs/dbraw/zinc/55/72/28/544557228.db2.gz DKUZHQBNHIIKHF-OAHLLOKOSA-N 0 3 371.441 2.135 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000180998788 327711636 /nfs/dbraw/zinc/71/16/36/327711636.db2.gz LQAVDALKKYVYJZ-INIZCTEOSA-N 0 3 357.458 2.108 10 0 FEAEHN CN(C)C(=O)CC1CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000182236353 327767140 /nfs/dbraw/zinc/76/71/40/327767140.db2.gz JGSKLUUQOLDVOZ-SFHVURJKSA-N 0 3 368.905 2.408 10 0 FEAEHN CCCc1c(C(=O)N2CCO[C@H](CN(C)C)C2)cnn1-c1ccccc1 ZINC000182444507 327775853 /nfs/dbraw/zinc/77/58/53/327775853.db2.gz FQUYUFQEXDTACL-QGZVFWFLSA-N 0 3 356.470 2.227 10 0 FEAEHN Cc1nnc(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)s1 ZINC000185433596 327916299 /nfs/dbraw/zinc/91/62/99/327916299.db2.gz KBBWLGDGSRXINR-MRXNPFEDSA-N 0 3 360.483 2.022 10 0 FEAEHN Cc1ccc(Br)cc1CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000187648315 328037515 /nfs/dbraw/zinc/03/75/15/328037515.db2.gz TZIHSRRKEPXKFO-HNNXBMFYSA-N 0 3 370.291 2.230 10 0 FEAEHN C[C@@H]1CN(CCC2CCN(C(=O)c3cnn4ccncc34)CC2)C[C@@H](C)O1 ZINC000189904938 328175079 /nfs/dbraw/zinc/17/50/79/328175079.db2.gz GXBNRLUYJVAXSV-HZPDHXFCSA-N 0 3 371.485 2.081 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000190079969 328186480 /nfs/dbraw/zinc/18/64/80/328186480.db2.gz QHUGXZJLJDRTIB-GDBMZVCRSA-N 0 3 374.460 2.060 10 0 FEAEHN CC(C)n1ncc2ccc(NC(=O)C(=O)N3C[C@H]4CCCN4C[C@H]3C)cc21 ZINC000190093815 328187722 /nfs/dbraw/zinc/18/77/22/328187722.db2.gz POCYFEKBBRCUJX-RHSMWYFYSA-N 0 3 369.469 2.251 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(F)c(OC)cc1C ZINC000190337955 328201045 /nfs/dbraw/zinc/20/10/45/328201045.db2.gz ZJNHOYDNNPNYSC-UONOGXRCSA-N 0 3 363.433 2.166 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000190343700 328201346 /nfs/dbraw/zinc/20/13/46/328201346.db2.gz NAUSEBDNIXKZIP-DLBZAZTESA-N 0 3 368.437 2.365 10 0 FEAEHN CCC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2CC)cc1 ZINC000190342612 328201418 /nfs/dbraw/zinc/20/14/18/328201418.db2.gz RYXZMQXHUDSAHU-IAGOWNOFSA-N 0 3 372.469 2.059 10 0 FEAEHN CCC(=O)c1cccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2CC)c1 ZINC000190359691 328202765 /nfs/dbraw/zinc/20/27/65/328202765.db2.gz BGTPDUPFVIZGIE-DLBZAZTESA-N 0 3 357.454 2.303 10 0 FEAEHN CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)N2CCCCC2)CC1 ZINC000190494300 328211517 /nfs/dbraw/zinc/21/15/17/328211517.db2.gz CTHVVUMHYNBOHB-QGZVFWFLSA-N 0 3 367.534 2.127 10 0 FEAEHN CCc1ncc(NC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)cn1 ZINC000190507981 328212518 /nfs/dbraw/zinc/21/25/18/328212518.db2.gz SAMADEFGMUDSMV-MRXNPFEDSA-N 0 3 354.458 2.420 10 0 FEAEHN C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190610064 328219460 /nfs/dbraw/zinc/21/94/60/328219460.db2.gz SNNIFSFXOWNDAW-SJLPKXTDSA-N 0 3 374.529 2.303 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NCCc2cscn2)C1 ZINC000190728659 328228228 /nfs/dbraw/zinc/22/82/28/328228228.db2.gz BHWGXGBLMNKMHK-INIZCTEOSA-N 0 3 359.499 2.244 10 0 FEAEHN C[C@H]1OCCC[C@H]1C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000191266283 328257467 /nfs/dbraw/zinc/25/74/67/328257467.db2.gz ZAMJDMZISYHWTF-UYAOXDASSA-N 0 3 359.514 2.078 10 0 FEAEHN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000192081253 328298750 /nfs/dbraw/zinc/29/87/50/328298750.db2.gz NNSMSRWFADPDBG-JTQLQIEISA-N 0 3 372.252 2.247 10 0 FEAEHN COc1c(CNC[C@H]2CN(Cc3ccccc3)CCCO2)c(C)nn1C ZINC000192356998 328314858 /nfs/dbraw/zinc/31/48/58/328314858.db2.gz NLPJLGPLYLEXIE-SFHVURJKSA-N 0 3 358.486 2.118 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](NCc1ccc3c(c1)sc(=O)n3C)CC2 ZINC000192541292 328324579 /nfs/dbraw/zinc/32/45/79/328324579.db2.gz SGQCCLPXTNQHND-ZDUSSCGKSA-N 0 3 357.483 2.420 10 0 FEAEHN COc1ccc2ccccc2c1CNC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000192803817 328340593 /nfs/dbraw/zinc/34/05/93/328340593.db2.gz DEAXDQZQZGBRFY-QGZVFWFLSA-N 0 3 371.481 2.494 10 0 FEAEHN CCC[C@H](N)C(=O)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000236837419 328495843 /nfs/dbraw/zinc/49/58/43/328495843.db2.gz IRWHHARZTQYHMI-HOCLYGCPSA-N 0 3 357.458 2.069 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCc1ccc(Cn2cncn2)cc1 ZINC000079023334 325072939 /nfs/dbraw/zinc/07/29/39/325072939.db2.gz PXYCNBHNKCUVPD-GOSISDBHSA-N 0 3 358.490 2.102 10 0 FEAEHN CCn1ccnc1CS(=O)(=O)C(C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000083067009 325212627 /nfs/dbraw/zinc/21/26/27/325212627.db2.gz MPGLUKFHLJRATP-BYNSBNAKSA-N 0 3 355.504 2.147 10 0 FEAEHN CCn1ccnc1CS(=O)(=O)C(C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000083066856 325212753 /nfs/dbraw/zinc/21/27/53/325212753.db2.gz OKENFWFCGBHOHF-STQMWFEESA-N 0 3 367.446 2.223 10 0 FEAEHN CCCC(=O)N[C@H]1CCCN(CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000083170180 325214195 /nfs/dbraw/zinc/21/41/95/325214195.db2.gz VIPWGFUEGCHONP-AWEZNQCLSA-N 0 3 350.438 2.117 10 0 FEAEHN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cccc(CN(C)C)c1 ZINC000087035921 325271886 /nfs/dbraw/zinc/27/18/86/325271886.db2.gz ZNRFCJSLXVOUFI-INIZCTEOSA-N 0 3 356.474 2.236 10 0 FEAEHN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000087251263 325277757 /nfs/dbraw/zinc/27/77/57/325277757.db2.gz XJTLRFTWHZNAMI-JKSUJKDBSA-N 0 3 356.474 2.278 10 0 FEAEHN CN(c1cccnn1)C1CCN(CCC(=O)N2CCc3ccccc32)CC1 ZINC000106084122 325578015 /nfs/dbraw/zinc/57/80/15/325578015.db2.gz BODZGTIVNBFYBC-UHFFFAOYSA-N 0 3 365.481 2.357 10 0 FEAEHN CN(C(=O)[C@@H]1CCOc2ccccc21)C1CCN(CCn2cccn2)CC1 ZINC000109292957 325663816 /nfs/dbraw/zinc/66/38/16/325663816.db2.gz CCYQMHGBQDJBLJ-LJQANCHMSA-N 0 3 368.481 2.372 10 0 FEAEHN O=C1CCCN1C[C@H](O)CN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000111691325 325730760 /nfs/dbraw/zinc/73/07/60/325730760.db2.gz SMTGZNJKKLGGQN-MJGOQNOKSA-N 0 3 366.889 2.069 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)Nc1ccc3c(c1)OCO3)CC2 ZINC000112551654 325791149 /nfs/dbraw/zinc/79/11/49/325791149.db2.gz IONYSLNPDGXYNR-JSGCOSHPSA-N 0 3 371.441 2.062 10 0 FEAEHN C[C@H](Oc1ccccc1Br)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000116793083 326035668 /nfs/dbraw/zinc/03/56/68/326035668.db2.gz QKHBPOGOVHJYMK-QWHCGFSZSA-N 0 3 371.275 2.005 10 0 FEAEHN Cc1ccc(-c2cnc(CCC(=O)N3CCO[C@@H](CN(C)C)C3)o2)cc1 ZINC000116791965 326035759 /nfs/dbraw/zinc/03/57/59/326035759.db2.gz FXEXBMKJSOZUIE-KRWDZBQOSA-N 0 3 357.454 2.372 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2cc3c(cccc3OC(F)F)[nH]2)CCO1 ZINC000116793725 326035870 /nfs/dbraw/zinc/03/58/70/326035870.db2.gz XSLHKCLEZNDVKV-LLVKDONJSA-N 0 3 353.369 2.172 10 0 FEAEHN CCCCOc1ccc(C(=O)N2CCO[C@H](CN(C)C)C2)cc1OC ZINC000116794570 326036569 /nfs/dbraw/zinc/03/65/69/326036569.db2.gz DEXQIHZMBPBWLT-MRXNPFEDSA-N 0 3 350.459 2.277 10 0 FEAEHN CCCOc1cn(-c2ccccc2)nc1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000116796950 326036754 /nfs/dbraw/zinc/03/67/54/326036754.db2.gz ARGBKCMKWCNLGG-KRWDZBQOSA-N 0 3 372.469 2.064 10 0 FEAEHN Cc1nc(C)n(C[C@H]2CCCN(C(=O)N[C@H](CC(C)C)CN(C)C)C2)n1 ZINC000117034363 326048326 /nfs/dbraw/zinc/04/83/26/326048326.db2.gz ZDQZRMVBRUFWHE-ZWKOTPCHSA-N 0 3 364.538 2.293 10 0 FEAEHN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000117059093 326049776 /nfs/dbraw/zinc/04/97/76/326049776.db2.gz NXJVYWBGIBBGHH-GFCCVEGCSA-N 0 3 355.866 2.380 10 0 FEAEHN COc1cccc([C@@H](C)C(=O)NC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000119735256 326192724 /nfs/dbraw/zinc/19/27/24/326192724.db2.gz RAAZRMIVYCVFAV-UZLBHIALSA-N 0 3 368.477 2.334 10 0 FEAEHN CC(C)OCCN1CCC(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)CC1 ZINC000119894325 326210400 /nfs/dbraw/zinc/21/04/00/326210400.db2.gz SEPIFXZLYQWIMR-YLJYHZDGSA-N 0 3 367.534 2.212 10 0 FEAEHN CCc1noc(C)c1NC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000120230340 326242496 /nfs/dbraw/zinc/24/24/96/326242496.db2.gz PHSUUCVSRFYSTJ-UHFFFAOYSA-N 0 3 372.473 2.356 10 0 FEAEHN COc1ccc(Cl)cc1NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000121816203 326369731 /nfs/dbraw/zinc/36/97/31/326369731.db2.gz MFYFYSKFRIEVAP-CYBMUJFWSA-N 0 3 355.866 2.380 10 0 FEAEHN CCC[C@@H](C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)N(C)C ZINC000130259482 326553850 /nfs/dbraw/zinc/55/38/50/326553850.db2.gz CXNQZVVEOFXKPM-SFHVURJKSA-N 0 3 356.470 2.183 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCO1 ZINC000135015985 326634921 /nfs/dbraw/zinc/63/49/21/326634921.db2.gz NGMXTEGHLPBHSK-IBGZPJMESA-N 0 3 367.449 2.342 10 0 FEAEHN C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)CN(C)C)c1nnc2n1CCCC2 ZINC000137179155 326658591 /nfs/dbraw/zinc/65/85/91/326658591.db2.gz ALOHPKXGOXTIHY-WBVHZDCISA-N 0 3 370.501 2.148 10 0 FEAEHN C[C@@H]1CC[C@H](C(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)O1 ZINC000151221632 326677514 /nfs/dbraw/zinc/67/75/14/326677514.db2.gz LPYUMAQYPKTUJJ-GUDVDZBRSA-N 0 3 372.513 2.010 10 0 FEAEHN CN(C)C[C@H]1CN(CCC(=O)Nc2ccccc2Br)CCO1 ZINC000155333041 326784985 /nfs/dbraw/zinc/78/49/85/326784985.db2.gz JKOZVOUUXDNFQB-ZDUSSCGKSA-N 0 3 370.291 2.040 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H]1C(=O)NC)c1ccsc1 ZINC000155811538 326806012 /nfs/dbraw/zinc/80/60/12/326806012.db2.gz RIQLNVQRMRNNNV-CABCVRRESA-N 0 3 352.504 2.051 10 0 FEAEHN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCO[C@@H](CN(C)C)C1 ZINC000246234072 328601546 /nfs/dbraw/zinc/60/15/46/328601546.db2.gz CPFPRKXNQZPRDX-DOMZBBRYSA-N 0 3 370.291 2.039 10 0 FEAEHN COCCC1(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)CC1 ZINC000163921661 327061273 /nfs/dbraw/zinc/06/12/73/327061273.db2.gz NKHQTVICRCIILH-IBGZPJMESA-N 0 3 360.498 2.365 10 0 FEAEHN Cc1csc(-c2ccc(NC(=O)C(=O)N3CC[C@H](N(C)C)C3)cc2)n1 ZINC000170843755 327102291 /nfs/dbraw/zinc/10/22/91/327102291.db2.gz LYUNPGPMKZFAKA-HNNXBMFYSA-N 0 3 358.467 2.220 10 0 FEAEHN COc1ccc(NC(=O)CCN2CCC(Nc3cccnn3)CC2)cc1 ZINC000170940738 327108627 /nfs/dbraw/zinc/10/86/27/327108627.db2.gz IYRWBHHPSLBYJI-UHFFFAOYSA-N 0 3 355.442 2.390 10 0 FEAEHN Cc1c(C(=O)N2CCN3CCC[C@@H]3C2)nnn1-c1ccc(OC(C)C)cc1 ZINC000170999064 327111478 /nfs/dbraw/zinc/11/14/78/327111478.db2.gz BUMFZYFXSYVBST-QGZVFWFLSA-N 0 3 369.469 2.283 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)C1 ZINC000171164683 327121759 /nfs/dbraw/zinc/12/17/59/327121759.db2.gz BDDXVEVSEWPJDZ-DOTOQJQBSA-N 0 3 352.523 2.053 10 0 FEAEHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)N[C@@H]2CCCN(CC)C2)C1 ZINC000171351439 327134225 /nfs/dbraw/zinc/13/42/25/327134225.db2.gz DJBQMWZTARVEOC-GVDBMIGSSA-N 0 3 352.523 2.197 10 0 FEAEHN Cc1c(C(=O)N2CCN3CCC[C@@H]3C2)nnn1-c1cccc2cccnc21 ZINC000171744880 327158732 /nfs/dbraw/zinc/15/87/32/327158732.db2.gz ZSTZRTYPJGBSJO-MRXNPFEDSA-N 0 3 362.437 2.044 10 0 FEAEHN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171892030 327167723 /nfs/dbraw/zinc/16/77/23/327167723.db2.gz HLVQKPIZHFMCDU-MRXNPFEDSA-N 0 3 372.469 2.243 10 0 FEAEHN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000171892031 327167754 /nfs/dbraw/zinc/16/77/54/327167754.db2.gz HLVQKPIZHFMCDU-INIZCTEOSA-N 0 3 372.469 2.243 10 0 FEAEHN CN1C(=O)C[C@H](C(=O)N2CCN3CCC[C@@H]3C2)[C@H]1c1cccc(Cl)c1 ZINC000172217333 327187671 /nfs/dbraw/zinc/18/76/71/327187671.db2.gz VZAWFYFSMXDHKT-SOLBZPMBSA-N 0 3 361.873 2.166 10 0 FEAEHN CN(C)C[C@@H]1CN(Cc2csc(CC(=O)Nc3ccccc3)n2)CCO1 ZINC000173339076 327250594 /nfs/dbraw/zinc/25/05/94/327250594.db2.gz XXXMYXWRXDKXCH-QGZVFWFLSA-N 0 3 374.510 2.087 10 0 FEAEHN CO[C@@H](CNC(=O)NC[C@@H](O)CN1CCCCC1)c1cccc(Cl)c1 ZINC000173436614 327257054 /nfs/dbraw/zinc/25/70/54/327257054.db2.gz JWORWIJKSDBMTI-SJORKVTESA-N 0 3 369.893 2.174 10 0 FEAEHN COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173494591 327261331 /nfs/dbraw/zinc/26/13/31/327261331.db2.gz QCWJMGHOZYHHSI-JKSUJKDBSA-N 0 3 366.531 2.451 10 0 FEAEHN O=C(NCCc1ccn(-c2ccc(F)cc2)n1)N1CCN2CCC[C@H]2C1 ZINC000173511102 327262403 /nfs/dbraw/zinc/26/24/03/327262403.db2.gz QXAHKTCCAJAYTC-SFHVURJKSA-N 0 3 357.433 2.044 10 0 FEAEHN O=C(c1ncoc1-c1ccc2c(c1)OCCO2)N1CCN2CCC[C@@H]2C1 ZINC000173574707 327267903 /nfs/dbraw/zinc/26/79/03/327267903.db2.gz WHHVZHORPDBARH-CQSZACIVSA-N 0 3 355.394 2.033 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(N2CCNC2=O)ccc1Cl ZINC000173744482 327280877 /nfs/dbraw/zinc/28/08/77/327280877.db2.gz OCKOIUHZXGSMIT-TZMCWYRMSA-N 0 3 362.861 2.178 10 0 FEAEHN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000173944181 327296383 /nfs/dbraw/zinc/29/63/83/327296383.db2.gz ZVLMTIPUKPHBIW-OAHLLOKOSA-N 0 3 359.478 2.164 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)C1 ZINC000173956468 327297412 /nfs/dbraw/zinc/29/74/12/327297412.db2.gz UCJOJKZRJKAFDV-GFCCVEGCSA-N 0 3 350.369 2.454 10 0 FEAEHN C[C@H]1CN(C(=O)c2oc3ccccc3c2CN(C)C)C[C@H]1N1CCOCC1 ZINC000173979243 327299303 /nfs/dbraw/zinc/29/93/03/327299303.db2.gz ODSLOTVFYRXSGA-MAUKXSAKSA-N 0 3 371.481 2.287 10 0 FEAEHN COCC[C@H](C)NC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000174544849 327334067 /nfs/dbraw/zinc/33/40/67/327334067.db2.gz JVGMGZNORGWOKS-QFBILLFUSA-N 0 3 363.502 2.156 10 0 FEAEHN CCN1CCC[C@H]1CN(C)CC(=O)Nc1ccnn1Cc1cccs1 ZINC000175332725 327387728 /nfs/dbraw/zinc/38/77/28/327387728.db2.gz KLRPRKXBBGHJHJ-HNNXBMFYSA-N 0 3 361.515 2.348 10 0 FEAEHN CC(C)OCCN1CCC(NC(=O)N2CCC(c3cc[nH]n3)CC2)CC1 ZINC000176617955 327466590 /nfs/dbraw/zinc/46/65/90/327466590.db2.gz KAVFLPIISOGOBU-UHFFFAOYSA-N 0 3 363.506 2.188 10 0 FEAEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)[C@@H]1CCCOC1 ZINC000177466200 327524550 /nfs/dbraw/zinc/52/45/50/327524550.db2.gz LSTWASGBOCNJCX-UXHICEINSA-N 0 3 360.498 2.317 10 0 FEAEHN NC1(C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)CCOCC1 ZINC000261772728 328818681 /nfs/dbraw/zinc/81/86/81/328818681.db2.gz GVCINOTUHDDRJL-AWEZNQCLSA-N 0 3 374.416 2.090 10 0 FEAEHN Cc1nn(-c2ccccc2)c(C)c1Cc1nc([C@H]2CNCCN2C)no1 ZINC000263111922 328916353 /nfs/dbraw/zinc/91/63/53/328916353.db2.gz AHPWPHDPYXHNRN-QGZVFWFLSA-N 0 3 352.442 2.039 10 0 FEAEHN Cc1ccc2nc(CSCc3nc([C@@H]4CNCCN4C)no3)cn2c1 ZINC000263209137 328925222 /nfs/dbraw/zinc/92/52/22/328925222.db2.gz KCGOAFXYAFMSLA-AWEZNQCLSA-N 0 3 358.471 2.035 10 0 FEAEHN COc1ccc(-c2cnc(CCc3nc([C@@H]4CNCCN4C)no3)o2)cc1 ZINC000263218275 328925891 /nfs/dbraw/zinc/92/58/91/328925891.db2.gz LHCHHWCYXVUAJL-HNNXBMFYSA-N 0 3 369.425 2.095 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2ccc(OCc3ccncc3)cc2)n1 ZINC000263276000 328929803 /nfs/dbraw/zinc/92/98/03/328929803.db2.gz SWJQHSOGPXVNDZ-QGZVFWFLSA-N 0 3 351.410 2.287 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C2CCN(C(=O)c3ccccc3)CC2)[C@@H](C)C1 ZINC000155292230 545506597 /nfs/dbraw/zinc/50/65/97/545506597.db2.gz MKLSRHPXSVQQJD-LPHOPBHVSA-N 0 3 357.498 2.384 10 0 FEAEHN CCOc1ccc(OC[C@@H](O)CN2CCC(c3nncn3CC)CC2)cc1 ZINC000155435989 545526234 /nfs/dbraw/zinc/52/62/34/545526234.db2.gz JUAVZGCHFPHIHA-KRWDZBQOSA-N 0 3 374.485 2.316 10 0 FEAEHN C[C@@H](O)CN1CCN(CCc2nc(-c3cccc(Cl)c3)no2)C[C@H]1C ZINC000157940287 545801489 /nfs/dbraw/zinc/80/14/89/545801489.db2.gz KTOPHMHFXDZMID-ZIAGYGMSSA-N 0 3 364.877 2.319 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccccc1OCC(F)F ZINC000158158173 545830147 /nfs/dbraw/zinc/83/01/47/545830147.db2.gz LJSADRVHVACTAE-ZDUSSCGKSA-N 0 3 369.412 2.212 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000158677069 545883765 /nfs/dbraw/zinc/88/37/65/545883765.db2.gz RJNNOXZXOMSVKH-NSHDSACASA-N 0 3 364.243 2.067 10 0 FEAEHN O=C(CCc1cc(F)ccc1F)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000159279639 545938828 /nfs/dbraw/zinc/93/88/28/545938828.db2.gz VFTPAWQQMJHXMJ-IBGZPJMESA-N 0 3 374.431 2.433 10 0 FEAEHN Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000170856522 546179894 /nfs/dbraw/zinc/17/98/94/546179894.db2.gz ILPPMKMJWIEYFX-RBUKOAKNSA-N 0 3 374.529 2.371 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1C(=O)NCCN1CCc2ccccc2C1 ZINC000175774926 546346957 /nfs/dbraw/zinc/34/69/57/546346957.db2.gz FSVSGUOVZWWEFY-HXUWFJFHSA-N 0 3 367.497 2.424 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccccc1Br ZINC000176892225 546501737 /nfs/dbraw/zinc/50/17/37/546501737.db2.gz MCKULCKELCNYFN-LBPRGKRZSA-N 0 3 368.275 2.330 10 0 FEAEHN Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000176890639 546501988 /nfs/dbraw/zinc/50/19/88/546501988.db2.gz AATZWOOPJSFJOI-INIZCTEOSA-N 0 3 353.426 2.416 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C[C@H](NC(C)=O)c1c(F)cccc1F ZINC000176982223 546518596 /nfs/dbraw/zinc/51/85/96/546518596.db2.gz NSZGAMPGNGNDPC-PBHICJAKSA-N 0 3 367.440 2.475 10 0 FEAEHN O=C(NC[C@H]1CCCCN1Cc1ccccc1)N[C@@H]1CCCn2ncnc21 ZINC000177331293 546596470 /nfs/dbraw/zinc/59/64/70/546596470.db2.gz LOYXEOHULZRCPF-QZTJIDSGSA-N 0 3 368.485 2.467 10 0 FEAEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)C1CCOCC1 ZINC000177458909 546622816 /nfs/dbraw/zinc/62/28/16/546622816.db2.gz BVRIWGIVYCTSSV-HXUWFJFHSA-N 0 3 360.498 2.317 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)Nc1ccc(Br)cn1 ZINC000177706332 546671453 /nfs/dbraw/zinc/67/14/53/546671453.db2.gz WCKMLGOIHMQDEF-CYBMUJFWSA-N 0 3 355.280 2.199 10 0 FEAEHN Cc1ccccc1Nc1nc(N)nc(CN2CCN3CCCC[C@@H]3C2)n1 ZINC000177763580 546682342 /nfs/dbraw/zinc/68/23/42/546682342.db2.gz ZEBINKWRIDMSMH-OAHLLOKOSA-N 0 3 353.474 2.176 10 0 FEAEHN Cc1c(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)cccc1C(F)(F)F ZINC000177901725 546706080 /nfs/dbraw/zinc/70/60/80/546706080.db2.gz MNGCFMMKYXIJAN-LBPRGKRZSA-N 0 3 355.360 2.259 10 0 FEAEHN COc1ccc(NC(=O)CN2CCC[C@@H]2Cn2ccnc2C)c(OC)c1 ZINC000178291349 546770272 /nfs/dbraw/zinc/77/02/72/546770272.db2.gz GQXFBGYHJCTOCM-OAHLLOKOSA-N 0 3 358.442 2.312 10 0 FEAEHN CC(C)COC[C@H](O)CN(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000178611618 546819969 /nfs/dbraw/zinc/81/99/69/546819969.db2.gz PDJDZNLISPWXLF-SJORKVTESA-N 0 3 356.532 2.087 10 0 FEAEHN O[C@H](COc1ccccc1Cl)CN1CCC(Nc2cccnn2)CC1 ZINC000178607460 546820108 /nfs/dbraw/zinc/82/01/08/546820108.db2.gz CRRSBXFMNXRHCL-HNNXBMFYSA-N 0 3 362.861 2.446 10 0 FEAEHN COC(=O)c1ccccc1NC(=O)CN1CCC[C@@H]1Cn1ccnc1C ZINC000178751351 546843361 /nfs/dbraw/zinc/84/33/61/546843361.db2.gz KMYXLGPJNDDDPD-OAHLLOKOSA-N 0 3 356.426 2.081 10 0 FEAEHN COc1ccc(NC(=O)NC(=O)CN2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000178753102 546844659 /nfs/dbraw/zinc/84/46/59/546844659.db2.gz OUUIILWJEGAIMP-INIZCTEOSA-N 0 3 371.441 2.013 10 0 FEAEHN CCNC(=O)c1cccc(NC(=O)CN2CCC[C@H]2Cn2ccnc2C)c1 ZINC000178754541 546844855 /nfs/dbraw/zinc/84/48/55/546844855.db2.gz RREWEZXWNZAMAN-SFHVURJKSA-N 0 3 369.469 2.044 10 0 FEAEHN O=C([C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N1CCN2CCC[C@@H]2C1 ZINC000179813891 547016331 /nfs/dbraw/zinc/01/63/31/547016331.db2.gz BGZKIXXDDKDGDJ-GXTWGEPZSA-N 0 3 365.836 2.139 10 0 FEAEHN CC[C@H](CSC)NC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000179952954 547032151 /nfs/dbraw/zinc/03/21/51/547032151.db2.gz VXDRZUJEURPIKA-MRXNPFEDSA-N 0 3 365.547 2.116 10 0 FEAEHN CCCCn1nccc1NC(=O)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000180895497 547204249 /nfs/dbraw/zinc/20/42/49/547204249.db2.gz YQCXCPPOQSSMSK-INIZCTEOSA-N 0 3 371.485 2.258 10 0 FEAEHN CC(C)c1nnc2n1C[C@H](NC(=O)N[C@H](C)CN1CCC[C@@H](C)C1)CC2 ZINC000181512119 547326658 /nfs/dbraw/zinc/32/66/58/547326658.db2.gz WJFYPWLALQZFGV-BZUAXINKSA-N 0 3 362.522 2.136 10 0 FEAEHN O=C(NCCCOCCOCc1ccccc1)N1CCN2CCC[C@@H]2C1 ZINC000182068500 547432441 /nfs/dbraw/zinc/43/24/41/547432441.db2.gz DLELERSGRHIUFD-LJQANCHMSA-N 0 3 361.486 2.100 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000182525262 547508513 /nfs/dbraw/zinc/50/85/13/547508513.db2.gz GHMIYTGETUPAKC-AWEZNQCLSA-N 0 3 353.422 2.268 10 0 FEAEHN CC(=O)N1CCC(NC(=O)CN[C@@H]2c3ccccc3CCC2(C)C)CC1 ZINC000183131629 547607452 /nfs/dbraw/zinc/60/74/52/547607452.db2.gz FDEJRDGHRUJPNM-HXUWFJFHSA-N 0 3 357.498 2.417 10 0 FEAEHN CN1CCC(NC(=O)N2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)CC1 ZINC000183672175 547699356 /nfs/dbraw/zinc/69/93/56/547699356.db2.gz IFCFAKULZWPEFT-CWRNSKLLSA-N 0 3 366.506 2.025 10 0 FEAEHN CCN1CCN(c2cccc(NC(=O)N[C@@H]3CCCn4ncnc43)c2)CC1 ZINC000184902147 547896113 /nfs/dbraw/zinc/89/61/13/547896113.db2.gz GFOIMMSHYYYLGG-QGZVFWFLSA-N 0 3 369.473 2.077 10 0 FEAEHN CCO[C@H]1C[C@H](NC(=O)N(CCN(C)C)C2CCCC2)C12CCOCC2 ZINC000185683519 548019385 /nfs/dbraw/zinc/01/93/85/548019385.db2.gz KTVWGZILUKKVTB-ROUUACIJSA-N 0 3 367.534 2.476 10 0 FEAEHN C[C@@H]1C(=O)NCCCN1C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000189312958 548301049 /nfs/dbraw/zinc/30/10/49/548301049.db2.gz LVJKZWLWBOJNOG-CVEARBPZSA-N 0 3 351.450 2.366 10 0 FEAEHN CCc1cc(C(=O)N2CC[C@@H](CN(C)Cc3scnc3C)C2)cc(=O)[nH]1 ZINC000190550049 548328669 /nfs/dbraw/zinc/32/86/69/548328669.db2.gz WSZXMLSBMJYDIB-AWEZNQCLSA-N 0 3 374.510 2.296 10 0 FEAEHN Cc1cc(C)n([C@H](C)C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)n1 ZINC000190603668 548330014 /nfs/dbraw/zinc/33/00/14/548330014.db2.gz PFFDQMRCUYCOQZ-IEBWSBKVSA-N 0 3 355.486 2.436 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cnn(C2CCCC2)c1C ZINC000194162752 548443369 /nfs/dbraw/zinc/44/33/69/548443369.db2.gz WHCBPXSIADUPRG-NVXWUHKLSA-N 0 3 373.501 2.330 10 0 FEAEHN CC(=O)Nc1nc(CN2CC[C@@H](CN(C)Cc3cccnc3)C2)cs1 ZINC000195272837 548609334 /nfs/dbraw/zinc/60/93/34/548609334.db2.gz RYVCPNJCKBSVJV-INIZCTEOSA-N 0 3 359.499 2.450 10 0 FEAEHN O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCN2CCC[C@H]2C1 ZINC000195325164 548624556 /nfs/dbraw/zinc/62/45/56/548624556.db2.gz ADQILDHZZJEHKE-INIZCTEOSA-N 0 3 354.454 2.351 10 0 FEAEHN O=C(c1cc2c(c(Br)c1)OCO2)N1CCN2CCC[C@H]2C1 ZINC000195337451 548627473 /nfs/dbraw/zinc/62/74/73/548627473.db2.gz PVEBPDNAGMBZSH-NSHDSACASA-N 0 3 353.216 2.098 10 0 FEAEHN CCOc1ccc(OC[C@@H](O)CN2CCC(c3ccnn3C)CC2)cc1 ZINC000195504015 548650494 /nfs/dbraw/zinc/65/04/94/548650494.db2.gz PFMWPZWMQKGMND-KRWDZBQOSA-N 0 3 359.470 2.438 10 0 FEAEHN O=C(CN1CCC(c2ccn[nH]2)CC1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000195507451 548651958 /nfs/dbraw/zinc/65/19/58/548651958.db2.gz PRLUHGAEMJGPPG-IBGZPJMESA-N 0 3 372.444 2.328 10 0 FEAEHN Cc1cccc(OCCCNC(=O)CN2CCC(c3ccn[nH]3)CC2)c1 ZINC000195507410 548652081 /nfs/dbraw/zinc/65/20/81/548652081.db2.gz CLWWBYOICKDFPF-UHFFFAOYSA-N 0 3 356.470 2.483 10 0 FEAEHN O=C(CN1CCC(c2ccn[nH]2)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC000195506174 548652792 /nfs/dbraw/zinc/65/27/92/548652792.db2.gz QLZJSTWZHXKLAL-UHFFFAOYSA-N 0 3 367.453 2.120 10 0 FEAEHN COC(=O)[C@@H]1CCCN(C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000245404461 548908439 /nfs/dbraw/zinc/90/84/39/548908439.db2.gz PHCHEZYBCPTKIL-TZMCWYRMSA-N 0 3 372.259 2.074 10 0 FEAEHN O=C(COc1ccccc1CN1CCN2CCCC[C@H]2C1)NCC1CC1 ZINC000245564220 548947531 /nfs/dbraw/zinc/94/75/31/548947531.db2.gz QIANSXKEOPBBBW-IBGZPJMESA-N 0 3 357.498 2.262 10 0 FEAEHN CC(C)c1ccccc1OC[C@H](O)CN1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246121388 549057497 /nfs/dbraw/zinc/05/74/97/549057497.db2.gz LJVNFAXVWKMBTL-NSHGMRRFSA-N 0 3 362.514 2.202 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N(C)Cc2cn(C)nc2C(F)(F)F)C1 ZINC000246207715 549078576 /nfs/dbraw/zinc/07/85/76/549078576.db2.gz BWMRQZMYEZWZMV-WCQYABFASA-N 0 3 361.412 2.309 10 0 FEAEHN O=C1CCCN1C[C@H](O)CN1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000246402070 549125331 /nfs/dbraw/zinc/12/53/31/549125331.db2.gz IRXOFKUSYGFVQS-TZMCWYRMSA-N 0 3 373.280 2.430 10 0 FEAEHN CCn1ccnc1CS(=O)(=O)C(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000246449555 549135390 /nfs/dbraw/zinc/13/53/90/549135390.db2.gz MPGLUKFHLJRATP-KBUPBQIOSA-N 0 3 355.504 2.147 10 0 FEAEHN COc1cccc([C@@H](C)N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)c1 ZINC000246452303 549136090 /nfs/dbraw/zinc/13/60/90/549136090.db2.gz FLKGTIICIVBFNH-NQIIRXRSSA-N 0 3 361.530 2.483 10 0 FEAEHN CC(C)N(Cc1ccccc1)C(=O)[C@H](C)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246461963 549139515 /nfs/dbraw/zinc/13/95/15/549139515.db2.gz NNGUMDPKOMMZHY-SVFBPWRDSA-N 0 3 373.541 2.465 10 0 FEAEHN COc1ccc2cc(NC(=O)C(=O)N[C@@H]3CN(C(C)C)C[C@H]3C)ccc2n1 ZINC000246598303 549172147 /nfs/dbraw/zinc/17/21/47/549172147.db2.gz ZHDSPIWXYQTVAB-CXAGYDPISA-N 0 3 370.453 2.027 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1 ZINC000246880720 549233871 /nfs/dbraw/zinc/23/38/71/549233871.db2.gz FZFPJIKCKMMVJP-PLMTUMEDSA-N 0 3 355.482 2.376 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)c1cnn(-c2ccccc2)c1 ZINC000246888505 549236795 /nfs/dbraw/zinc/23/67/95/549236795.db2.gz GLRRALOHBVISON-WMZOPIPTSA-N 0 3 352.438 2.140 10 0 FEAEHN CC[C@@H]1CN(CCC(=O)Nc2ccc(Cl)cc2)CCN1C[C@H](C)O ZINC000246926741 549244521 /nfs/dbraw/zinc/24/45/21/549244521.db2.gz APQZQGFRRNQLQE-WMLDXEAASA-N 0 3 353.894 2.446 10 0 FEAEHN C(CN1CCO[C@@H]2CCCC[C@H]21)OCCN1CCO[C@H]2CCCC[C@H]21 ZINC000247152761 549291934 /nfs/dbraw/zinc/29/19/34/549291934.db2.gz UIPWEEZTJSCMBX-WTGUMLROSA-N 0 3 352.519 2.290 10 0 FEAEHN O=C(CN1CCN2CCC[C@H]2C1)N[C@@H](c1nccs1)c1ccccc1 ZINC000247209778 549299359 /nfs/dbraw/zinc/29/93/59/549299359.db2.gz ROYUBRKLPCEQQC-FUHWJXTLSA-N 0 3 356.495 2.129 10 0 FEAEHN CCCCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)C1 ZINC000247290504 549312084 /nfs/dbraw/zinc/31/20/84/549312084.db2.gz KTUPFIKHPFKSLE-ZACQAIPSSA-N 0 3 352.523 2.053 10 0 FEAEHN COC(=O)[C@@H]1CCCN(C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000248462836 549445845 /nfs/dbraw/zinc/44/58/45/549445845.db2.gz QFGFWSXYUFBXTE-CHWSQXEVSA-N 0 3 361.360 2.330 10 0 FEAEHN CCOCCN1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)C[C@H]1C ZINC000248551136 549455988 /nfs/dbraw/zinc/45/59/88/549455988.db2.gz IJMMUBRYOOVZNL-QGZVFWFLSA-N 0 3 353.551 2.314 10 0 FEAEHN Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC[C@@H](n3cncn3)C2)c1 ZINC000248577774 549462191 /nfs/dbraw/zinc/46/21/91/549462191.db2.gz NWJSYIJJSNGNFB-CABCVRRESA-N 0 3 350.850 2.317 10 0 FEAEHN CC[C@@H]1CN(C[C@@H](O)COc2cc(C)ccc2Cl)CCN1C[C@@H](C)O ZINC000248582748 549463458 /nfs/dbraw/zinc/46/34/58/549463458.db2.gz PCXCAKLTSNLKOZ-BRWVUGGUSA-N 0 3 370.921 2.165 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN([C@H]2CCN(C(C)C)C2=O)C1 ZINC000248637793 549473589 /nfs/dbraw/zinc/47/35/89/549473589.db2.gz AKWNITMTWLMKNH-HOTGVXAUSA-N 0 3 350.532 2.215 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCN([C@H](C)c3nccs3)CC2)C1 ZINC000248752601 549495449 /nfs/dbraw/zinc/49/54/49/549495449.db2.gz UFFYMNOVBLMCAW-OAGGEKHMSA-N 0 3 365.547 2.260 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(N2C[C@@H](C)O[C@H](C)C2)ccn1 ZINC000248752975 549495844 /nfs/dbraw/zinc/49/58/44/549495844.db2.gz HDZMSPZCRGFNAC-YWTNHNAXSA-N 0 3 372.513 2.394 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1nnn(Cc2ccc(F)cc2)c1C ZINC000248870852 549517847 /nfs/dbraw/zinc/51/78/47/549517847.db2.gz ORBDWYMVUJFCSA-MSOLQXFVSA-N 0 3 371.460 2.473 10 0 FEAEHN CC(C)N(C)C(=O)[C@H](C)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000249077846 549546814 /nfs/dbraw/zinc/54/68/14/549546814.db2.gz RGKDSIWCPXLGKT-DLBZAZTESA-N 0 3 369.550 2.370 10 0 FEAEHN CCCN1Cc2cccc(NC(=O)C(=O)N3C[C@H]4CCCN4C[C@H]3C)c2C1 ZINC000249169947 549563972 /nfs/dbraw/zinc/56/39/72/549563972.db2.gz LAPXUYRBTYBWPR-NVXWUHKLSA-N 0 3 370.497 2.046 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C)c(OC)c1C ZINC000249196696 549568563 /nfs/dbraw/zinc/56/85/63/549568563.db2.gz QGRAKHVDWWPPAN-CVEARBPZSA-N 0 3 359.470 2.336 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(-c2cnco2)c1 ZINC000249267676 549574766 /nfs/dbraw/zinc/57/47/66/549574766.db2.gz ZQLTWYQDRJFAJB-IRXDYDNUSA-N 0 3 368.437 2.365 10 0 FEAEHN C[C@@H]1OCCC[C@@H]1C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000249421218 549589782 /nfs/dbraw/zinc/58/97/82/549589782.db2.gz DOKSSXFEOAGJIG-IHPCNDPISA-N 0 3 359.514 2.297 10 0 FEAEHN COc1ccccc1[C@@H](CNC(=O)NC[C@H]1CCCN1C)N1CCCC1 ZINC000249741169 549622538 /nfs/dbraw/zinc/62/25/38/549622538.db2.gz IPEIKQCZTGKMLU-SJLPKXTDSA-N 0 3 360.502 2.226 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)[C@@H](O)c2ccccc2)C1 ZINC000251850379 549655399 /nfs/dbraw/zinc/65/53/99/549655399.db2.gz PYHDNTILOSWLMO-YJBOKZPZSA-N 0 3 359.495 2.465 10 0 FEAEHN COc1ccc([C@H](CNC(=O)N2CCN3CCC[C@H]3C2)N2CCCC2)cc1 ZINC000252442351 549665643 /nfs/dbraw/zinc/66/56/43/549665643.db2.gz VAPFZODQEBEKDY-ICSRJNTNSA-N 0 3 372.513 2.322 10 0 FEAEHN CCNC(=O)N1CCc2ccc(N[C@@H]3CCC[C@H]3[C@H]3COCCN3)cc21 ZINC000261950112 549772848 /nfs/dbraw/zinc/77/28/48/549772848.db2.gz OFDODQTUHQYBLI-KZNAEPCWSA-N 0 3 358.486 2.348 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(CCc2ccc(Br)cc2)n1 ZINC000263267127 549890995 /nfs/dbraw/zinc/89/09/95/549890995.db2.gz RRFCICWVUDQYSP-CYBMUJFWSA-N 0 3 351.248 2.193 10 0 FEAEHN COc1cc(/C=C/c2nc([C@@H]3CNCCN3C)no2)cc(Cl)c1OC ZINC000263292635 549892598 /nfs/dbraw/zinc/89/25/98/549892598.db2.gz VWKMAVOSFALKQL-IHVVCDCBSA-N 0 3 364.833 2.487 10 0 FEAEHN C[C@H](CCN[C@@H](C)c1cccc(S(N)(=O)=O)c1)NC(=O)OC(C)(C)C ZINC000271670495 550394349 /nfs/dbraw/zinc/39/43/49/550394349.db2.gz IIHAIWNYZMPNCQ-OLZOCXBDSA-N 0 3 371.503 2.288 10 0 FEAEHN Cc1nc2c(c(N3CCN(c4ccc(CN(C)C)cn4)CC3)n1)CCCC2 ZINC000302030864 553699307 /nfs/dbraw/zinc/69/93/07/553699307.db2.gz BXROHUAXVLAJLF-UHFFFAOYSA-N 0 3 366.513 2.447 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCN(c3ncnc4sccc43)C2)C1 ZINC000377833434 558430638 /nfs/dbraw/zinc/43/06/38/558430638.db2.gz ZAMWWHURSFNHEM-ZIAGYGMSSA-N 0 3 359.499 2.070 10 0 FEAEHN COCCN1CCN(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000109132637 670837568 /nfs/dbraw/zinc/83/75/68/670837568.db2.gz SMZIMRYEPXFWEL-SJORKVTESA-N 0 3 355.523 2.286 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@H](C)C(=O)Nc1cccnc1Cl)CC2 ZINC000112551904 670873456 /nfs/dbraw/zinc/87/34/56/670873456.db2.gz KKTDORBFLBOKHT-VXGBXAGGSA-N 0 3 362.865 2.382 10 0 FEAEHN CC[C@H]1CN(Cn2nc3n(c2=S)CCCCC3)CCN1CCOC ZINC000117325182 670914714 /nfs/dbraw/zinc/91/47/14/670914714.db2.gz FCKAMNDEKLQWFC-HNNXBMFYSA-N 0 3 353.536 2.141 10 0 FEAEHN CC(C)N1C[C@H](NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)[C@@H](C)C1 ZINC000125757636 672015997 /nfs/dbraw/zinc/01/59/97/672015997.db2.gz RHTPYKGNJFBWKL-YOEHRIQHSA-N 0 3 351.516 2.076 10 0 FEAEHN CN(C)C[C@H]1CN(Cn2nc(-c3ccc(Cl)cc3)[nH]c2=S)CCO1 ZINC000152976609 672191434 /nfs/dbraw/zinc/19/14/34/672191434.db2.gz SOOUDUFVDWJBMC-AWEZNQCLSA-N 0 3 367.906 2.481 10 0 FEAEHN CCN(C1CCN(CCN(C)Cc2ccc(F)cc2)CC1)S(C)(=O)=O ZINC000173214106 672348856 /nfs/dbraw/zinc/34/88/56/672348856.db2.gz UABMDUWAWHMCDL-UHFFFAOYSA-N 0 3 371.522 2.003 10 0 FEAEHN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H]1CCCN1C ZINC000194731747 672766833 /nfs/dbraw/zinc/76/68/33/672766833.db2.gz GSSRBIRHNANHTK-CVEARBPZSA-N 0 3 351.878 2.305 10 0 FEAEHN COCCN1CCN(C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000195168565 672777625 /nfs/dbraw/zinc/77/76/25/672777625.db2.gz RWGMHHNBZGLAON-LPHOPBHVSA-N 0 3 355.523 2.286 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000236917104 672804619 /nfs/dbraw/zinc/80/46/19/672804619.db2.gz DVTOHBJEAKYPOT-XJKSGUPXSA-N 0 3 353.488 2.173 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000237048058 672806099 /nfs/dbraw/zinc/80/60/99/672806099.db2.gz WMZBYFQZVPTYMI-XHDPSFHLSA-N 0 3 355.841 2.137 10 0 FEAEHN CCOCCN1CCN(C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000246494489 672837801 /nfs/dbraw/zinc/83/78/01/672837801.db2.gz APWFVRQREPZZLK-DLBZAZTESA-N 0 3 355.523 2.286 10 0 FEAEHN C[C@H](O)CN1CCN(C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000248660074 672860059 /nfs/dbraw/zinc/86/00/59/672860059.db2.gz DBGBDLLCMHHTOA-JTDSTZFVSA-N 0 3 355.523 2.020 10 0 FEAEHN Cn1cnnc1NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000248661140 672860513 /nfs/dbraw/zinc/86/05/13/672860513.db2.gz WPFPIAKHISTBIX-CHWSQXEVSA-N 0 3 353.348 2.064 10 0 FEAEHN CC(C)[C@@H](CO)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000249159894 672867771 /nfs/dbraw/zinc/86/77/71/672867771.db2.gz YHKZLTIYBIWBJC-BZUAXINKSA-N 0 3 358.404 2.430 10 0 FEAEHN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNCc2cc(F)c(F)cc2F)C1 ZINC000705675460 673062291 /nfs/dbraw/zinc/06/22/91/673062291.db2.gz QRQMSTQPRXNAOD-NHYWBVRUSA-N 0 3 360.376 2.421 10 0 FEAEHN CC[C@@H](C)C(=O)NCc1nnc2n1CCN(CCCc1ccccc1)CC2 ZINC000012039617 539541594 /nfs/dbraw/zinc/54/15/94/539541594.db2.gz DGXMQANLMUARGJ-QGZVFWFLSA-N 0 3 369.513 2.431 10 0 FEAEHN CN(C)C[C@H](NC(=O)C1CCN(c2cnccn2)CC1)c1ccccc1 ZINC000028881435 539838948 /nfs/dbraw/zinc/83/89/48/539838948.db2.gz ASJQEUJFWSLTMY-SFHVURJKSA-N 0 3 353.470 2.112 10 0 FEAEHN CC[C@H](C)NC(=O)c1cccc(CNC(=O)N[C@H]2CCCN(CC)C2)c1 ZINC000052525372 540471318 /nfs/dbraw/zinc/47/13/18/540471318.db2.gz JFMPCWKBTRFGAE-YJBOKZPZSA-N 0 3 360.502 2.498 10 0 FEAEHN CC(C)COc1ccccc1CNC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000052560697 540473920 /nfs/dbraw/zinc/47/39/20/540473920.db2.gz RTNIZPSWVBNHID-GOSISDBHSA-N 0 3 363.502 2.367 10 0 FEAEHN COc1ccccc1C(=O)N[C@@H](C(=O)NC[C@@H](C)N(C)C1CC1)C(C)C ZINC000057716376 540810654 /nfs/dbraw/zinc/81/06/54/540810654.db2.gz FXRZTCKHDSXBOJ-RDTXWAMCSA-N 0 3 361.486 2.049 10 0 FEAEHN COc1ccc(Cl)cc1NC(=O)CCN1CCC[C@@H]1C(=O)N(C)C ZINC000058491450 540845098 /nfs/dbraw/zinc/84/50/98/540845098.db2.gz ZQGCOYMIVFBLKT-CQSZACIVSA-N 0 3 353.850 2.230 10 0 FEAEHN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(OCCN(C)C)cc2)o1 ZINC000070757327 541741241 /nfs/dbraw/zinc/74/12/41/541741241.db2.gz POKFLXBZYUIDIJ-AWEZNQCLSA-N 0 3 359.426 2.344 10 0 FEAEHN O[C@@H](CNC[C@H](O)[C@@H]1CCc2ccccc2O1)[C@@H]1CCc2ccccc2O1 ZINC000006117270 204239023 /nfs/dbraw/zinc/23/90/23/204239023.db2.gz QSCYKSXNGYFRFZ-GPHNJDIKSA-N 0 3 369.461 2.085 10 0 in-vitro FEAEHN CN1CCC(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)CC1 ZINC000072727751 541859231 /nfs/dbraw/zinc/85/92/31/541859231.db2.gz GYOIDWVMRLLKCA-QGZVFWFLSA-N 0 3 371.506 2.300 10 0 FEAEHN COc1ccc(-c2nc(N)nc3c2CN(C(=O)[C@H](C)N2CCCC2)C3)cc1 ZINC000067785360 205391388 /nfs/dbraw/zinc/39/13/88/205391388.db2.gz XCHRBJARTLRKDK-ZDUSSCGKSA-N 0 3 367.453 2.061 10 0 FEAEHN C[C@H](CNC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)CN1CCN(C)CC1 ZINC000073585018 541969293 /nfs/dbraw/zinc/96/92/93/541969293.db2.gz VFFRMLCNVSEHMK-ILXRZTDVSA-N 0 3 364.456 2.290 10 0 FEAEHN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCc1cccc(CN(C)C)c1 ZINC000073713028 541990461 /nfs/dbraw/zinc/99/04/61/541990461.db2.gz JAJSIHWGWUJBOX-SFHVURJKSA-N 0 3 360.502 2.291 10 0 FEAEHN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000073793472 542000430 /nfs/dbraw/zinc/00/04/30/542000430.db2.gz MKNNSAKQKQTXEK-MOPGFXCFSA-N 0 3 374.529 2.202 10 0 FEAEHN C[C@@H](CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)N1CCOCC1 ZINC000074850628 542129031 /nfs/dbraw/zinc/12/90/31/542129031.db2.gz MXLYQECHYMEOFC-AZUAARDMSA-N 0 3 374.529 2.013 10 0 FEAEHN O=S1(=O)CCCN1CCN[C@@H]1CCc2c1cccc2Br ZINC000091372829 542805632 /nfs/dbraw/zinc/80/56/32/542805632.db2.gz AOVBZEDZFMQSNJ-CQSZACIVSA-N 0 3 359.289 2.062 10 0 FEAEHN CN(C)C[C@H](NC(=O)c1ccc(-n2cnnn2)cc1Cl)c1ccccc1 ZINC000103739205 543116433 /nfs/dbraw/zinc/11/64/33/543116433.db2.gz WQMCCNHXXRUFKX-KRWDZBQOSA-N 0 3 370.844 2.348 10 0 FEAEHN CN(C)C(=O)c1cccc(CN(C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000106075149 543189697 /nfs/dbraw/zinc/18/96/97/543189697.db2.gz RXJOLEJRXXCQBF-SFHVURJKSA-N 0 3 353.470 2.279 10 0 FEAEHN COCCN1CCN(CCC(=O)Nc2cc(Cl)ccc2OC)C[C@@H]1C ZINC000106108300 543199132 /nfs/dbraw/zinc/19/91/32/543199132.db2.gz VVDVYDGYZRGGMG-AWEZNQCLSA-N 0 3 369.893 2.330 10 0 FEAEHN C[C@@H](C(=O)Nc1cccc(F)c1)N(C)C1CCN(CCn2cccn2)CC1 ZINC000106129662 543205954 /nfs/dbraw/zinc/20/59/54/543205954.db2.gz MXAXWDRPNPYZJV-INIZCTEOSA-N 0 3 373.476 2.446 10 0 FEAEHN CCN1CCCC[C@H]1C(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000109650681 543331170 /nfs/dbraw/zinc/33/11/70/543331170.db2.gz LHSCVXGEXPURLM-KRWDZBQOSA-N 0 3 350.532 2.360 10 0 FEAEHN CCCn1cc(CN2CCCN(C(=O)[C@H]3CCCCN3CC)CC2)cn1 ZINC000109664648 543333098 /nfs/dbraw/zinc/33/30/98/543333098.db2.gz BPBJMXOQBLHNHO-LJQANCHMSA-N 0 3 361.534 2.202 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112441395 543447015 /nfs/dbraw/zinc/44/70/15/543447015.db2.gz QLIJQTRMJFBAOY-GDBMZVCRSA-N 0 3 364.465 2.207 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@H](C)C(=O)NCCc1cccs1)CC2 ZINC000112551604 543452101 /nfs/dbraw/zinc/45/21/01/543452101.db2.gz PRBRFVYRMFNZQR-KGLIPLIRSA-N 0 3 361.515 2.115 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NCC2(c3ccc(F)cc3Cl)CC2)CCO1 ZINC000156410598 545625420 /nfs/dbraw/zinc/62/54/20/545625420.db2.gz PYSRSTHNUPKMCP-AWEZNQCLSA-N 0 3 369.868 2.483 10 0 FEAEHN C[C@@H](NC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1)c1cccnc1 ZINC000114583924 543524776 /nfs/dbraw/zinc/52/47/76/543524776.db2.gz WFFBAHSDRKTASV-MRXNPFEDSA-N 0 3 368.485 2.131 10 0 FEAEHN COC(=O)C[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccccc1 ZINC000118640564 543654250 /nfs/dbraw/zinc/65/42/50/543654250.db2.gz MJULMRHZZSCORE-GOSISDBHSA-N 0 3 374.481 2.442 10 0 FEAEHN CN(C)C[C@H](NC(=O)Nc1ccc2c(c1)OCC(=O)N2)c1ccccc1 ZINC000126640061 543948003 /nfs/dbraw/zinc/94/80/03/543948003.db2.gz HBLMCXIIRRKZMG-INIZCTEOSA-N 0 3 354.410 2.442 10 0 FEAEHN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000128890432 544078727 /nfs/dbraw/zinc/07/87/27/544078727.db2.gz ZSSVOXVLZWHSBE-YLJYHZDGSA-N 0 3 372.513 2.308 10 0 FEAEHN O=C(NCC1CCN(C[C@H](O)c2ccccc2)CC1)C1(O)CCCCC1 ZINC000128998583 544085556 /nfs/dbraw/zinc/08/55/56/544085556.db2.gz YZUFZVAAIIZGSK-IBGZPJMESA-N 0 3 360.498 2.243 10 0 FEAEHN COc1ccc(Br)c(NC(=O)C(C)(C)N2CCNCC2)c1 ZINC000129778644 544126783 /nfs/dbraw/zinc/12/67/83/544126783.db2.gz RFRGXVISNSEPAM-UHFFFAOYSA-N 0 3 356.264 2.080 10 0 FEAEHN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CC[C@H](N(C)C)C1)CC2 ZINC000130456617 544151642 /nfs/dbraw/zinc/15/16/42/544151642.db2.gz OGFPMCRGZNNFBR-NEPJUHHUSA-N 0 3 356.392 2.071 10 0 FEAEHN Cc1ccc([C@H](CNC(=O)NC[C@H](C)N2CCOCC2)N2CCCC2)cc1 ZINC000131091400 544176700 /nfs/dbraw/zinc/17/67/00/544176700.db2.gz XPAKBQOSRDZXDG-ICSRJNTNSA-N 0 3 374.529 2.152 10 0 FEAEHN Cc1ccc([C@H](CNC(=O)NC[C@@H](C)N2CCOCC2)N2CCCC2)cc1 ZINC000131091028 544176764 /nfs/dbraw/zinc/17/67/64/544176764.db2.gz XPAKBQOSRDZXDG-QUCCMNQESA-N 0 3 374.529 2.152 10 0 FEAEHN COc1ccc(Cl)c(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000150790392 544471410 /nfs/dbraw/zinc/47/14/10/544471410.db2.gz GWWRBGWTMCHBDT-NHYWBVRUSA-N 0 3 353.850 2.132 10 0 FEAEHN COc1ccccc1N1CC[C@H](N[C@H]2CCc3nc(C(C)C)nn3C2)C1=O ZINC000151080795 544503229 /nfs/dbraw/zinc/50/32/29/544503229.db2.gz HBRGVKKABJGNJS-GJZGRUSLSA-N 0 3 369.469 2.120 10 0 FEAEHN CCN1CCC[C@H](NC(=O)CNC(=O)c2ccccc2C(F)(F)F)C1 ZINC000152296242 544635526 /nfs/dbraw/zinc/63/55/26/544635526.db2.gz GPERVIWCTQKGOU-LBPRGKRZSA-N 0 3 357.376 2.036 10 0 FEAEHN CCC[C@@H](C(=O)N[C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1)N(C)C ZINC000153561630 544791339 /nfs/dbraw/zinc/79/13/39/544791339.db2.gz ZBAFSCKPMNLMEU-APWZRJJASA-N 0 3 363.502 2.125 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000247532961 549351541 /nfs/dbraw/zinc/35/15/41/549351541.db2.gz XRMPDLMEEFKRMX-QLFBSQMISA-N 0 3 361.873 2.388 10 0 FEAEHN CN(C[C@@H](O)COC(C)(C)C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000155167565 544997421 /nfs/dbraw/zinc/99/74/21/544997421.db2.gz OJSHBVMWVWLWGO-CVEARBPZSA-N 0 3 356.532 2.229 10 0 FEAEHN CN(C)C[C@H]1CN(CC(=O)N(Cc2ccco2)c2ccccc2)CCO1 ZINC000155264411 545006887 /nfs/dbraw/zinc/00/68/87/545006887.db2.gz UOGFOBWPHGEUCZ-IBGZPJMESA-N 0 3 357.454 2.075 10 0 FEAEHN C[C@@H](CNC(=O)NCCN1CCc2ccccc2C1=O)N1CCC(C)CC1 ZINC000188293484 328078546 /nfs/dbraw/zinc/07/85/46/328078546.db2.gz UAGRSLQANHUHSL-KRWDZBQOSA-N 0 3 372.513 2.105 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)CCO1 ZINC000189039249 328125019 /nfs/dbraw/zinc/12/50/19/328125019.db2.gz LMGFVAIYWYSEGC-HUUCEWRRSA-N 0 3 359.392 2.305 10 0 FEAEHN C[C@@H](O)CN1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C[C@H]1C ZINC000189893407 328174367 /nfs/dbraw/zinc/17/43/67/328174367.db2.gz DCPKDGDNDRYPKC-GHMZBOCLSA-N 0 3 368.890 2.319 10 0 FEAEHN CC(C)(C)c1cc(NC(=O)N2CCN3CCC[C@@H]3C2)n(-c2ncccn2)n1 ZINC000190117634 328189183 /nfs/dbraw/zinc/18/91/83/328189183.db2.gz GDWYEBDFJQJOFB-CQSZACIVSA-N 0 3 369.473 2.272 10 0 FEAEHN O[C@H](CN1CCN(CC2CCC3(CC2)OCCO3)CC1)c1ccccc1 ZINC000190218694 328195053 /nfs/dbraw/zinc/19/50/53/328195053.db2.gz WFPWGHFNFZNHTC-HXUWFJFHSA-N 0 3 360.498 2.271 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc2ncccc2c1 ZINC000190338903 328201213 /nfs/dbraw/zinc/20/12/13/328201213.db2.gz VTJPJKZGJXMLLB-DLBZAZTESA-N 0 3 352.438 2.259 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(OCCF)c1 ZINC000190359429 328202862 /nfs/dbraw/zinc/20/28/62/328202862.db2.gz LQVNBFFKRKWKHO-HZPDHXFCSA-N 0 3 363.433 2.059 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(c2ncc(C(N)=O)cc2Cl)C1 ZINC000190448917 328208216 /nfs/dbraw/zinc/20/82/16/328208216.db2.gz DNIASPLJONXADQ-CQSZACIVSA-N 0 3 359.861 2.187 10 0 FEAEHN CCCc1cc(N2CC[C@H](CN(C)Cc3cccnc3)C2)n2ncnc2n1 ZINC000190448291 328208305 /nfs/dbraw/zinc/20/83/05/328208305.db2.gz GACGMFJQTDCTPS-QGZVFWFLSA-N 0 3 365.485 2.430 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000190516399 328213159 /nfs/dbraw/zinc/21/31/59/328213159.db2.gz XTRKUIQRXHMGDU-KRWDZBQOSA-N 0 3 364.559 2.464 10 0 FEAEHN CCNC(=O)CCCC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000190569607 328216850 /nfs/dbraw/zinc/21/68/50/328216850.db2.gz XLQOQDMCUIQHIW-HNNXBMFYSA-N 0 3 366.531 2.038 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)COc2ccccc2O)C1 ZINC000190599626 328218869 /nfs/dbraw/zinc/21/88/69/328218869.db2.gz JTJGSBXXABYNPT-KRWDZBQOSA-N 0 3 355.438 2.147 10 0 FEAEHN CCOc1ncccc1C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190614114 328219680 /nfs/dbraw/zinc/21/96/80/328219680.db2.gz URZFOGYNIZAMCL-KRWDZBQOSA-N 0 3 354.454 2.469 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NCCCC(C)(C)CO)C1 ZINC000190718339 328227241 /nfs/dbraw/zinc/22/72/41/328227241.db2.gz HVIKNUWGMRQSHE-GOSISDBHSA-N 0 3 362.518 2.344 10 0 FEAEHN C[C@H](O)CC(C)(C)CNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190718907 328227323 /nfs/dbraw/zinc/22/73/23/328227323.db2.gz SZEYULRGYAZNFS-FUHWJXTLSA-N 0 3 362.518 2.342 10 0 FEAEHN COCCC1(CNC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)CC1 ZINC000190728853 328228236 /nfs/dbraw/zinc/22/82/36/328228236.db2.gz NYSYLVUGIGANTR-SFHVURJKSA-N 0 3 360.502 2.362 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)NCCN2CCc3c(Cl)cccc3C2)C1 ZINC000190899428 328239178 /nfs/dbraw/zinc/23/91/78/328239178.db2.gz IQLIYGFNAKTFAR-OAHLLOKOSA-N 0 3 350.894 2.044 10 0 FEAEHN COCCN(C)c1ccc(CN2CC[C@H](CNc3ccccn3)C2)cn1 ZINC000191304793 328259008 /nfs/dbraw/zinc/25/90/08/328259008.db2.gz OXYMFKUXHPYNTI-GOSISDBHSA-N 0 3 355.486 2.493 10 0 FEAEHN Cc1csc([C@H]2CN(CCCN3CCN(C(C)C)CC3)CCO2)n1 ZINC000191468156 328267182 /nfs/dbraw/zinc/26/71/82/328267182.db2.gz YKFQSYOBBBCAPL-QGZVFWFLSA-N 0 3 352.548 2.241 10 0 FEAEHN CC(C)c1cc(C(=O)N2CCC(N(C)CC(=O)OC(C)(C)C)CC2)n[nH]1 ZINC000191904545 328287939 /nfs/dbraw/zinc/28/79/39/328287939.db2.gz VNNVJBXKYPUTBH-UHFFFAOYSA-N 0 3 364.490 2.411 10 0 FEAEHN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000192370114 328316029 /nfs/dbraw/zinc/31/60/29/328316029.db2.gz XFROJORQFYTNFV-DLBZAZTESA-N 0 3 373.457 2.111 10 0 FEAEHN CCOC(=O)c1oc2c(c1C)[C@@H](NC[C@@H](C)N1CCOCC1)CCC2 ZINC000192634838 328329899 /nfs/dbraw/zinc/32/98/99/328329899.db2.gz MQJJKXLMYDEMSE-HIFRSBDPSA-N 0 3 350.459 2.452 10 0 FEAEHN O=S(=O)(N[C@H]1CNCC[C@@H]1c1ccc(F)c(F)c1)c1cccs1 ZINC000193441888 328375699 /nfs/dbraw/zinc/37/56/99/328375699.db2.gz RWFYTQPPUKEARJ-RISCZKNCSA-N 0 3 358.435 2.450 10 0 FEAEHN CN(C)C[C@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1 ZINC000007817631 324359120 /nfs/dbraw/zinc/35/91/20/324359120.db2.gz ORHMZKXTXPMAKP-SFHVURJKSA-N 0 3 360.479 2.264 10 0 FEAEHN CCn1c2ccccc2n(CC(=O)N[C@H](CN(C)C)c2ccccc2)c1=O ZINC000027150650 324430801 /nfs/dbraw/zinc/43/08/01/324430801.db2.gz QRUFKUUJXAZAOP-QGZVFWFLSA-N 0 3 366.465 2.242 10 0 FEAEHN CCN(Cc1ccccc1)C(=O)C(C)S(=O)(=O)Cc1nccn1CC ZINC000083066633 325212702 /nfs/dbraw/zinc/21/27/02/325212702.db2.gz PRCSOBHDERCLDV-OAHLLOKOSA-N 0 3 363.483 2.255 10 0 FEAEHN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000088756091 325299921 /nfs/dbraw/zinc/29/99/21/325299921.db2.gz BXXSYKPPAZGBEV-HNNXBMFYSA-N 0 3 362.522 2.439 10 0 FEAEHN O[C@@H](COCc1ccccc1)CN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091631272 325389381 /nfs/dbraw/zinc/38/93/81/325389381.db2.gz WYQKJPWRPZAZGT-PKOBYXMFSA-N 0 3 356.470 2.370 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)NCC(=O)N1CCCc2ccccc21 ZINC000098119898 325467749 /nfs/dbraw/zinc/46/77/49/325467749.db2.gz CZTIMAITVSCYKZ-KRWDZBQOSA-N 0 3 360.502 2.241 10 0 FEAEHN Cc1ccccc1[C@H](C)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103295912 325512643 /nfs/dbraw/zinc/51/26/43/325512643.db2.gz YMAJWTCUUYGKJW-KRWDZBQOSA-N 0 3 358.486 2.006 10 0 FEAEHN COc1ccccc1CNC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000109352789 325666090 /nfs/dbraw/zinc/66/60/90/325666090.db2.gz UVJCMVRXZIKSPK-UHFFFAOYSA-N 0 3 371.485 2.198 10 0 FEAEHN COc1cccc([C@@H](CNc2cc(N3CCC[C@@H]3CO)ncn2)N(C)C)c1 ZINC000110113977 325683571 /nfs/dbraw/zinc/68/35/71/325683571.db2.gz ZGUDMXMEPKJKSP-SJLPKXTDSA-N 0 3 371.485 2.161 10 0 FEAEHN CCc1nc(CC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)cs1 ZINC000114414267 325891204 /nfs/dbraw/zinc/89/12/04/325891204.db2.gz KPPJYHWSSVIDDU-UHFFFAOYSA-N 0 3 373.526 2.053 10 0 FEAEHN COc1cccc(CC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)c1 ZINC000114415654 325891348 /nfs/dbraw/zinc/89/13/48/325891348.db2.gz GRGQITYETAEYPZ-UHFFFAOYSA-N 0 3 368.481 2.043 10 0 FEAEHN COc1ccc(OC)c(C(=O)N(C)C2CCN(CCn3cccn3)CC2)c1 ZINC000114689768 325913261 /nfs/dbraw/zinc/91/32/61/325913261.db2.gz RMBITTBGYALPFX-UHFFFAOYSA-N 0 3 372.469 2.137 10 0 FEAEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116535067 326022019 /nfs/dbraw/zinc/02/20/19/326022019.db2.gz DPRAQWHECXMTOI-HKUYNNGSSA-N 0 3 355.486 2.092 10 0 FEAEHN Cc1cccc(-c2nc(CC(=O)N3CCO[C@H](CN(C)C)C3)cs2)c1 ZINC000116784349 326035178 /nfs/dbraw/zinc/03/51/78/326035178.db2.gz NKAUSJKXPXLUCX-QGZVFWFLSA-N 0 3 359.495 2.450 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)CCc2ccccc2OC(F)(F)F)CCO1 ZINC000116790833 326035942 /nfs/dbraw/zinc/03/59/42/326035942.db2.gz MMPACWUDKZZMNB-CQSZACIVSA-N 0 3 360.376 2.307 10 0 FEAEHN CC(C)CCOc1ccc(S(=O)(=O)N2CCO[C@@H](CN(C)C)C2)cc1 ZINC000116900234 326041424 /nfs/dbraw/zinc/04/14/24/326041424.db2.gz HBYUJUIJMXJPBH-KRWDZBQOSA-N 0 3 370.515 2.063 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)N[C@H]2CCSc3c(F)cccc32)CCO1 ZINC000117033448 326048234 /nfs/dbraw/zinc/04/82/34/326048234.db2.gz MQDGDDHCRZYJBH-WFASDCNBSA-N 0 3 353.463 2.335 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NCc2ccc(F)cc2C(F)(F)F)CCO1 ZINC000117029768 326048617 /nfs/dbraw/zinc/04/86/17/326048617.db2.gz CAKRQEJVMMFWCJ-ZDUSSCGKSA-N 0 3 363.355 2.317 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)C1 ZINC000117056755 326049542 /nfs/dbraw/zinc/04/95/42/326049542.db2.gz HNRUUJCOXGWMAP-KBPBESRZSA-N 0 3 368.428 2.212 10 0 FEAEHN Cc1ccc(N2CC[C@@H](N[C@H]3CCc4nc(C(C)C)nn4C3)C2=O)cc1 ZINC000119230217 326140133 /nfs/dbraw/zinc/14/01/33/326140133.db2.gz NJTCEHMUVBAZPE-DOTOQJQBSA-N 0 3 353.470 2.420 10 0 FEAEHN C[C@@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)c1cccc(F)c1 ZINC000119884200 326208970 /nfs/dbraw/zinc/20/89/70/326208970.db2.gz AQABNSGEWDFHCH-QRWLVFNGSA-N 0 3 356.441 2.465 10 0 FEAEHN COc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000120828943 326291704 /nfs/dbraw/zinc/29/17/04/326291704.db2.gz FIJVRTSEQVQHHG-BBRMVZONSA-N 0 3 362.474 2.247 10 0 FEAEHN CCOc1cccc(CN2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)c1 ZINC000121022948 326306959 /nfs/dbraw/zinc/30/69/59/326306959.db2.gz VEOQZXHKCRGYSP-OAQYLSRUSA-N 0 3 361.530 2.312 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000121842547 326371237 /nfs/dbraw/zinc/37/12/37/326371237.db2.gz ODJBBFIQUCBHFT-ZDUSSCGKSA-N 0 3 357.401 2.319 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)C1 ZINC000124120837 326448031 /nfs/dbraw/zinc/44/80/31/326448031.db2.gz UOYSWRPUXXWLAN-CQSZACIVSA-N 0 3 364.877 2.041 10 0 FEAEHN Cn1ccnc1-c1cccc(NC(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000150913096 326670925 /nfs/dbraw/zinc/67/09/25/326670925.db2.gz HZZHVFJGAPEULV-QGZVFWFLSA-N 0 3 357.458 2.055 10 0 FEAEHN Cc1ccccc1OC[C@H](O)CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000153765711 326742133 /nfs/dbraw/zinc/74/21/33/326742133.db2.gz NPHSAIHSFAOSRI-DOTOQJQBSA-N 0 3 363.479 2.489 10 0 FEAEHN CN(C)C[C@@H]1CN(CC(=O)N(Cc2ccccc2)c2ccccc2)CCO1 ZINC000155320966 326784571 /nfs/dbraw/zinc/78/45/71/326784571.db2.gz MUXBZCPBRNLJRI-OAQYLSRUSA-N 0 3 367.493 2.482 10 0 FEAEHN CCC[C@H](C(=O)N1CCC(C2N=NC(=S)N2C2CC2)CC1)N(C)C ZINC000155592088 326795033 /nfs/dbraw/zinc/79/50/33/326795033.db2.gz RQQFNGVDOHGSLP-CQSZACIVSA-N 0 3 351.520 2.338 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)COc2cccc(NC(=O)c3ccco3)c2)C1 ZINC000170866924 327103954 /nfs/dbraw/zinc/10/39/54/327103954.db2.gz ONLSLZLBQYRBEU-OAHLLOKOSA-N 0 3 357.410 2.073 10 0 FEAEHN Cc1cccc(C(=O)N2CC[C@@H](N(C)C)C2)c1I ZINC000170866225 327103976 /nfs/dbraw/zinc/10/39/76/327103976.db2.gz ICFDRUUJBJQZGY-LLVKDONJSA-N 0 3 358.223 2.376 10 0 FEAEHN COC(=O)c1oc(CN(C)C2CCN(CCn3cccn3)CC2)cc1C ZINC000170942249 327108961 /nfs/dbraw/zinc/10/89/61/327108961.db2.gz ACOGNNCNTSYWDW-UHFFFAOYSA-N 0 3 360.458 2.168 10 0 FEAEHN C[C@@H](NC(=O)N(C)C1CCN(CCc2ccccn2)CC1)[C@H]1CCCO1 ZINC000171042524 327114090 /nfs/dbraw/zinc/11/40/90/327114090.db2.gz ZQGOYNSRQXAKNM-VQIMIIECSA-N 0 3 360.502 2.297 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2cccc(I)c2)C1 ZINC000171070085 327115571 /nfs/dbraw/zinc/11/55/71/327115571.db2.gz YFFWCMWZBRJRQC-GFCCVEGCSA-N 0 3 359.211 2.459 10 0 FEAEHN CCOCCCNC(=O)c1cccc(NC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000171078302 327115930 /nfs/dbraw/zinc/11/59/30/327115930.db2.gz BJNSPMGBRDCCJB-QGZVFWFLSA-N 0 3 362.474 2.011 10 0 FEAEHN COc1ccc(CCNC(=O)N2CCN3CCC[C@@H]3C2)cc1OC(F)F ZINC000171906423 327169258 /nfs/dbraw/zinc/16/92/58/327169258.db2.gz FELTVMLUSZLUGY-CQSZACIVSA-N 0 3 369.412 2.329 10 0 FEAEHN COc1ccc2cc(CNC(=O)N3CCO[C@H](CN(C)C)C3)ccc2c1 ZINC000172046730 327177777 /nfs/dbraw/zinc/17/77/77/327177777.db2.gz DFVVLOWZDROQTK-LJQANCHMSA-N 0 3 357.454 2.320 10 0 FEAEHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000172046912 327177826 /nfs/dbraw/zinc/17/78/26/327177826.db2.gz FKQVRMLVEDDFFO-KRWDZBQOSA-N 0 3 357.458 2.283 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)CCc3cccs3)CC2)nc1 ZINC000172223741 327188143 /nfs/dbraw/zinc/18/81/43/327188143.db2.gz QQKSRBBKHLWBLN-UHFFFAOYSA-N 0 3 358.511 2.486 10 0 FEAEHN CN(C)Cc1cccc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)c1 ZINC000172613707 327211772 /nfs/dbraw/zinc/21/17/72/327211772.db2.gz ATMGNJQTUBTLIZ-QGZVFWFLSA-N 0 3 358.463 2.397 10 0 FEAEHN CN(C)C[C@H](NC(=O)CNC(=O)c1cc2ccccc2[nH]1)c1ccccc1 ZINC000173142750 327237486 /nfs/dbraw/zinc/23/74/86/327237486.db2.gz AKHCUZHTRBROHJ-IBGZPJMESA-N 0 3 364.449 2.317 10 0 FEAEHN COCCCCNC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000173887126 327291419 /nfs/dbraw/zinc/29/14/19/327291419.db2.gz CQODNTIUVKSMKZ-LJQANCHMSA-N 0 3 363.502 2.158 10 0 FEAEHN CNc1cc(N2CCC[C@H]2CN[C@@H](C)C(=O)Nc2ccccc2C)ncn1 ZINC000174285353 327316938 /nfs/dbraw/zinc/31/69/38/327316938.db2.gz FGUOIVCVEUVDMJ-HOTGVXAUSA-N 0 3 368.485 2.412 10 0 FEAEHN CNc1cc(N2CCC[C@H]2CN[C@@H](C)C(=O)Nc2cccc(F)c2)ncn1 ZINC000174287001 327317228 /nfs/dbraw/zinc/31/72/28/327317228.db2.gz LAUYAWAQYSTRCY-BBRMVZONSA-N 0 3 372.448 2.243 10 0 FEAEHN Cn1cc([C@H]2CCCN2C(=O)CCN2CCN(c3ccccc3)CC2)cn1 ZINC000174612547 327338557 /nfs/dbraw/zinc/33/85/57/327338557.db2.gz BJWVWNWZQMHBLI-HXUWFJFHSA-N 0 3 367.497 2.296 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)NC[C@H](O)CN2CCCCC2)C12CCCCC2 ZINC000177623445 327534011 /nfs/dbraw/zinc/53/40/11/327534011.db2.gz ZRFZKNBLTPXZMG-OKZBNKHCSA-N 0 3 367.534 2.260 10 0 FEAEHN C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCO[C@@H](CN(C)C)C1 ZINC000246288182 328605587 /nfs/dbraw/zinc/60/55/87/328605587.db2.gz IHDCBZHEPAAQLP-VBQJREDUSA-N 0 3 353.894 2.168 10 0 FEAEHN C[C@@H](NC(=O)[C@H](C)N[C@H]1CCc2ncnn2C1)c1ccc2c(c1)CCCC2 ZINC000247474064 328689129 /nfs/dbraw/zinc/68/91/29/328689129.db2.gz HRKLALHVXAAUIJ-VCBZYWHSSA-N 0 3 367.497 2.327 10 0 FEAEHN C[C@@H](C(=O)OC(C)(C)C)N(C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249297538 328764367 /nfs/dbraw/zinc/76/43/67/328764367.db2.gz MXGIQRDAAMPRCR-DOTOQJQBSA-N 0 3 363.502 2.068 10 0 FEAEHN COc1ccc(-c2csc(NC(=O)C3(N)CCOCC3)n2)cc1F ZINC000261695628 328812534 /nfs/dbraw/zinc/81/25/34/328812534.db2.gz DLIXHDFOEJMGSR-UHFFFAOYSA-N 0 3 351.403 2.404 10 0 FEAEHN Cc1ccc(NC(=O)C2(CNC(=O)C3(N)CCOCC3)CCCC2)cc1C ZINC000261760664 328817310 /nfs/dbraw/zinc/81/73/10/328817310.db2.gz FWSAKOLWBIGPSK-UHFFFAOYSA-N 0 3 373.497 2.426 10 0 FEAEHN O=C(Cc1csc(-c2cnccn2)n1)NC[C@H]1NCCc2ccccc21 ZINC000262320637 328859004 /nfs/dbraw/zinc/85/90/04/328859004.db2.gz FFODGDMITSQAJG-MRXNPFEDSA-N 0 3 365.462 2.146 10 0 FEAEHN CN1CCC(C(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)CC1 ZINC000275567155 523749256 /nfs/dbraw/zinc/74/92/56/523749256.db2.gz IPGQSKXGEFGDNJ-QGZVFWFLSA-N 0 3 358.486 2.003 10 0 FEAEHN CCOc1ccc(OC[C@H](O)CN2CCC(c3nncn3CC)CC2)cc1 ZINC000155436102 545526005 /nfs/dbraw/zinc/52/60/05/545526005.db2.gz JUAVZGCHFPHIHA-QGZVFWFLSA-N 0 3 374.485 2.316 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000170855196 546179795 /nfs/dbraw/zinc/17/97/95/546179795.db2.gz KSLZGRAMWLIELV-SJCJKPOMSA-N 0 3 365.886 2.431 10 0 FEAEHN O=C(NC[C@@H](O)CN1CCCCC1)Nc1ccc(OC2CCCC2)nc1 ZINC000171156899 546194315 /nfs/dbraw/zinc/19/43/15/546194315.db2.gz CLLGNQPNDWFPDI-MRXNPFEDSA-N 0 3 362.474 2.371 10 0 FEAEHN O=C(NCCc1ccc(Br)cc1)N1CCN2CCC[C@H]2C1 ZINC000172338465 546248802 /nfs/dbraw/zinc/24/88/02/546248802.db2.gz OZRZDPZQDIDUFR-HNNXBMFYSA-N 0 3 352.276 2.481 10 0 FEAEHN COc1cc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)ccc1OC(F)F ZINC000175587555 546315682 /nfs/dbraw/zinc/31/56/82/546315682.db2.gz ZZWFOUYPAWLIIY-HIFRSBDPSA-N 0 3 356.413 2.449 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 ZINC000176037216 546393809 /nfs/dbraw/zinc/39/38/09/546393809.db2.gz DPLBQHPDJMOBAA-AWEZNQCLSA-N 0 3 350.438 2.476 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2ccccc2NCc2cccnc2)CCO1 ZINC000176160005 546415462 /nfs/dbraw/zinc/41/54/62/546415462.db2.gz BLCOKWQFYNJSLT-KRWDZBQOSA-N 0 3 354.454 2.096 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCC(=O)Nc1ccc(Cl)cc1 ZINC000176260082 546425237 /nfs/dbraw/zinc/42/52/37/546425237.db2.gz KNPBQGXQEUCKIG-OAHLLOKOSA-N 0 3 352.866 2.404 10 0 FEAEHN CCNC(=O)COc1cccc(NC(=O)N(C)C[C@H]2CCCN2CC)c1 ZINC000176289382 546427373 /nfs/dbraw/zinc/42/73/73/546427373.db2.gz LCXHNPFHTXYOEN-MRXNPFEDSA-N 0 3 362.474 2.150 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCCNC(=O)CC1CCCCC1 ZINC000176299305 546429329 /nfs/dbraw/zinc/42/93/29/546429329.db2.gz QGWQTDBDQYNPNI-QGZVFWFLSA-N 0 3 352.523 2.199 10 0 FEAEHN CCn1nnnc1-c1cccc(NC(=O)N(C)C[C@@H]2CCCN2CC)c1 ZINC000176361086 546436330 /nfs/dbraw/zinc/43/63/30/546436330.db2.gz AWMQANVXMQIOAL-INIZCTEOSA-N 0 3 357.462 2.308 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000176418360 546442834 /nfs/dbraw/zinc/44/28/34/546442834.db2.gz AYJVNJVGMCVPEU-CGTJXYLNSA-N 0 3 358.486 2.306 10 0 FEAEHN CCOc1ccc(NC(=O)C(=O)N(C)C[C@H]2CCCN2CC)cc1F ZINC000176891031 546501526 /nfs/dbraw/zinc/50/15/26/546501526.db2.gz ARGSEZMNJLRRBJ-CQSZACIVSA-N 0 3 351.422 2.106 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc(Cl)c1N(C)C ZINC000176902286 546504351 /nfs/dbraw/zinc/50/43/51/546504351.db2.gz QWNCNQVPJDMTKD-CYBMUJFWSA-N 0 3 366.893 2.287 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)CCn1cnc2c(C)cccc2c1=O ZINC000176988847 546519035 /nfs/dbraw/zinc/51/90/35/546519035.db2.gz FQMVOCKMSQWUFO-INIZCTEOSA-N 0 3 356.470 2.038 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000177003016 546521611 /nfs/dbraw/zinc/52/16/11/546521611.db2.gz JSYNBAXOZVOQQO-CVEARBPZSA-N 0 3 353.532 2.021 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000177013800 546524077 /nfs/dbraw/zinc/52/40/77/546524077.db2.gz YIGYZCSFAIQAON-CYBMUJFWSA-N 0 3 373.906 2.268 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000177015694 546524462 /nfs/dbraw/zinc/52/44/62/546524462.db2.gz URYZTZTZHBMAHL-AWEZNQCLSA-N 0 3 368.437 2.085 10 0 FEAEHN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N(C)C[C@H]1CCCN1CC ZINC000177022776 546525002 /nfs/dbraw/zinc/52/50/02/546525002.db2.gz KQAAKWOFAOMJPL-RTBURBONSA-N 0 3 359.514 2.457 10 0 FEAEHN CCOC(=O)Cc1csc(NC(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)n1 ZINC000177028742 546526831 /nfs/dbraw/zinc/52/68/31/546526831.db2.gz MJAXMUKPKBEEPN-AAEUAGOBSA-N 0 3 354.476 2.099 10 0 FEAEHN CCCNC(=O)c1cccc(CNC(=O)N(C)C[C@@H]2CCCN2CC)c1 ZINC000177398619 546609842 /nfs/dbraw/zinc/60/98/42/546609842.db2.gz UEWKUBXFHXBRLX-SFHVURJKSA-N 0 3 360.502 2.452 10 0 FEAEHN CCN1CCC[C@H]1CN(C)CC(=O)NCc1cc(Cl)ccc1OC ZINC000177712633 546672733 /nfs/dbraw/zinc/67/27/33/546672733.db2.gz CMCJTCSDGREIEW-INIZCTEOSA-N 0 3 353.894 2.381 10 0 FEAEHN O[C@@H](COc1ccccc1Cl)CN1CCC(Nc2cccnn2)CC1 ZINC000178607448 546819917 /nfs/dbraw/zinc/81/99/17/546819917.db2.gz CRRSBXFMNXRHCL-OAHLLOKOSA-N 0 3 362.861 2.446 10 0 FEAEHN COC(=O)c1ccccc1NC(=O)CN1CCC[C@H]1Cn1ccnc1C ZINC000178751338 546843115 /nfs/dbraw/zinc/84/31/15/546843115.db2.gz KMYXLGPJNDDDPD-HNNXBMFYSA-N 0 3 356.426 2.081 10 0 FEAEHN Cc1cc(C(=O)N2CCO[C@@H](CN(C)C)C2)nn1-c1cccc(Cl)c1 ZINC000180420635 547105113 /nfs/dbraw/zinc/10/51/13/547105113.db2.gz SLBBFSFDWLPBGI-INIZCTEOSA-N 0 3 362.861 2.237 10 0 FEAEHN COc1ccc([C@@H](C)N[C@H]2CCc3ncnn3C2)cc1Cn1cccn1 ZINC000180593873 547138921 /nfs/dbraw/zinc/13/89/21/547138921.db2.gz ZFSHFHJYBGNZLG-PBHICJAKSA-N 0 3 352.442 2.197 10 0 FEAEHN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000181280248 547284833 /nfs/dbraw/zinc/28/48/33/547284833.db2.gz ZEAJWRPAJXSVOL-NVXWUHKLSA-N 0 3 370.501 2.495 10 0 FEAEHN O=C(NCCCn1ccnn1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000182351462 547477097 /nfs/dbraw/zinc/47/70/97/547477097.db2.gz DPMPZRLIJRQOKC-GOSISDBHSA-N 0 3 356.474 2.022 10 0 FEAEHN CCC[C@@H]1C[C@@H](C(=O)NC[C@H](O)CN2CCc3ccccc3C2)CCO1 ZINC000182619406 547524019 /nfs/dbraw/zinc/52/40/19/547524019.db2.gz DJHGSFXCJHWDQU-YSIASYRMSA-N 0 3 360.498 2.117 10 0 FEAEHN CCN(CCNC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2)C1CC1 ZINC000182632252 547524353 /nfs/dbraw/zinc/52/43/53/547524353.db2.gz YWKZNNCFSABPSB-INIZCTEOSA-N 0 3 360.506 2.335 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000182661765 547529279 /nfs/dbraw/zinc/52/92/79/547529279.db2.gz UQORQGXXQGCRND-CHWSQXEVSA-N 0 3 360.426 2.188 10 0 FEAEHN CC(C)(C)[C@H](NC(=O)NC[C@H]1CCCCN1Cc1ccccc1)C(N)=O ZINC000183553245 547679891 /nfs/dbraw/zinc/67/98/91/547679891.db2.gz NSAUHLCFXVNSLS-IAGOWNOFSA-N 0 3 360.502 2.240 10 0 FEAEHN CCN1CCC[C@H]1CN(C)CCCS(=O)(=O)c1ccccc1OC ZINC000184228687 547791666 /nfs/dbraw/zinc/79/16/66/547791666.db2.gz VWHKRBYHPKQEOO-INIZCTEOSA-N 0 3 354.516 2.275 10 0 FEAEHN CN(C(=O)NC1Cc2ccccc2C1)C1CCN(CCn2cccn2)CC1 ZINC000184932505 547903274 /nfs/dbraw/zinc/90/32/74/547903274.db2.gz JDIHMEDJJLDINU-UHFFFAOYSA-N 0 3 367.497 2.156 10 0 FEAEHN CN(C)[C@H](CNC(=O)CN1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000184960431 547907229 /nfs/dbraw/zinc/90/72/29/547907229.db2.gz DHBXUNKLKLXMRY-LJQANCHMSA-N 0 3 355.486 2.008 10 0 FEAEHN Cc1ccc(CCC(=O)N2CCO[C@@H](CN(C)C)C2)c(Br)c1 ZINC000185439382 547984661 /nfs/dbraw/zinc/98/46/61/547984661.db2.gz SSZCXRQWJJBTOY-HNNXBMFYSA-N 0 3 369.303 2.479 10 0 FEAEHN COCc1c(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cnn1-c1ccccc1 ZINC000185831764 548041996 /nfs/dbraw/zinc/04/19/96/548041996.db2.gz YQPMGMXFGRQBKM-YJBOKZPZSA-N 0 3 356.470 2.477 10 0 FEAEHN CC(C)OCCNC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000186335796 548120771 /nfs/dbraw/zinc/12/07/71/548120771.db2.gz SFGDTXHRYNSYLG-IBGZPJMESA-N 0 3 363.502 2.156 10 0 FEAEHN C[C@H](NCC(=O)NC(=O)NC1CCCC1)c1cccc(-n2ccnc2)c1 ZINC000189901872 548314070 /nfs/dbraw/zinc/31/40/70/548314070.db2.gz NXFCCZJGCVARSY-AWEZNQCLSA-N 0 3 355.442 2.291 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2cn(C(C)(C)C)nn2)C1 ZINC000190641600 548330885 /nfs/dbraw/zinc/33/08/85/548330885.db2.gz JKSQBBJUUQCCGS-MRXNPFEDSA-N 0 3 356.474 2.022 10 0 FEAEHN CCCCCNC(=O)C1CCN(C(=O)N[C@@H]2CCCN(CC)C2)CC1 ZINC000194175823 548445816 /nfs/dbraw/zinc/44/58/16/548445816.db2.gz KGYRDOPHWIRPHA-QGZVFWFLSA-N 0 3 352.523 2.199 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000194186521 548446503 /nfs/dbraw/zinc/44/65/03/548446503.db2.gz KSFAKTICNRLAJF-GOSISDBHSA-N 0 3 366.550 2.397 10 0 FEAEHN OC(CN1CCCC[C@@H]1c1cn[nH]c1)CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000194725175 548520500 /nfs/dbraw/zinc/52/05/00/548520500.db2.gz FVHWKAPCXAYJOB-RTBURBONSA-N 0 3 358.490 2.248 10 0 FEAEHN CN(Cc1ccc2c(c1)sc(=O)n2C)[C@H]1CCCN(c2cccnn2)C1 ZINC000195010160 548563657 /nfs/dbraw/zinc/56/36/57/548563657.db2.gz TYJBUXASXXGMNM-HNNXBMFYSA-N 0 3 369.494 2.491 10 0 FEAEHN COc1cccc([C@H](CNC(=O)NC[C@H]2CCCN2C)N2CCCC2)c1 ZINC000195122578 548581224 /nfs/dbraw/zinc/58/12/24/548581224.db2.gz DHEYMEQWKYMDTJ-MJGOQNOKSA-N 0 3 360.502 2.226 10 0 FEAEHN O=C(c1nn(-c2ccccc2F)c2c1CCC2)N1CCN2CCC[C@H]2C1 ZINC000195332295 548625949 /nfs/dbraw/zinc/62/59/49/548625949.db2.gz OGKXBEFMAOSNQC-AWEZNQCLSA-N 0 3 354.429 2.420 10 0 FEAEHN O=C(OCc1ccccc1)N1CCC(C(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000195332769 548626052 /nfs/dbraw/zinc/62/60/52/548626052.db2.gz XODASGOPENAFNL-LJQANCHMSA-N 0 3 371.481 2.342 10 0 FEAEHN COC(=O)Nc1ccc(CNC(=O)CN2CCC(c3ccn[nH]3)CC2)cc1 ZINC000195507275 548651791 /nfs/dbraw/zinc/65/17/91/548651791.db2.gz NPUREIXCKIVMQM-UHFFFAOYSA-N 0 3 371.441 2.084 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C[C@@H](NC(C)=O)c1c(F)cccc1F ZINC000245432082 548917180 /nfs/dbraw/zinc/91/71/80/548917180.db2.gz NSZGAMPGNGNDPC-WMLDXEAASA-N 0 3 367.440 2.475 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000245652703 548966113 /nfs/dbraw/zinc/96/61/13/548966113.db2.gz FAHHSTIDWCTRFF-QGTPRVQTSA-N 0 3 366.456 2.494 10 0 FEAEHN COCCN1CCN(Cc2cc(C)c(OCC(=O)OC)c(C)c2)C[C@@H]1C ZINC000245722103 548982713 /nfs/dbraw/zinc/98/27/13/548982713.db2.gz IBEGLTGNWRSNPG-KRWDZBQOSA-N 0 3 364.486 2.008 10 0 FEAEHN CC[C@@H]1CN(Cc2ccc(O[C@H](C)C(=O)OC)cc2)CCN1CCOC ZINC000245799595 548996782 /nfs/dbraw/zinc/99/67/82/548996782.db2.gz XRBCAJKDWFMYQV-SJLPKXTDSA-N 0 3 364.486 2.170 10 0 FEAEHN CC[C@H](NC(=O)CN1CCO[C@@H](CN(C)C)C1)c1ccc(Cl)cc1 ZINC000246242657 549087624 /nfs/dbraw/zinc/08/76/24/549087624.db2.gz DIVLYAWNSSQJNC-IRXDYDNUSA-N 0 3 353.894 2.170 10 0 FEAEHN C[C@@H](OC[C@@H](O)CN1CCN(C[C@H](C)O)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000246272364 549093305 /nfs/dbraw/zinc/09/33/05/549093305.db2.gz HFYPHVJRTKJQLN-OLMMMNRUSA-N 0 3 370.921 2.165 10 0 FEAEHN O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)N1CCN2CCC[C@H]2C1 ZINC000246327796 549105750 /nfs/dbraw/zinc/10/57/50/549105750.db2.gz XPSNMTBSZNSXLC-KBPBESRZSA-N 0 3 350.413 2.033 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000246431659 549132583 /nfs/dbraw/zinc/13/25/83/549132583.db2.gz NEUBYQZRSWBBCI-SMDDNHRTSA-N 0 3 357.376 2.489 10 0 FEAEHN COC(=O)[C@@]1(C)CCN(C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000246659344 549184405 /nfs/dbraw/zinc/18/44/05/549184405.db2.gz XUMPCFXNQMFNJB-CJNGLKHVSA-N 0 3 372.259 2.074 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)C1 ZINC000246745852 549203131 /nfs/dbraw/zinc/20/31/31/549203131.db2.gz BEPVIQKYERDZEH-MNEFBYGVSA-N 0 3 363.477 2.044 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc(N2CCNC2=O)ccc1Cl ZINC000246754350 549203756 /nfs/dbraw/zinc/20/37/56/549203756.db2.gz OCKOIUHZXGSMIT-OCCSQVGLSA-N 0 3 362.861 2.178 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)C1 ZINC000246773041 549209398 /nfs/dbraw/zinc/20/93/98/549209398.db2.gz CENNFYHVRXUCPQ-FHLIZLRMSA-N 0 3 359.470 2.263 10 0 FEAEHN CC[C@H]1CN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)CCN1C[C@H](C)O ZINC000246886659 549235359 /nfs/dbraw/zinc/23/53/59/549235359.db2.gz OVPOLQIWRWYGDF-RDJZCZTQSA-N 0 3 356.470 2.302 10 0 FEAEHN C[C@H](O)CN1CCN(CCc2nc(-c3cccc(Cl)c3)no2)C[C@@H]1C ZINC000246963858 549253542 /nfs/dbraw/zinc/25/35/42/549253542.db2.gz KTOPHMHFXDZMID-KBPBESRZSA-N 0 3 364.877 2.319 10 0 FEAEHN C[C@H](O)CN1CCN(CCC(=O)Nc2ccccc2C(F)(F)F)C[C@H]1C ZINC000247306988 549315313 /nfs/dbraw/zinc/31/53/13/549315313.db2.gz VDMHUNSVXWJHCQ-KGLIPLIRSA-N 0 3 373.419 2.421 10 0 FEAEHN C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC[C@@H](Cn2cncn2)C1 ZINC000247868038 549387624 /nfs/dbraw/zinc/38/76/24/549387624.db2.gz WZMBPRLKYLZOPF-GVDBMIGSSA-N 0 3 353.470 2.356 10 0 FEAEHN CC[C@@H]1CN(C[C@@H](O)COc2ccc3ccccc3c2)CCN1C[C@H](C)O ZINC000247880325 549389603 /nfs/dbraw/zinc/38/96/03/549389603.db2.gz ZFQVHAROSKKBBK-IOMROCGXSA-N 0 3 372.509 2.357 10 0 FEAEHN COCc1c(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cnn1-c1ccccc1 ZINC000248643155 549475388 /nfs/dbraw/zinc/47/53/88/549475388.db2.gz YQPMGMXFGRQBKM-MAUKXSAKSA-N 0 3 356.470 2.477 10 0 FEAEHN COc1c(CN2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c(C)nn1C ZINC000248644033 549475794 /nfs/dbraw/zinc/47/57/94/549475794.db2.gz RWMHCIYDBYMYJI-CWRNSKLLSA-N 0 3 364.490 2.472 10 0 FEAEHN CCN(CC)C(=O)[C@@H](C)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000248662650 549479410 /nfs/dbraw/zinc/47/94/10/549479410.db2.gz YQVAOZQBJYCZTM-CVEARBPZSA-N 0 3 352.548 2.462 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc(N3C[C@@H](C)O[C@@H](C)C3)ccn2)C1 ZINC000248835899 549510103 /nfs/dbraw/zinc/51/01/03/549510103.db2.gz OBNGMSDODLUMTL-YIOZNXECSA-N 0 3 360.502 2.154 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1nnn(Cc2ccc(F)cc2)c1C ZINC000248870853 549517504 /nfs/dbraw/zinc/51/75/04/549517504.db2.gz ORBDWYMVUJFCSA-ROUUACIJSA-N 0 3 371.460 2.473 10 0 FEAEHN CC[C@@H](C)NC(=O)CN1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000248957493 549531782 /nfs/dbraw/zinc/53/17/82/549531782.db2.gz BSYHUQWFRJCEAM-HZPDHXFCSA-N 0 3 355.523 2.029 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1OC(F)(F)F ZINC000249172115 549564820 /nfs/dbraw/zinc/56/48/20/549564820.db2.gz LLFZXSLGNRYOAN-RYUDHWBXSA-N 0 3 371.359 2.219 10 0 FEAEHN CCN(C(=O)NC[C@H](C)N1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000249274653 549575125 /nfs/dbraw/zinc/57/51/25/549575125.db2.gz CMHWQBLEHFPDKW-ICSRJNTNSA-N 0 3 374.529 2.013 10 0 FEAEHN CN(C)[C@H](CNC(=O)CN1CCCC[C@H]1c1cn[nH]c1)c1ccccc1 ZINC000249286686 549576408 /nfs/dbraw/zinc/57/64/08/549576408.db2.gz IORVKENOZNOWKK-RBUKOAKNSA-N 0 3 355.486 2.356 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000249539021 549602744 /nfs/dbraw/zinc/60/27/44/549602744.db2.gz DIURWJRLIZSQNJ-UHOFOFEASA-N 0 3 356.388 2.304 10 0 FEAEHN CC(=O)N[C@@H]1CCCN(C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000249740246 549622455 /nfs/dbraw/zinc/62/24/55/549622455.db2.gz XPQOEPFZTMZPDZ-VHSSKADRSA-N 0 3 354.878 2.379 10 0 FEAEHN NC1(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CCOCC1 ZINC000261748526 549751405 /nfs/dbraw/zinc/75/14/05/549751405.db2.gz FBYNNDIDOJKSTE-OAHLLOKOSA-N 0 3 369.868 2.068 10 0 FEAEHN CC(C)CNC(=O)c1ccc(NC(=O)C2(N)CCOCC2)cc1Cl ZINC000261770505 549753410 /nfs/dbraw/zinc/75/34/10/549753410.db2.gz GRWOAQYQKDDZHV-UHFFFAOYSA-N 0 3 353.850 2.172 10 0 FEAEHN NC1(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)CCOCC1 ZINC000261898921 549767843 /nfs/dbraw/zinc/76/78/43/549767843.db2.gz RKGFZKKZPTUINR-UHFFFAOYSA-N 0 3 353.394 2.459 10 0 FEAEHN c1cn(CCc2ccccc2)c(CN[C@@H]2CCC[C@@H]2[C@@H]2COCCN2)n1 ZINC000261962993 549774764 /nfs/dbraw/zinc/77/47/64/549774764.db2.gz PUMWIMMYGDNGDI-ZCNNSNEGSA-N 0 3 354.498 2.373 10 0 FEAEHN CN1CCNC[C@H]1c1noc(COc2ccc(Cl)c3cccnc23)n1 ZINC000263224134 549886641 /nfs/dbraw/zinc/88/66/41/549886641.db2.gz MNJBUGFYTNQCDX-ZDUSSCGKSA-N 0 3 359.817 2.426 10 0 FEAEHN COC[C@@H](O)CN1CCC(Nc2ccc(Br)c(C)n2)CC1 ZINC000302117423 553704735 /nfs/dbraw/zinc/70/47/35/553704735.db2.gz CLOXNUYILHUSJJ-ZDUSSCGKSA-N 0 3 358.280 2.036 10 0 FEAEHN CCN1CCC[C@@H](CN(C)C(=O)c2cnnc(C)c2)[C@@H]1c1cnn(C)c1 ZINC000329883125 554024098 /nfs/dbraw/zinc/02/40/98/554024098.db2.gz QTEGOVQGZJUINM-MAUKXSAKSA-N 0 3 356.474 2.064 10 0 FEAEHN COc1cc([C@H](N)CC[NH3+])c(Br)c(Br)c1[O-] ZINC000396461802 558623333 /nfs/dbraw/zinc/62/33/33/558623333.db2.gz JCXLAWPOGRQTHH-ZCFIWIBFSA-N 0 3 354.042 2.274 10 0 FEAEHN COCCN1CCN([C@@]2(C)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000725265621 570539674 /nfs/dbraw/zinc/53/96/74/570539674.db2.gz OWNDICROLXVGGQ-IBGZPJMESA-N 0 3 355.523 2.430 10 0 FEAEHN CN(Cc1cn(C(C)(C)C)nn1)C[C@@H]1CCCN(C)[C@H]1c1cncn1C ZINC000583619055 570808410 /nfs/dbraw/zinc/80/84/10/570808410.db2.gz AAVHKLUVZPZDGC-MAUKXSAKSA-N 0 3 359.522 2.282 10 0 FEAEHN CN(C)C[C@@H](NC(=O)C[C@@H](NC(N)=O)c1cccs1)c1ccccc1 ZINC000041999746 670154775 /nfs/dbraw/zinc/15/47/75/670154775.db2.gz PKILQUORKVXMPP-HUUCEWRRSA-N 0 3 360.483 2.267 10 0 FEAEHN CCn1cc(S(=O)(=O)N[C@@H]2CCCN(CC3CCCCC3)C2)cn1 ZINC000072150406 670495361 /nfs/dbraw/zinc/49/53/61/670495361.db2.gz KLFYYKYSPQIWGY-MRXNPFEDSA-N 0 3 354.520 2.226 10 0 FEAEHN C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000193644102 672731888 /nfs/dbraw/zinc/73/18/88/672731888.db2.gz BKLAMFAKJWTMMF-BXKDBHETSA-N 0 3 364.243 2.161 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)CCc2ccc(OC)c(OC)c2OC)C1 ZINC000194665213 672765261 /nfs/dbraw/zinc/76/52/61/672765261.db2.gz HDNLZCDTSFMQFM-OAHLLOKOSA-N 0 3 350.459 2.246 10 0 FEAEHN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCCN(CC)C2)C1 ZINC000195334807 672782732 /nfs/dbraw/zinc/78/27/32/672782732.db2.gz YASRAJWFGHMKLG-YESZJQIVSA-N 0 3 352.523 2.197 10 0 FEAEHN Cc1sc(Br)cc1S(=O)(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000228129973 672796811 /nfs/dbraw/zinc/79/68/11/672796811.db2.gz XPVYEKSAFRGCMA-SCZZXKLOSA-N 0 3 367.334 2.390 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000237040168 672805784 /nfs/dbraw/zinc/80/57/84/672805784.db2.gz IWLIUNVAMYCBDH-YNEHKIRRSA-N 0 3 351.413 2.009 10 0 FEAEHN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNCc2cc(F)c(F)c(F)c2)C1 ZINC000702761124 673058535 /nfs/dbraw/zinc/05/85/35/673058535.db2.gz ANKLIVZZDBXDKT-FZMZJTMJSA-N 0 3 360.376 2.421 10 0 FEAEHN CCN(CC)C(=O)c1cn(C[C@@H]2CCCN(Cc3cccnc3)C2)nn1 ZINC000012247838 539552149 /nfs/dbraw/zinc/55/21/49/539552149.db2.gz GTEZBDPVLXBHIB-QGZVFWFLSA-N 0 3 356.474 2.067 10 0 FEAEHN CN(C)C[C@H](NC(=O)CCn1cnc2sccc2c1=O)c1ccccc1 ZINC000029954147 539869997 /nfs/dbraw/zinc/86/99/97/539869997.db2.gz IMXLRKNAMRYBLK-INIZCTEOSA-N 0 3 370.478 2.267 10 0 FEAEHN O[C@@H](CNCc1ccc(-n2cccn2)cc1)CN1CCc2ccccc2C1 ZINC000030903475 539893834 /nfs/dbraw/zinc/89/38/34/539893834.db2.gz QQCGKOWBCQJPES-QFIPXVFZSA-N 0 3 362.477 2.381 10 0 FEAEHN CN(C)C[C@H](NC(=O)NCC(=O)N(C)Cc1ccccc1)c1ccccc1 ZINC000056927564 540756191 /nfs/dbraw/zinc/75/61/91/540756191.db2.gz COZAASQMTMGOQT-IBGZPJMESA-N 0 3 368.481 2.247 10 0 FEAEHN Cc1cccc(C)c1OC[C@@H](C)NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000056959823 540757860 /nfs/dbraw/zinc/75/78/60/540757860.db2.gz OIVHGNAVNHJGDA-QZTJIDSGSA-N 0 3 363.502 2.217 10 0 FEAEHN C[C@H](CNC(=O)NC[C@H]1CCCCN1Cc1ccccc1)N1CCOCC1 ZINC000067734292 541506814 /nfs/dbraw/zinc/50/68/14/541506814.db2.gz JNYFTLBAKWTYMY-UYAOXDASSA-N 0 3 374.529 2.061 10 0 FEAEHN CN(C[C@@H]1CCN(C)C1)S(=O)(=O)c1sccc1Br ZINC000071193020 541765973 /nfs/dbraw/zinc/76/59/73/541765973.db2.gz AQHMREZNMXVOKQ-SECBINFHSA-N 0 3 353.307 2.083 10 0 FEAEHN COCCN1CCC(CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)CC1 ZINC000075166838 205035443 /nfs/dbraw/zinc/03/54/43/205035443.db2.gz ZIUKNOWOGUWYMF-UHFFFAOYSA-N 0 3 374.460 2.314 10 0 FEAEHN CCc1nnc(SCC(=O)N[C@@H](C)CN2CCc3ccccc3C2)[nH]1 ZINC000055198400 205209618 /nfs/dbraw/zinc/20/96/18/205209618.db2.gz SPGXGALXIXRUHL-ZDUSSCGKSA-N 0 3 359.499 2.022 10 0 FEAEHN CCc1nc(SCC(=O)N[C@@H](C)CN2CCc3ccccc3C2)n[nH]1 ZINC000055198400 205209623 /nfs/dbraw/zinc/20/96/23/205209623.db2.gz SPGXGALXIXRUHL-ZDUSSCGKSA-N 0 3 359.499 2.022 10 0 FEAEHN CCc1n[nH]c(SCC(=O)N[C@@H](C)CN2CCc3ccccc3C2)n1 ZINC000055198400 205209625 /nfs/dbraw/zinc/20/96/25/205209625.db2.gz SPGXGALXIXRUHL-ZDUSSCGKSA-N 0 3 359.499 2.022 10 0 FEAEHN Cn1ncc2c1nc(-c1cccc3n[nH]cc31)nc2NC1CCN(C)CC1 ZINC000064528365 205299315 /nfs/dbraw/zinc/29/93/15/205299315.db2.gz RRMAFHAVOVQQDO-UHFFFAOYSA-N 0 3 362.441 2.413 10 0 FEAEHN C[C@@H](N[C@@H](C)c1cccc(Br)c1)C(=O)NC(=O)NC1CC1 ZINC000075671864 542196675 /nfs/dbraw/zinc/19/66/75/542196675.db2.gz CJHNJCLKKOTQPN-VHSXEESVSA-N 0 3 354.248 2.476 10 0 FEAEHN CN(CCN1CCOCC1)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000105201374 543164372 /nfs/dbraw/zinc/16/43/72/543164372.db2.gz QEGKLWSNKGKRSW-FQEVSTJZSA-N 0 3 374.529 2.015 10 0 FEAEHN Cc1ccc(N2CCCN(C[C@H](O)COc3ccccc3C)CC2)nn1 ZINC000106071779 543188658 /nfs/dbraw/zinc/18/86/58/543188658.db2.gz WGRWTGHYLXLGDB-SFHVURJKSA-N 0 3 356.470 2.045 10 0 FEAEHN Cc1ccc(C)c(OC[C@H](O)CN2CCC(Nc3cccnn3)CC2)c1 ZINC000106079971 543191551 /nfs/dbraw/zinc/19/15/51/543191551.db2.gz WBYGNGFBZHJMRP-GOSISDBHSA-N 0 3 356.470 2.410 10 0 FEAEHN CCOCCN1CCN(C[C@H](O)COc2ccc(C)cc2C)C[C@@H]1CC ZINC000106116581 543202691 /nfs/dbraw/zinc/20/26/91/543202691.db2.gz VOJOYVKUYBUZDX-PMACEKPBSA-N 0 3 364.530 2.476 10 0 FEAEHN CC[C@@H](O)CN1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 ZINC000106395262 543227564 /nfs/dbraw/zinc/22/75/64/543227564.db2.gz POBHLPNYFQFEIR-CYBMUJFWSA-N 0 3 362.861 2.259 10 0 FEAEHN O=C(NCCCc1c[nH]c2ccccc12)NC[C@@H](O)CN1CCCCC1 ZINC000107851944 543279970 /nfs/dbraw/zinc/27/99/70/543279970.db2.gz NTSJCHIIWNNKMT-QGZVFWFLSA-N 0 3 358.486 2.247 10 0 FEAEHN CN(C(=O)c1cnn(C(C)(C)C)c1)C1CCN(CCn2cccn2)CC1 ZINC000109292537 543320520 /nfs/dbraw/zinc/32/05/20/543320520.db2.gz MBCHJSRCESXXLR-UHFFFAOYSA-N 0 3 358.490 2.071 10 0 FEAEHN CN(C(=O)NC[C@@H]1Cc2ccccc21)C1CCN(CCn2cccn2)CC1 ZINC000109395794 543323308 /nfs/dbraw/zinc/32/33/08/543323308.db2.gz KZMIIAVXEFOPGG-SFHVURJKSA-N 0 3 367.497 2.329 10 0 FEAEHN C[C@@H](CNc1cc(N2CCC[C@@H]2CO)ncn1)N(C)Cc1ccccc1 ZINC000110594854 543362432 /nfs/dbraw/zinc/36/24/32/543362432.db2.gz DWGATOJKMPOAQB-FUHWJXTLSA-N 0 3 355.486 2.370 10 0 FEAEHN C[C@H](N[C@H]1CCc2ncnn2C1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000112550181 543451572 /nfs/dbraw/zinc/45/15/72/543451572.db2.gz BGYZRDWOEZTTAB-JQWIXIFHSA-N 0 3 369.347 2.108 10 0 FEAEHN Cc1ccccc1CNC(=O)[C@@H](C)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000112551361 543451982 /nfs/dbraw/zinc/45/19/82/543451982.db2.gz GUAVLGOFYKODRM-WBVHZDCISA-N 0 3 355.486 2.319 10 0 FEAEHN CCc1csc([C@@H]2CCCN(C(=O)NCCN(C)CCOC)C2)n1 ZINC000113612646 543492982 /nfs/dbraw/zinc/49/29/82/543492982.db2.gz PXXACHALMGHLFJ-CQSZACIVSA-N 0 3 354.520 2.173 10 0 FEAEHN CC(C)N1CC[C@H](NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1=O ZINC000114787240 543536407 /nfs/dbraw/zinc/53/64/07/543536407.db2.gz RAULWLCMJQGTKZ-MOPGFXCFSA-N 0 3 372.513 2.350 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NCc2csc(-c3ccccc3)n2)CCO1 ZINC000117051632 543622307 /nfs/dbraw/zinc/62/23/07/543622307.db2.gz QDFFQMJXIRNHJE-MRXNPFEDSA-N 0 3 360.483 2.282 10 0 FEAEHN Cc1cnn([C@H]2CCCN(Cc3ccccc3OCC(=O)N(C)C)C2)c1 ZINC000123053352 543740238 /nfs/dbraw/zinc/74/02/38/543740238.db2.gz OLCXDBXLOPWRFX-SFHVURJKSA-N 0 3 356.470 2.496 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)CNC(=O)c1ccccc1C(F)(F)F ZINC000124985838 543854593 /nfs/dbraw/zinc/85/45/93/543854593.db2.gz ZETHYCIITZPYFH-ZDUSSCGKSA-N 0 3 371.403 2.378 10 0 FEAEHN CN(C)C[C@H](NC(=O)N[C@H]1CCN(c2ccccn2)C1)c1ccccc1 ZINC000127147947 543975289 /nfs/dbraw/zinc/97/52/89/543975289.db2.gz HIFINQPZQPNCNX-ROUUACIJSA-N 0 3 353.470 2.262 10 0 FEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1c1ncc(I)cn1 ZINC000128001721 544027022 /nfs/dbraw/zinc/02/70/22/544027022.db2.gz CIRRSLAAMJYOLE-ZYHUDNBSSA-N 0 3 358.227 2.144 10 0 FEAEHN CN(C)C[C@@H]1CN(CC2=Cc3cc(Br)ccc3OC2)CCO1 ZINC000128152997 544035528 /nfs/dbraw/zinc/03/55/28/544035528.db2.gz CBLATWUKLJSDTO-MRXNPFEDSA-N 0 3 367.287 2.487 10 0 FEAEHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)C1 ZINC000247496539 549345081 /nfs/dbraw/zinc/34/50/81/549345081.db2.gz XGQVGSJSIKYBDW-XMTFNYHQSA-N 0 3 366.550 2.442 10 0 FEAEHN CC(C)COc1ccc([C@@H](C)NC(=O)NC[C@@](C)(O)CN(C)C)cc1 ZINC000130828391 544167167 /nfs/dbraw/zinc/16/71/67/544167167.db2.gz IRFRTHUYVZDREH-DNVCBOLYSA-N 0 3 351.491 2.394 10 0 FEAEHN CCC[C@@H](C(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1)N(C)C ZINC000130972386 544172626 /nfs/dbraw/zinc/17/26/26/544172626.db2.gz DLWOWQAOSYYFLS-HOTGVXAUSA-N 0 3 353.532 2.310 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)C1 ZINC000133973843 544289867 /nfs/dbraw/zinc/28/98/67/544289867.db2.gz AUNQIKBPIPHMHL-JSGCOSHPSA-N 0 3 354.857 2.403 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)C1 ZINC000133021537 544252520 /nfs/dbraw/zinc/25/25/20/544252520.db2.gz MXMFYBMSUDXQIE-DLBZAZTESA-N 0 3 352.523 2.055 10 0 FEAEHN CCOc1ccc(NC(=O)CCN2CCN(CCOC)[C@@H](CC)C2)cc1 ZINC000137132360 544385233 /nfs/dbraw/zinc/38/52/33/544385233.db2.gz CYEAQXHYLXNXES-SFHVURJKSA-N 0 3 363.502 2.457 10 0 FEAEHN CCCn1cc(CN2CCCN(C(=O)CN3CCC(C)CC3)CC2)cn1 ZINC000136787492 544379126 /nfs/dbraw/zinc/37/91/26/544379126.db2.gz KFPKBHZPSJLWAE-UHFFFAOYSA-N 0 3 361.534 2.059 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccccc2N2CCCCC2)C1 ZINC000150797661 544472572 /nfs/dbraw/zinc/47/25/72/544472572.db2.gz MFWRPXXTMOUOJM-AEFFLSMTSA-N 0 3 372.513 2.460 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000150805993 544474791 /nfs/dbraw/zinc/47/47/91/544474791.db2.gz NEUBYQZRSWBBCI-RISCZKNCSA-N 0 3 357.376 2.489 10 0 FEAEHN CC(=O)c1cccc(OC[C@@H](O)CN2CC[C@H](CNc3ccccn3)C2)c1 ZINC000151108189 544505903 /nfs/dbraw/zinc/50/59/03/544505903.db2.gz QGUWBCMKPQYUMN-MJGOQNOKSA-N 0 3 369.465 2.458 10 0 FEAEHN CN(C(=O)NCC(C)(C)N1CCCCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000151926629 544596591 /nfs/dbraw/zinc/59/65/91/544596591.db2.gz WMDRGYYBIPSGNC-QGZVFWFLSA-N 0 3 374.533 2.351 10 0 FEAEHN COCCN1CCN(C[C@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC000152942060 544714063 /nfs/dbraw/zinc/71/40/63/544714063.db2.gz CRKVUKXACMXLEW-GDBMZVCRSA-N 0 3 360.420 2.261 10 0 FEAEHN Cc1ccccc1OC[C@@H](O)CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000153765830 544819085 /nfs/dbraw/zinc/81/90/85/544819085.db2.gz NPHSAIHSFAOSRI-RDJZCZTQSA-N 0 3 363.479 2.489 10 0 FEAEHN CN(C)C[C@H]1CN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CCO1 ZINC000155261750 545006181 /nfs/dbraw/zinc/00/61/81/545006181.db2.gz CFPVAROELNGOLK-KRWDZBQOSA-N 0 3 358.461 2.263 10 0 FEAEHN Cc1cc(N2CCC[C@H](N[C@@H](C)c3ccc4c(c3)OCCO4)C2=O)n(C)n1 ZINC000182350378 327771507 /nfs/dbraw/zinc/77/15/07/327771507.db2.gz FYQWPXCCNNGSHW-HOCLYGCPSA-N 0 3 370.453 2.346 10 0 FEAEHN CCCc1c(C(=O)N2CCO[C@@H](CN(C)C)C2)cnn1-c1ccccc1 ZINC000182444526 327775823 /nfs/dbraw/zinc/77/58/23/327775823.db2.gz FQUYUFQEXDTACL-KRWDZBQOSA-N 0 3 356.470 2.227 10 0 FEAEHN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN[C@@H](C)[C@H]1CCCO1 ZINC000183101299 327801630 /nfs/dbraw/zinc/80/16/30/327801630.db2.gz HJSJHFIAVKYLEL-OXJNMPFZSA-N 0 3 370.497 2.322 10 0 FEAEHN CCN(CCO)CCNC(=O)N[C@@H](C)c1ccccc1Br ZINC000187083437 328001152 /nfs/dbraw/zinc/00/11/52/328001152.db2.gz MGLZGYNJPJLSDK-LBPRGKRZSA-N 0 3 358.280 2.124 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000187375007 328020460 /nfs/dbraw/zinc/02/04/60/328020460.db2.gz HKELPWPPYAQUBC-DLBZAZTESA-N 0 3 372.494 2.391 10 0 FEAEHN COc1cc(C)c(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)cc1F ZINC000187610277 328035897 /nfs/dbraw/zinc/03/58/97/328035897.db2.gz MAOVIDSQHHIOSJ-CYBMUJFWSA-N 0 3 353.438 2.174 10 0 FEAEHN CCN(C[C@@H](O)C(F)(F)F)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000187764338 328044664 /nfs/dbraw/zinc/04/46/64/328044664.db2.gz FKCFXJWFYXNYDG-DZGCQCFKSA-N 0 3 361.408 2.462 10 0 FEAEHN C[C@@H]1OCCC[C@H]1C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000188498536 328091058 /nfs/dbraw/zinc/09/10/58/328091058.db2.gz OUJBGWQBXHBDEC-DBVUQKKJSA-N 0 3 360.498 2.363 10 0 FEAEHN C[C@H]1OCCC[C@@H]1C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000188894181 328116255 /nfs/dbraw/zinc/11/62/55/328116255.db2.gz RPSMHGOTYFKETQ-KDOFPFPSSA-N 0 3 359.470 2.138 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000189438592 328148477 /nfs/dbraw/zinc/14/84/77/328148477.db2.gz CSHZVFPVDCJIBT-QZTJIDSGSA-N 0 3 364.511 2.052 10 0 FEAEHN CC(C)COc1cccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1 ZINC000190079820 328186507 /nfs/dbraw/zinc/18/65/07/328186507.db2.gz FKUXDAGDOPRFAX-DOTOQJQBSA-N 0 3 359.470 2.355 10 0 FEAEHN Cc1ncc(-c2ccc(NC(=O)C(=O)N3C[C@@H]4CCCN4C[C@@H]3C)cc2)o1 ZINC000190103241 328188470 /nfs/dbraw/zinc/18/84/70/328188470.db2.gz MATVFIGLVRKIEX-GUYCJALGSA-N 0 3 368.437 2.284 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C2CCCC2)nn1C ZINC000190350868 328201912 /nfs/dbraw/zinc/20/19/12/328201912.db2.gz DKXUYAPLTIPWES-HZPDHXFCSA-N 0 3 373.501 2.101 10 0 FEAEHN Cc1ccc(CNC(=O)N2CC[C@@H](N(C)C)C2)c(-n2cc(Cl)cn2)n1 ZINC000190405045 328205660 /nfs/dbraw/zinc/20/56/60/328205660.db2.gz DQAOVKBDYNTMAE-OAHLLOKOSA-N 0 3 362.865 2.075 10 0 FEAEHN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(CC(=O)N2CCCCC2)CC1 ZINC000190494316 328211400 /nfs/dbraw/zinc/21/14/00/328211400.db2.gz CTHVVUMHYNBOHB-KRWDZBQOSA-N 0 3 367.534 2.127 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2)C1 ZINC000190601266 328218818 /nfs/dbraw/zinc/21/88/18/328218818.db2.gz HCJDKPDYHUGCKR-QGZVFWFLSA-N 0 3 352.438 2.001 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cc(N)nc(Cl)c2)C1 ZINC000190616865 328220024 /nfs/dbraw/zinc/22/00/24/328220024.db2.gz VJSJRLNFJBELMU-AWEZNQCLSA-N 0 3 359.861 2.306 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc3c(c2)OCCO3)C1 ZINC000190627640 328220609 /nfs/dbraw/zinc/22/06/09/328220609.db2.gz CXYNSMSVRPOQMC-QGZVFWFLSA-N 0 3 367.449 2.447 10 0 FEAEHN COc1ccccc1OCC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190660459 328222795 /nfs/dbraw/zinc/22/27/95/328222795.db2.gz RZLQXKQPEUNPPJ-SFHVURJKSA-N 0 3 369.465 2.450 10 0 FEAEHN CCN(C)c1ccc(CNC[C@@H]2CCCN2c2cc(NC)ncn2)cn1 ZINC000190971525 328242849 /nfs/dbraw/zinc/24/28/49/328242849.db2.gz RXHGCTOSJPPYBK-INIZCTEOSA-N 0 3 355.490 2.128 10 0 FEAEHN CCOC(=O)C1CCC(O)(CN2CCO[C@H](Cc3ccccc3)C2)CC1 ZINC000191041798 328247119 /nfs/dbraw/zinc/24/71/19/328247119.db2.gz FKDBYLRSFIGCBU-OBXNSHGQSA-N 0 3 361.482 2.414 10 0 FEAEHN CCC[C@@H](C(=O)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1)N(C)C ZINC000191588461 328273050 /nfs/dbraw/zinc/27/30/50/328273050.db2.gz GIBMIBKFWIYZOK-IRXDYDNUSA-N 0 3 369.550 2.371 10 0 FEAEHN CCN(CC)C(=O)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000191939868 328289647 /nfs/dbraw/zinc/28/96/47/328289647.db2.gz BKNAZHJAOSLQPS-UHFFFAOYSA-N 0 3 360.502 2.332 10 0 FEAEHN CCC[C@H]1CCc2nc(NC(=O)C(=O)N3CC[C@H](N(C)C)C3)sc2C1 ZINC000192877439 328344426 /nfs/dbraw/zinc/34/44/26/328344426.db2.gz IVBBLZSGSLUUCH-STQMWFEESA-N 0 3 364.515 2.149 10 0 FEAEHN C[C@H](CC(=O)NCC1CCN(c2ccncc2)CC1)N1CCCCC1=O ZINC000193746750 328393001 /nfs/dbraw/zinc/39/30/01/328393001.db2.gz CSKOIAQXMCRJFC-MRXNPFEDSA-N 0 3 358.486 2.205 10 0 FEAEHN CN(C)C[C@H](NC(=O)CCc1nc(-c2ccccn2)no1)c1ccccc1 ZINC000048108930 324654156 /nfs/dbraw/zinc/65/41/56/324654156.db2.gz ZXGHYNSSEQFBQF-KRWDZBQOSA-N 0 3 365.437 2.483 10 0 FEAEHN CN(C)Cc1cccc(NC(=O)C(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000048765193 324673381 /nfs/dbraw/zinc/67/33/81/324673381.db2.gz RJWIPBGYFHVSJI-KRWDZBQOSA-N 0 3 353.422 2.327 10 0 FEAEHN Cc1nc(SCC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)n[nH]1 ZINC000081020801 325154352 /nfs/dbraw/zinc/15/43/52/325154352.db2.gz XFZLULBTUMLUIL-INIZCTEOSA-N 0 3 359.499 2.376 10 0 FEAEHN Cc1nnc(SCC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)[nH]1 ZINC000081020801 325154355 /nfs/dbraw/zinc/15/43/55/325154355.db2.gz XFZLULBTUMLUIL-INIZCTEOSA-N 0 3 359.499 2.376 10 0 FEAEHN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000083741722 325224287 /nfs/dbraw/zinc/22/42/87/325224287.db2.gz CIDMBQYJDKXWCJ-SFHVURJKSA-N 0 3 368.485 2.339 10 0 FEAEHN CN(C(=O)Nc1ccc2c(c1)OCO2)C1CCN(CCn2cccn2)CC1 ZINC000109352732 325666134 /nfs/dbraw/zinc/66/61/34/325666134.db2.gz GVAXJWJHHPSPEB-UHFFFAOYSA-N 0 3 371.441 2.240 10 0 FEAEHN C[C@H](N[C@H]1CCc2ncnn2C1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000112550274 325789804 /nfs/dbraw/zinc/78/98/04/325789804.db2.gz QWINUEGYTAGLBB-GWCFXTLKSA-N 0 3 353.348 2.229 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)CCc2cccc(Br)c2)CCO1 ZINC000116786757 326035285 /nfs/dbraw/zinc/03/52/85/326035285.db2.gz XRLNWVONNGZTBA-HNNXBMFYSA-N 0 3 355.276 2.171 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2cccc(CSc3nccn3C)c2)CCO1 ZINC000116785372 326035348 /nfs/dbraw/zinc/03/53/48/326035348.db2.gz QZCFSMOKTNIGPZ-KRWDZBQOSA-N 0 3 374.510 2.115 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2ccnc(OCc3ccccc3)c2)CCO1 ZINC000116794859 326036804 /nfs/dbraw/zinc/03/68/04/326036804.db2.gz KXCNSRNMBBAPNO-GOSISDBHSA-N 0 3 355.438 2.063 10 0 FEAEHN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000118800141 326103226 /nfs/dbraw/zinc/10/32/26/326103226.db2.gz UVLICURHJBHYSX-INIZCTEOSA-N 0 3 374.485 2.025 10 0 FEAEHN Cc1c(NC(=O)N2CCO[C@H](CN(C)C)C2)cccc1C(=O)N1CCCC1 ZINC000118814715 326104263 /nfs/dbraw/zinc/10/42/63/326104263.db2.gz LUZZWFWQIFNVBW-MRXNPFEDSA-N 0 3 374.485 2.025 10 0 FEAEHN CCC[C@@H](C(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)N(C)C ZINC000119219384 326138965 /nfs/dbraw/zinc/13/89/65/326138965.db2.gz HBTXANAKASCZAQ-HIFRSBDPSA-N 0 3 362.392 2.292 10 0 FEAEHN CCC[C@H](C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)N(C)C ZINC000119632697 326183111 /nfs/dbraw/zinc/18/31/11/326183111.db2.gz CVMYFKMASISNBA-GOSISDBHSA-N 0 3 374.529 2.116 10 0 FEAEHN CC(C)C[C@H](C)OCCC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000119824255 326202339 /nfs/dbraw/zinc/20/23/39/326202339.db2.gz WKMVAVNRMNTBBK-PXNSSMCTSA-N 0 3 362.514 2.363 10 0 FEAEHN O=C(NC[C@H](O)CN1CCc2ccccc2C1)[C@@H]1CSc2ccccc21 ZINC000119929636 326213179 /nfs/dbraw/zinc/21/31/79/326213179.db2.gz OYBBPJNVIMYGDL-PKOBYXMFSA-N 0 3 368.502 2.411 10 0 FEAEHN O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000120692080 326279271 /nfs/dbraw/zinc/27/92/71/326279271.db2.gz RUQAFAZBOWLOIR-UGKGYDQZSA-N 0 3 371.525 2.352 10 0 FEAEHN Cc1nccn1CCCCN1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000120957624 326302423 /nfs/dbraw/zinc/30/24/23/326302423.db2.gz DDAHDFPVGUDIMZ-HXUWFJFHSA-N 0 3 372.513 2.029 10 0 FEAEHN Cc1ccnc(NC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)c1 ZINC000121576624 326349070 /nfs/dbraw/zinc/34/90/70/326349070.db2.gz OJEDLZOUBGHZHU-UHFFFAOYSA-N 0 3 354.458 2.201 10 0 FEAEHN C[C@H](NC(=O)c1ccccc1OCCN(C)C)c1nnc2n1CCCC2 ZINC000134027614 326618629 /nfs/dbraw/zinc/61/86/29/326618629.db2.gz VQPOGMNSSBFJEY-AWEZNQCLSA-N 0 3 357.458 2.046 10 0 FEAEHN Cc1c(I)cccc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000154436241 326759937 /nfs/dbraw/zinc/75/99/37/326759937.db2.gz VWZGANAQEMFGHB-LLVKDONJSA-N 0 3 358.223 2.376 10 0 FEAEHN Cc1cc(C)cc(OC[C@H](O)CN2CCC(Nc3cccnn3)CC2)c1 ZINC000155051544 326776239 /nfs/dbraw/zinc/77/62/39/326776239.db2.gz JVYCHWMYBGXIAQ-GOSISDBHSA-N 0 3 356.470 2.410 10 0 FEAEHN CCn1cnnc1C1CCN(C[C@H](O)COCc2cccc(OC)c2)CC1 ZINC000155410382 326787259 /nfs/dbraw/zinc/78/72/59/326787259.db2.gz RRKYEBBNKKIJLF-SFHVURJKSA-N 0 3 374.485 2.064 10 0 FEAEHN CCn1cnnc1C1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000158008944 326881973 /nfs/dbraw/zinc/88/19/73/326881973.db2.gz VSEAWGZCCZBYIH-UHFFFAOYSA-N 0 3 367.453 2.164 10 0 FEAEHN CCC[C@@H](C(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)N(C)C ZINC000161929466 327012920 /nfs/dbraw/zinc/01/29/20/327012920.db2.gz ROPUZOVMTMHELP-HOTGVXAUSA-N 0 3 350.438 2.278 10 0 FEAEHN COc1ccc(Br)cc1CNC(=O)N1CC[C@H](N(C)C)C1 ZINC000170835450 327101316 /nfs/dbraw/zinc/10/13/16/327101316.db2.gz LBFOGZSVOROFMD-ZDUSSCGKSA-N 0 3 356.264 2.303 10 0 FEAEHN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N3CC[C@H](N(C)C)C3)c2C1 ZINC000170843338 327102190 /nfs/dbraw/zinc/10/21/90/327102190.db2.gz OJUQGTNCFWYAIE-WBVHZDCISA-N 0 3 372.513 2.148 10 0 FEAEHN CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000170843240 327102339 /nfs/dbraw/zinc/10/23/39/327102339.db2.gz JGXFWRFNVXINPG-LBPRGKRZSA-N 0 3 373.375 2.205 10 0 FEAEHN Cc1ccc(-n2cnnc2SCC(=O)N2CC[C@@H](N(C)C)C2)cc1C ZINC000170856490 327103028 /nfs/dbraw/zinc/10/30/28/327103028.db2.gz ULFJUPRXMQIGDP-MRXNPFEDSA-N 0 3 359.499 2.139 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccccc2SCC(=O)N2CCCC2)C1 ZINC000170862312 327103277 /nfs/dbraw/zinc/10/32/77/327103277.db2.gz OSXBCDZPAOLIPQ-OAHLLOKOSA-N 0 3 361.511 2.177 10 0 FEAEHN COc1ccc([C@@H](CNC(=O)N2CC[C@@H](N(C)C)C2)N2CCCC2)cc1 ZINC000170862286 327103314 /nfs/dbraw/zinc/10/33/14/327103314.db2.gz MAVINDGWSHYQFR-IEBWSBKVSA-N 0 3 360.502 2.178 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000170866099 327104026 /nfs/dbraw/zinc/10/40/26/327104026.db2.gz SYUWSOVZYNABNI-GOSISDBHSA-N 0 3 359.470 2.198 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000170867966 327104145 /nfs/dbraw/zinc/10/41/45/327104145.db2.gz SWIFEEQDNFBIAP-IZBXYKSJSA-N 0 3 373.541 2.356 10 0 FEAEHN CN(Cc1cccc2c1OCCO2)C1CCN(CCn2cccn2)CC1 ZINC000170942158 327108800 /nfs/dbraw/zinc/10/88/00/327108800.db2.gz RZHXZTGZWJTHAW-UHFFFAOYSA-N 0 3 356.470 2.251 10 0 FEAEHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)N[C@@H]2CCCN(CC)C2)C1 ZINC000171351448 327134173 /nfs/dbraw/zinc/13/41/73/327134173.db2.gz DJBQMWZTARVEOC-BRWVUGGUSA-N 0 3 352.523 2.197 10 0 FEAEHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccc3c(c2)CCCO3)CC1 ZINC000171399381 327136882 /nfs/dbraw/zinc/13/68/82/327136882.db2.gz AMBBLJMKLNYUIQ-UHFFFAOYSA-N 0 3 374.485 2.030 10 0 FEAEHN COc1ccccc1CNC(=O)CN1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000171653451 327152206 /nfs/dbraw/zinc/15/22/06/327152206.db2.gz HMYLTQOQSRMQJL-KRWDZBQOSA-N 0 3 368.481 2.449 10 0 FEAEHN Cc1nccn1-c1ccc(CNC(=O)N2CCN3CCC[C@@H]3C2)cc1F ZINC000171904623 327169022 /nfs/dbraw/zinc/16/90/22/327169022.db2.gz NRHIIKZMWVXIFI-MRXNPFEDSA-N 0 3 357.433 2.309 10 0 FEAEHN C[C@H](NC(=O)N1CCN2CCC[C@@H]2C1)c1cccc(N2CCOC2=O)c1 ZINC000171904803 327169368 /nfs/dbraw/zinc/16/93/68/327169368.db2.gz NPWHJNNTRNIBMW-WMLDXEAASA-N 0 3 358.442 2.194 10 0 FEAEHN CCn1cc(CN2CCCN(C(=O)[C@H](C)N3CCCCCC3)CC2)cn1 ZINC000173156176 327237949 /nfs/dbraw/zinc/23/79/49/327237949.db2.gz BXBWCCILKYCPRX-SFHVURJKSA-N 0 3 361.534 2.202 10 0 FEAEHN CC[C@H](O)CN1CCN(C(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000173163592 327238461 /nfs/dbraw/zinc/23/84/61/327238461.db2.gz WSIZKNRYJWONKQ-HNNXBMFYSA-N 0 3 359.470 2.023 10 0 FEAEHN CCN1CCN(C[C@H](C)CNC(=O)NC2C3CC4CC(C3)CC2C4)CC1 ZINC000173448148 327258134 /nfs/dbraw/zinc/25/81/34/327258134.db2.gz SDTYNCAOEJUGCM-YDGYHQHPSA-N 0 3 362.562 2.384 10 0 FEAEHN C[C@@H](SCC(=O)N1CCO[C@@H](CN(C)C)C1)c1nc2ccccc2[nH]1 ZINC000174245020 327315339 /nfs/dbraw/zinc/31/53/39/327315339.db2.gz LQUPPBNTNZTIQQ-KGLIPLIRSA-N 0 3 362.499 2.146 10 0 FEAEHN CNc1cc(N2CCC[C@@H]2CN[C@@H](C)C(=O)N(C(C)C)C(C)C)ncn1 ZINC000174288960 327317248 /nfs/dbraw/zinc/31/72/48/327317248.db2.gz WWRCLUKERUYGIT-JKSUJKDBSA-N 0 3 362.522 2.111 10 0 FEAEHN O=C(COCC(F)(F)F)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000174853728 327355278 /nfs/dbraw/zinc/35/52/78/327355278.db2.gz WFDQEOJJWUFHDM-INIZCTEOSA-N 0 3 374.403 2.127 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CNC[C@]1(C)CCCC[C@H]1O ZINC000174938882 327362302 /nfs/dbraw/zinc/36/23/02/327362302.db2.gz RXIJBAAKTXKRKQ-XLIONFOSSA-N 0 3 364.534 2.411 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc(C(=O)N2CCCC2)n1 ZINC000175021408 327368599 /nfs/dbraw/zinc/36/85/99/327368599.db2.gz CIUMQRBCYHHPLM-JKSUJKDBSA-N 0 3 356.470 2.016 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CCO1 ZINC000176093627 327433754 /nfs/dbraw/zinc/43/37/54/327433754.db2.gz CPNLGVCXUXQMRY-MRXNPFEDSA-N 0 3 356.426 2.017 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)N3CCc4ccccc43)CC2)nc1 ZINC000176668599 327469179 /nfs/dbraw/zinc/46/91/79/327469179.db2.gz WMUGUXPDGMBGIM-UHFFFAOYSA-N 0 3 365.481 2.448 10 0 FEAEHN CN(C)CCN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000176804542 327476770 /nfs/dbraw/zinc/47/67/70/327476770.db2.gz RSYSSGPWHJIAMZ-MRXNPFEDSA-N 0 3 359.495 2.109 10 0 FEAEHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)N[C@@H]1CCCn2ncnc21 ZINC000177356220 327516288 /nfs/dbraw/zinc/51/62/88/327516288.db2.gz NNDKYKAWKFBTJA-SJORKVTESA-N 0 3 354.458 2.249 10 0 FEAEHN NC1(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)CCOCC1 ZINC000261880002 328826665 /nfs/dbraw/zinc/82/66/65/328826665.db2.gz PAJIJTITBHHSIP-MRXNPFEDSA-N 0 3 351.878 2.101 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(CN(Cc2cccnc2)c2ccccc2)n1 ZINC000263177698 328922537 /nfs/dbraw/zinc/92/25/37/328922537.db2.gz GIUBSFYVYXDLPD-GOSISDBHSA-N 0 3 364.453 2.248 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2cccc(-c3noc(C4CC4)n3)c2)n1 ZINC000263219955 328926216 /nfs/dbraw/zinc/92/62/16/328926216.db2.gz LSELRBZIWAXTBN-CQSZACIVSA-N 0 3 352.398 2.240 10 0 FEAEHN COc1ccc([C@H](C)N[C@@H]2CCc3ncnn3C2)cc1Cn1cccn1 ZINC000180593816 518160848 /nfs/dbraw/zinc/16/08/48/518160848.db2.gz ZFSHFHJYBGNZLG-WMLDXEAASA-N 0 3 352.442 2.197 10 0 FEAEHN CC[C@@H]1CCCCN1CCNC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000155331828 545513001 /nfs/dbraw/zinc/51/30/01/545513001.db2.gz TVQCJUCHDFNVDW-QGZVFWFLSA-N 0 3 360.506 2.327 10 0 FEAEHN CCC[C@@H](C(=O)N1CCC[C@@H](C2N=NC(=S)N2C2CC2)C1)N(C)C ZINC000155434833 545525962 /nfs/dbraw/zinc/52/59/62/545525962.db2.gz LIDAJCAFQYSXQR-OCCSQVGLSA-N 0 3 351.520 2.338 10 0 FEAEHN C[C@H]1CC[C@@H](C(=O)Nc2ccc(NC(=O)NC3CCN(C)CC3)cc2)O1 ZINC000155627408 545551472 /nfs/dbraw/zinc/55/14/72/545551472.db2.gz LZUAZNGKJVHPBM-GUYCJALGSA-N 0 3 360.458 2.408 10 0 FEAEHN CCC[C@@H](C(=O)NC[C@@H](O)COc1ccccc1Br)N(C)C ZINC000157774127 545780550 /nfs/dbraw/zinc/78/05/50/545780550.db2.gz JDESFKLAQVTFHE-OCCSQVGLSA-N 0 3 373.291 2.035 10 0 FEAEHN C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CN(C)CCO2)CCN1Cc1ccccc1 ZINC000159153032 545926353 /nfs/dbraw/zinc/92/63/53/545926353.db2.gz DGYZUIJRLLTWLE-MISYRCLQSA-N 0 3 374.529 2.012 10 0 FEAEHN C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CN(C)CCO2)CCN1Cc1ccccc1 ZINC000159153284 545926492 /nfs/dbraw/zinc/92/64/92/545926492.db2.gz DGYZUIJRLLTWLE-YZGWKJHDSA-N 0 3 374.529 2.012 10 0 FEAEHN CN(C(=O)C[C@@H]1CSCCN1)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000170681313 546170400 /nfs/dbraw/zinc/17/04/00/546170400.db2.gz VIJPIRGUFSRUDJ-WBVHZDCISA-N 0 3 360.458 2.259 10 0 FEAEHN C[C@@H](O)CN1CCN(Cc2ccc(I)cc2)C[C@@H]1C ZINC000173676240 546285684 /nfs/dbraw/zinc/28/56/84/546285684.db2.gz GIPAHVLTKKBWTI-QWHCGFSZSA-N 0 3 374.266 2.178 10 0 FEAEHN CNc1cc(N2CCC[C@@H]2CNCc2cnc3c(C)cccn23)ncn1 ZINC000174361083 546295676 /nfs/dbraw/zinc/29/56/76/546295676.db2.gz NXZQJKKZJUZZPA-OAHLLOKOSA-N 0 3 351.458 2.233 10 0 FEAEHN CC[C@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)Oc1ccccc1Cl ZINC000176001405 546388777 /nfs/dbraw/zinc/38/87/77/546388777.db2.gz AWTJTMGUGVLTRK-HUUCEWRRSA-N 0 3 369.893 2.469 10 0 FEAEHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176607426 546466685 /nfs/dbraw/zinc/46/66/85/546466685.db2.gz FYGJMKAPOAOPAE-INIZCTEOSA-N 0 3 360.437 2.026 10 0 FEAEHN CCCCN(C)C(=O)C1CCN(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)CC1 ZINC000176851055 546496572 /nfs/dbraw/zinc/49/65/72/546496572.db2.gz NZVWLBWKXSBPGV-WMZOPIPTSA-N 0 3 366.550 2.395 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccccc1OC(F)F ZINC000176898371 546502737 /nfs/dbraw/zinc/50/27/37/546502737.db2.gz JYLQGVCTUCLLRY-GFCCVEGCSA-N 0 3 355.385 2.169 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000176894810 546502992 /nfs/dbraw/zinc/50/29/92/546502992.db2.gz SZMZSBOTVJFWDE-AWEZNQCLSA-N 0 3 368.275 2.330 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1cc(Cl)ccc1N(C)C ZINC000176973728 546516943 /nfs/dbraw/zinc/51/69/43/546516943.db2.gz SJZOVLROERXGOI-CQSZACIVSA-N 0 3 368.909 2.437 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000177034388 546527406 /nfs/dbraw/zinc/52/74/06/546527406.db2.gz XRFKFSUXSVPEOU-VQIMIIECSA-N 0 3 363.477 2.142 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000177035058 546529399 /nfs/dbraw/zinc/52/93/99/546529399.db2.gz COPJWTYGCGSJBF-CJNGLKHVSA-N 0 3 351.878 2.401 10 0 FEAEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)Nc1ccn(C)n1 ZINC000177061385 546536977 /nfs/dbraw/zinc/53/69/77/546536977.db2.gz MBYDLVVKWXASIL-GOSISDBHSA-N 0 3 371.485 2.329 10 0 FEAEHN Cc1cc(=O)oc2cc(OCCN3C[C@H](C)[C@H](N4CCOCC4)C3)ccc12 ZINC000177251214 546579801 /nfs/dbraw/zinc/57/98/01/546579801.db2.gz ISVHLRNZFDIMQG-QFBILLFUSA-N 0 3 372.465 2.133 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000177337932 546597125 /nfs/dbraw/zinc/59/71/25/546597125.db2.gz YRPRHPHJXHERSD-PMACEKPBSA-N 0 3 374.529 2.186 10 0 FEAEHN Cc1nc(-c2cccc(NC(=O)C(=O)N3CCN4CCC[C@@H]4C3)c2)cs1 ZINC000177681644 546666692 /nfs/dbraw/zinc/66/66/92/546666692.db2.gz ZKOVZAISGBUJHV-MRXNPFEDSA-N 0 3 370.478 2.364 10 0 FEAEHN O=C(CCN1CCN2CCCC[C@@H]2C1)Nc1ccccc1C(=O)NC1CC1 ZINC000177754362 546680419 /nfs/dbraw/zinc/68/04/19/546680419.db2.gz NEJKLDBRCRLPOY-QGZVFWFLSA-N 0 3 370.497 2.078 10 0 FEAEHN C[C@@H](NC(=O)CN1CCN2CCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000178622712 546822173 /nfs/dbraw/zinc/82/21/73/546822173.db2.gz WWCLYOPFCQGLBW-CZUORRHYSA-N 0 3 366.303 2.406 10 0 FEAEHN CC(C)(NC[C@H](O)CN1C(=O)c2ccccc2C1=O)c1cccc(F)c1 ZINC000179564531 546978273 /nfs/dbraw/zinc/97/82/73/546978273.db2.gz MZJFTCFUZYHRAY-HNNXBMFYSA-N 0 3 356.397 2.308 10 0 FEAEHN O=C(c1ccc(CN2CCC(CO)CC2)cc1)N1CCN2CCCC[C@H]2C1 ZINC000179761722 547009956 /nfs/dbraw/zinc/00/99/56/547009956.db2.gz NLTWYCCPCFHBPM-NRFANRHFSA-N 0 3 371.525 2.201 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)C1 ZINC000179764265 547010723 /nfs/dbraw/zinc/01/07/23/547010723.db2.gz YGIJEJPEJGFPSC-OAHLLOKOSA-N 0 3 358.446 2.408 10 0 FEAEHN C[C@H](CC(=O)Nc1cccc(Br)c1)NC[C@H]1CN(C)CCO1 ZINC000180492468 547119045 /nfs/dbraw/zinc/11/90/45/547119045.db2.gz YIVISTNVGVCZQZ-DOMZBBRYSA-N 0 3 370.291 2.086 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cn(-c2cccc(Cl)c2F)nn1 ZINC000180535789 547125988 /nfs/dbraw/zinc/12/59/88/547125988.db2.gz UEEJMJSJOJNMLJ-VXGBXAGGSA-N 0 3 363.824 2.369 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000181280817 547285207 /nfs/dbraw/zinc/28/52/07/547285207.db2.gz SFECLWYVYQMXIF-XJKSGUPXSA-N 0 3 359.392 2.216 10 0 FEAEHN COC(=O)c1ccc(F)c(CN(C)C2CCN(CCn3cccn3)CC2)c1 ZINC000181925924 547406573 /nfs/dbraw/zinc/40/65/73/547406573.db2.gz CWSDCXZRYJMORO-UHFFFAOYSA-N 0 3 374.460 2.405 10 0 FEAEHN COc1ccccc1C[C@@H](C)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182356490 547478304 /nfs/dbraw/zinc/47/83/04/547478304.db2.gz AFZQLZMGVCHJLJ-PBHICJAKSA-N 0 3 356.470 2.453 10 0 FEAEHN O=C(Nc1ccccc1)c1nnc(CN2CCN3CCCC[C@@H]3C2)s1 ZINC000182620396 547523978 /nfs/dbraw/zinc/52/39/78/547523978.db2.gz PAKIMBZDDAOJGU-OAHLLOKOSA-N 0 3 357.483 2.461 10 0 FEAEHN Cn1cc(S(=O)(=O)NCCN[C@H]2c3ccccc3CCC2(C)C)cn1 ZINC000183207271 547620813 /nfs/dbraw/zinc/62/08/13/547620813.db2.gz MESASNBKPWTTIN-KRWDZBQOSA-N 0 3 362.499 2.002 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccccc1CN1CCNC1=O ZINC000184009181 547754300 /nfs/dbraw/zinc/75/43/00/547754300.db2.gz JFWWBXMWZGOSRN-INIZCTEOSA-N 0 3 359.474 2.160 10 0 FEAEHN CC(=O)N[C@H]1CCCN(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000184562997 547845982 /nfs/dbraw/zinc/84/59/82/547845982.db2.gz FKZCYHFQEWUSKV-PMACEKPBSA-N 0 3 374.529 2.453 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)N[C@@H](CC(C)C)CN(C)C)C12CCOCC2 ZINC000185813691 548039678 /nfs/dbraw/zinc/03/96/78/548039678.db2.gz YRFDRVODMGLLJG-YESZJQIVSA-N 0 3 355.523 2.236 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC000188540790 548281484 /nfs/dbraw/zinc/28/14/84/548281484.db2.gz RYSFDGDXDBKYSX-RTBURBONSA-N 0 3 372.513 2.222 10 0 FEAEHN Cc1cncc(CNC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190731815 548333532 /nfs/dbraw/zinc/33/35/32/548333532.db2.gz NCBREVVVUVNFST-GOSISDBHSA-N 0 3 353.470 2.449 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NCc2cccc(CN3CCCC3=O)c2)C1 ZINC000194144096 548441015 /nfs/dbraw/zinc/44/10/15/548441015.db2.gz DCFBPUQXCRNHGA-GOSISDBHSA-N 0 3 358.486 2.093 10 0 FEAEHN O=C(C1CCN(C2CC2)CC1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000194829851 548537547 /nfs/dbraw/zinc/53/75/47/548537547.db2.gz KRYXJSZAIIOCIT-YJBOKZPZSA-N 0 3 350.409 2.474 10 0 FEAEHN CN(C)C[C@@H](NC(=O)Nc1ccc(N2CCOCC2)cn1)c1ccccc1 ZINC000194890410 548545527 /nfs/dbraw/zinc/54/55/27/548545527.db2.gz PFTFGXHDEDMSOH-GOSISDBHSA-N 0 3 369.469 2.343 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(CC(=O)NCc2ccccc2)C1 ZINC000195276839 548609603 /nfs/dbraw/zinc/60/96/03/548609603.db2.gz ZUTVGORXJPICEZ-FQEVSTJZSA-N 0 3 352.482 2.152 10 0 FEAEHN O=C(COc1ccc(Br)cc1F)N1CCN2CCC[C@@H]2C1 ZINC000195310929 548618674 /nfs/dbraw/zinc/61/86/74/548618674.db2.gz XYCSJCGAJSVINR-GFCCVEGCSA-N 0 3 357.223 2.274 10 0 FEAEHN CCCCN1C(=O)c2ccc(C(=O)N3CCN4CCC[C@@H]4C3)cc2C1=O ZINC000195309637 548619792 /nfs/dbraw/zinc/61/97/92/548619792.db2.gz MCMWFEKJTOIJTK-OAHLLOKOSA-N 0 3 355.438 2.003 10 0 FEAEHN Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCN4CCC[C@@H]4C3)C2)cc1 ZINC000195330547 548625701 /nfs/dbraw/zinc/62/57/01/548625701.db2.gz OUBMCMDPGVCWGT-RBUKOAKNSA-N 0 3 355.482 2.154 10 0 FEAEHN C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC(c2ccn[nH]2)CC1 ZINC000195506473 548651632 /nfs/dbraw/zinc/65/16/32/548651632.db2.gz STOPLUCTSCXAPW-CYBMUJFWSA-N 0 3 356.426 2.388 10 0 FEAEHN CCCC(=O)N[C@H]1CCCN(C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)C1 ZINC000245202248 548900904 /nfs/dbraw/zinc/90/09/04/548900904.db2.gz YENKCSGOZAWFRR-ZWKOTPCHSA-N 0 3 372.513 2.395 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000245414818 548912169 /nfs/dbraw/zinc/91/21/69/548912169.db2.gz FBBNYBARILWRJY-ZBFHGGJFSA-N 0 3 367.515 2.277 10 0 FEAEHN CCN1CCC[C@H]1CN(C)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000245478498 548931394 /nfs/dbraw/zinc/93/13/94/548931394.db2.gz VLLHMHLEMBTYLF-LSDHHAIUSA-N 0 3 354.292 2.392 10 0 FEAEHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1C[C@H]1C(=O)OC ZINC000245607032 548956247 /nfs/dbraw/zinc/95/62/47/548956247.db2.gz KFVCQXLEKWFXHY-BPQIPLTHSA-N 0 3 360.454 2.014 10 0 FEAEHN CCn1cnnc1[C@@H]1CCCN(C[C@@H](O)COc2cccc3[nH]ccc32)C1 ZINC000245763413 548990980 /nfs/dbraw/zinc/99/09/80/548990980.db2.gz IMBQFYFJTUUDCG-HZPDHXFCSA-N 0 3 369.469 2.399 10 0 FEAEHN CCOc1c(OC)cc(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1OC ZINC000245790356 548994242 /nfs/dbraw/zinc/99/42/42/548994242.db2.gz WAZOMRSZNDHNAX-RDJZCZTQSA-N 0 3 364.486 2.255 10 0 FEAEHN CCOc1ccc([C@@H](C)NC(=O)CN2CCN3CCC[C@H]3C2)cc1OC ZINC000245922703 549019928 /nfs/dbraw/zinc/01/99/28/549019928.db2.gz MRDAHJWKFJOFGC-WBVHZDCISA-N 0 3 361.486 2.051 10 0 FEAEHN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N3CC[C@@H](N(C)C)C3)c2C1 ZINC000246020131 549037417 /nfs/dbraw/zinc/03/74/17/549037417.db2.gz OJUQGTNCFWYAIE-NVXWUHKLSA-N 0 3 372.513 2.148 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000246195018 549073544 /nfs/dbraw/zinc/07/35/44/549073544.db2.gz POWXJMOZUVWJHH-KBPBESRZSA-N 0 3 352.429 2.327 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](N[C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000246208108 549077911 /nfs/dbraw/zinc/07/79/11/549077911.db2.gz JWZZIKINUBRAFX-KCPJHIHWSA-N 0 3 354.292 2.294 10 0 FEAEHN Cc1cc(C)cc(OC[C@@H](O)CN(C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000246217461 549082078 /nfs/dbraw/zinc/08/20/78/549082078.db2.gz AXEXIFSTZNCERQ-OALUTQOASA-N 0 3 370.497 2.434 10 0 FEAEHN COc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000246301154 549100374 /nfs/dbraw/zinc/10/03/74/549100374.db2.gz DBTVPOYADJGTSD-SMDDNHRTSA-N 0 3 353.850 2.132 10 0 FEAEHN COc1cccc(COC[C@H](O)CN2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000246305643 549100865 /nfs/dbraw/zinc/10/08/65/549100865.db2.gz JLGGUQLNNVYLFY-RBUKOAKNSA-N 0 3 359.470 2.415 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(OC(F)F)c(F)c2)C1 ZINC000246359239 549113895 /nfs/dbraw/zinc/11/38/95/549113895.db2.gz IGQQUXCIWUIQGH-GXFFZTMASA-N 0 3 373.375 2.211 10 0 FEAEHN C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCn3ncnc32)CN1Cc1ccccc1 ZINC000246508235 549149246 /nfs/dbraw/zinc/14/92/46/549149246.db2.gz JNMLLBLYFFFWJW-OIISXLGYSA-N 0 3 354.458 2.075 10 0 FEAEHN COc1ccccc1COC[C@@H](O)CN1CC[C@@H](Oc2cccnc2)C1 ZINC000246853956 549228716 /nfs/dbraw/zinc/22/87/16/549228716.db2.gz UBPFANRFBRHJTG-PKOBYXMFSA-N 0 3 358.438 2.121 10 0 FEAEHN COCCN1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C[C@H]1C ZINC000247185476 549296386 /nfs/dbraw/zinc/29/63/86/549296386.db2.gz RZKAKYWYWNORFU-UYAOXDASSA-N 0 3 374.529 2.186 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)CCO1 ZINC000247207031 549298727 /nfs/dbraw/zinc/29/87/27/549298727.db2.gz NFXJVCPVESYAMU-SNPRPXQTSA-N 0 3 372.387 2.478 10 0 FEAEHN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000247373245 549325572 /nfs/dbraw/zinc/32/55/72/549325572.db2.gz FJZBIKFGAGBJSJ-QAPCUYQASA-N 0 3 358.486 2.205 10 0 FEAEHN Cc1cccc(N2CCN(C(=O)CN3CC[C@@]4(O)CCCC[C@H]4C3)CC2)c1 ZINC000248170654 549414771 /nfs/dbraw/zinc/41/47/71/549414771.db2.gz USLIKSMGWDXEEU-UGKGYDQZSA-N 0 3 371.525 2.271 10 0 FEAEHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)N[C@H]1COc2ccccc21 ZINC000248453017 549441339 /nfs/dbraw/zinc/44/13/39/549441339.db2.gz QELFXGGSGFYCIU-MJGOQNOKSA-N 0 3 367.449 2.186 10 0 FEAEHN Cc1noc(-c2ccccc2)c1NC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000248609942 549466666 /nfs/dbraw/zinc/46/66/66/549466666.db2.gz WWPWEKPOEMZKNZ-CJNGLKHVSA-N 0 3 370.453 2.433 10 0 FEAEHN CCCCOC[C@H](O)CN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000248657326 549478456 /nfs/dbraw/zinc/47/84/56/549478456.db2.gz SIHXFLOYHCKGND-IAGOWNOFSA-N 0 3 353.438 2.199 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc(N2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000248752967 549495475 /nfs/dbraw/zinc/49/54/75/549495475.db2.gz HDZMSPZCRGFNAC-NTDBWNAOSA-N 0 3 372.513 2.394 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249109586 549552822 /nfs/dbraw/zinc/55/28/22/549552822.db2.gz MICDYGKWXVPWOO-VNHYZAJKSA-N 0 3 351.413 2.254 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(OCCF)c1 ZINC000249173535 549564188 /nfs/dbraw/zinc/56/41/88/549564188.db2.gz LQVNBFFKRKWKHO-CVEARBPZSA-N 0 3 363.433 2.059 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc2ncsc2c1 ZINC000249255314 549573263 /nfs/dbraw/zinc/57/32/63/549573263.db2.gz YJMHATVDSCYGMD-KBPBESRZSA-N 0 3 358.467 2.320 10 0 FEAEHN O=C1[C@@H](N2CCN3CCC[C@H]3C2)CCN1c1cccc(Br)c1 ZINC000249316239 549579948 /nfs/dbraw/zinc/57/99/48/549579948.db2.gz PMWXFFVDQQUMHO-HOTGVXAUSA-N 0 3 364.287 2.334 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)C1 ZINC000249751827 549624603 /nfs/dbraw/zinc/62/46/03/549624603.db2.gz DLCOWODCIHQOLA-SJLPKXTDSA-N 0 3 364.534 2.151 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NC[C@H](C)N2CCc3sccc3C2)C1 ZINC000249773033 549628084 /nfs/dbraw/zinc/62/80/84/549628084.db2.gz UHLOZQVDYFIBNY-GOEBONIOSA-N 0 3 350.532 2.278 10 0 FEAEHN CCN1CCC[C@H](NC(=O)[C@](C)(N)c2ccc(Br)cc2)C1 ZINC000261635188 549737532 /nfs/dbraw/zinc/73/75/32/549737532.db2.gz CBRUIKPMLHPFOB-GOEBONIOSA-N 0 3 354.292 2.224 10 0 FEAEHN N[C@@H](C(=O)NCc1ccc(OCc2ccccn2)cc1)C1CCOCC1 ZINC000261831698 549760996 /nfs/dbraw/zinc/76/09/96/549760996.db2.gz QBBRXVGLHHJSJN-LJQANCHMSA-N 0 3 355.438 2.031 10 0 FEAEHN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)[C@H](N)C2CCOCC2)cc1 ZINC000261842058 549761454 /nfs/dbraw/zinc/76/14/54/549761454.db2.gz QRQAZINWQXNDOA-WOJBJXKFSA-N 0 3 360.498 2.299 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)[C@H]1NCCO[C@@H]1C)c1ccccc1Cl ZINC000262348404 549813117 /nfs/dbraw/zinc/81/31/17/549813117.db2.gz UIBRHZRWCIUSJA-COXVUDFISA-N 0 3 353.894 2.216 10 0 FEAEHN CCC[C@@H](N)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1CCCCC1 ZINC000262421849 549818849 /nfs/dbraw/zinc/81/88/49/549818849.db2.gz FRHQWJLIQMVRCK-CQSZACIVSA-N 0 3 363.458 2.396 10 0 FEAEHN N[C@H](C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000262661963 549836435 /nfs/dbraw/zinc/83/64/35/549836435.db2.gz GPLMMPUIFUFCPF-SFTDATJTSA-N 0 3 367.493 2.248 10 0 FEAEHN CCCOc1ccc(C(=O)CCc2nc([C@H]3CNCCN3C)no2)cc1 ZINC000263202391 549885729 /nfs/dbraw/zinc/88/57/29/549885729.db2.gz JGDDLQOELHTCFL-MRXNPFEDSA-N 0 3 358.442 2.250 10 0 FEAEHN CN1CCNC[C@H]1c1noc(/C=C/c2cc(Cl)c3c(c2)OCCO3)n1 ZINC000263311383 549894289 /nfs/dbraw/zinc/89/42/89/549894289.db2.gz YTJSVUVALVUZKZ-IBUXWKBASA-N 0 3 362.817 2.241 10 0 FEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@H]2C[C@@H](C)CN(Cc3ccccc3)C2)C1 ZINC000263468659 549903570 /nfs/dbraw/zinc/90/35/70/549903570.db2.gz DCKOIGYKTAVWDG-OTBHMBEGSA-N 0 3 359.514 2.424 10 0 FEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@H]2C[C@@H](C)CN(Cc3ccccc3)C2)C1 ZINC000263468659 549903573 /nfs/dbraw/zinc/90/35/73/549903573.db2.gz DCKOIGYKTAVWDG-OTBHMBEGSA-N 0 3 359.514 2.424 10 0 FEAEHN C[C@H](N)C(=O)Nc1ccc(I)cc1Br ZINC000300884546 553617621 /nfs/dbraw/zinc/61/76/21/553617621.db2.gz ARRHGGFOMCNGIB-YFKPBYRVSA-N 0 3 369.000 2.339 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccc(SC(F)F)nc1 ZINC000135997900 672137018 /nfs/dbraw/zinc/13/70/18/672137018.db2.gz FXGFIXUOVGFWJT-GFCCVEGCSA-N 0 3 374.457 2.427 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000155402693 672232576 /nfs/dbraw/zinc/23/25/76/672232576.db2.gz ZRKSTCRYCUNXLO-XHDPSFHLSA-N 0 3 355.841 2.137 10 0 FEAEHN O=C(NCC(F)(F)CO)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000193842702 672738123 /nfs/dbraw/zinc/73/81/23/672738123.db2.gz FVHHDSZFQNDQFY-CHWSQXEVSA-N 0 3 366.330 2.041 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000245388156 672817921 /nfs/dbraw/zinc/81/79/21/672817921.db2.gz BWJVCNWGDDPYOO-GJZGRUSLSA-N 0 3 354.495 2.027 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000246386132 672836018 /nfs/dbraw/zinc/83/60/18/672836018.db2.gz QUXYWVIUGWRVLR-LSDHHAIUSA-N 0 3 354.495 2.122 10 0 FEAEHN COC[C@]1(CNCc2cnn(C)c2C)CCCN1C(=O)OC(C)(C)C ZINC000310641082 673025032 /nfs/dbraw/zinc/02/50/32/673025032.db2.gz TWRDAXYZGKVGER-GOSISDBHSA-N 0 3 352.479 2.234 10 0 FEAEHN COc1ncc(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](OC)C2)cc1Cl ZINC000888076799 688544751 /nfs/dbraw/zinc/54/47/51/688544751.db2.gz FDOHQHVHENYCQT-YUELXQCFSA-N 0 3 353.850 2.115 10 0 FEAEHN C[C@@H](NC(=O)NC[C@@H](O)CN1CCCCC1)c1cccc(OC(F)F)c1 ZINC000049174760 540383554 /nfs/dbraw/zinc/38/35/54/540383554.db2.gz PBSBDMZDUNNQCZ-UKRRQHHQSA-N 0 3 371.428 2.495 10 0 FEAEHN CN(C[C@H]1CCN(C)C1)S(=O)(=O)c1ccc(Br)s1 ZINC000071193015 541765650 /nfs/dbraw/zinc/76/56/50/541765650.db2.gz LCGCEHHAWRZQQT-VIFPVBQESA-N 0 3 353.307 2.083 10 0 FEAEHN CCOC(=O)c1cnn2cc(CN3CCN(C(C)C)[C@@H](CC)C3)cnc12 ZINC000072169570 541794872 /nfs/dbraw/zinc/79/48/72/541794872.db2.gz IWPJCCVCHQYQDF-INIZCTEOSA-N 0 3 359.474 2.211 10 0 FEAEHN CC(C)NCCS(=O)(=O)Nc1ccccc1I ZINC000049642584 205174563 /nfs/dbraw/zinc/17/45/63/205174563.db2.gz APYBNGNKIIJTQS-UHFFFAOYSA-N 0 3 368.240 2.031 10 0 FEAEHN O[C@@]1(c2ccccc2)CCN(c2ncnc3sc4c(c32)CCNC4)C1 ZINC000065407148 205348332 /nfs/dbraw/zinc/34/83/32/205348332.db2.gz QJTRVMVDNJCOFH-IBGZPJMESA-N 0 3 352.463 2.435 10 0 FEAEHN CN(C)c1cnnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c1 ZINC000224309425 132282878 /nfs/dbraw/zinc/28/28/78/132282878.db2.gz KIEXNFYXTNSYHK-UHFFFAOYSA-N 0 3 363.824 2.298 10 0 FEAEHN CN(C)c1cnnc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1 ZINC000224308301 132283128 /nfs/dbraw/zinc/28/31/28/132283128.db2.gz MJLYTCJZGRKKKE-UHFFFAOYSA-N 0 3 363.824 2.298 10 0 FEAEHN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000101985253 543053363 /nfs/dbraw/zinc/05/33/63/543053363.db2.gz BLKUSWSSVWJDDG-MOPGFXCFSA-N 0 3 374.529 2.250 10 0 FEAEHN CCCC(=O)N[C@H]1CCCN(C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000102005546 543054743 /nfs/dbraw/zinc/05/47/43/543054743.db2.gz SRKLKSSKHVHNPL-IRXDYDNUSA-N 0 3 352.523 2.197 10 0 FEAEHN CCn1cnnc1[C@@H]1CCCN(Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000103477192 543110390 /nfs/dbraw/zinc/11/03/90/543110390.db2.gz QZNWEQHRVNHBOY-CYBMUJFWSA-N 0 3 372.860 2.339 10 0 FEAEHN CN(C)C[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1Cl)c1ccccc1 ZINC000103739207 543116650 /nfs/dbraw/zinc/11/66/50/543116650.db2.gz WQMCCNHXXRUFKX-QGZVFWFLSA-N 0 3 370.844 2.348 10 0 FEAEHN C[C@H](CNC(=O)N1CCN2CCCC[C@@H]2C1)N1CCc2sccc2C1 ZINC000105150324 543162378 /nfs/dbraw/zinc/16/23/78/543162378.db2.gz AQZBYDBGMWBQHS-NVXWUHKLSA-N 0 3 362.543 2.374 10 0 FEAEHN CC[C@H]1CN(CCC(=O)NCc2ccccc2Cl)CCN1CCOC ZINC000106114575 543202052 /nfs/dbraw/zinc/20/20/52/543202052.db2.gz IZJLWDSFZJWVQO-KRWDZBQOSA-N 0 3 367.921 2.389 10 0 FEAEHN CCn1c(C)nnc1CN(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000106127180 543204373 /nfs/dbraw/zinc/20/43/73/543204373.db2.gz ZZEWODUMMULFTQ-FQEVSTJZSA-N 0 3 371.529 2.484 10 0 FEAEHN Cc1ccccc1CCNC(=O)[C@H](C)N1CCC[C@H](Cn2cncn2)C1 ZINC000106173188 543213086 /nfs/dbraw/zinc/21/30/86/543213086.db2.gz KJMOSMHGNWCETA-ROUUACIJSA-N 0 3 355.486 2.046 10 0 FEAEHN COCc1cccc(C(=O)N(C)C2CCN(CCn3cccn3)CC2)c1 ZINC000109292363 543320660 /nfs/dbraw/zinc/32/06/60/543320660.db2.gz AYPFCUDVPJIOMX-UHFFFAOYSA-N 0 3 356.470 2.266 10 0 FEAEHN COc1ccc2[nH]cc(C3CCN(C[C@@H](O)CN4CCCC4=O)CC3)c2c1 ZINC000111685045 543411783 /nfs/dbraw/zinc/41/17/83/543411783.db2.gz AKFVRQVEULYYJI-MRXNPFEDSA-N 0 3 371.481 2.339 10 0 FEAEHN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N[C@H]1CCc2ncnn2C1 ZINC000112550133 543451254 /nfs/dbraw/zinc/45/12/54/543451254.db2.gz RRHPBGIXIJGQQJ-NEPJUHHUSA-N 0 3 363.849 2.180 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@H](C)C(=O)Nc1cccc3ncccc31)CC2 ZINC000112551049 543451535 /nfs/dbraw/zinc/45/15/35/543451535.db2.gz VYCGVTOHQJRURA-ZIAGYGMSSA-N 0 3 364.453 2.320 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000113226730 543477502 /nfs/dbraw/zinc/47/75/02/543477502.db2.gz QBZDKFKELWDCJN-GDBMZVCRSA-N 0 3 358.438 2.116 10 0 FEAEHN COc1ccc(Cn2cc(C(=O)N3C[C@H]4CCCN4C[C@H]3C)cn2)cc1 ZINC000113232809 543478255 /nfs/dbraw/zinc/47/82/55/543478255.db2.gz WXTZHVRYJUFINZ-CRAIPNDOSA-N 0 3 354.454 2.249 10 0 FEAEHN CSc1cc(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)ccn1 ZINC000114414278 543514782 /nfs/dbraw/zinc/51/47/82/543514782.db2.gz OPWIRQFDTLZPSZ-UHFFFAOYSA-N 0 3 371.510 2.223 10 0 FEAEHN CCc1ccc(O)c(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)c1 ZINC000114539332 543522841 /nfs/dbraw/zinc/52/28/41/543522841.db2.gz JOIVXYCIVSTOIS-UHFFFAOYSA-N 0 3 368.481 2.374 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC000247472623 549339210 /nfs/dbraw/zinc/33/92/10/549339210.db2.gz VKQUCRKREHARRP-NZSAHSFTSA-N 0 3 357.498 2.384 10 0 FEAEHN C[C@@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)c1cccc(Br)c1 ZINC000117030921 543621914 /nfs/dbraw/zinc/62/19/14/543621914.db2.gz DTWROENSTHZKKM-DOMZBBRYSA-N 0 3 370.291 2.482 10 0 FEAEHN CC(C)COc1ccc(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)cn1 ZINC000117062361 543622679 /nfs/dbraw/zinc/62/26/79/543622679.db2.gz OTUVOPBBTDZDJW-MRXNPFEDSA-N 0 3 364.490 2.147 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NCCOc2ccccc2C(C)(C)C)CCO1 ZINC000117048075 543622705 /nfs/dbraw/zinc/62/27/05/543622705.db2.gz QWIWUWWBHFANOZ-MRXNPFEDSA-N 0 3 363.502 2.335 10 0 FEAEHN COc1cccc(CS(=O)(=O)C(C)C(=O)N[C@@H](C)c2ccccc2)n1 ZINC000122663507 543716176 /nfs/dbraw/zinc/71/61/76/543716176.db2.gz ZAUSZTOLZCOECO-KBPBESRZSA-N 0 3 362.451 2.271 10 0 FEAEHN CC(=O)N[C@@H]1CCCN(CCC(=O)Nc2cccc(Br)c2)C1 ZINC000123959567 543793415 /nfs/dbraw/zinc/79/34/15/543793415.db2.gz NKNHTTNFHNXOSB-OAHLLOKOSA-N 0 3 368.275 2.378 10 0 FEAEHN CCC[C@H](C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1)N(C)C ZINC000129961291 544133434 /nfs/dbraw/zinc/13/34/34/544133434.db2.gz MDBGCBVQELNROM-DNVCBOLYSA-N 0 3 364.509 2.485 10 0 FEAEHN CN(C)C[C@@](C)(O)CNC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000131370590 544187997 /nfs/dbraw/zinc/18/79/97/544187997.db2.gz ARRBHFNURBVUTL-LPHOPBHVSA-N 0 3 361.486 2.435 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N(C)Cc2ccccc2N2CCOCC2)C1 ZINC000132193156 544222441 /nfs/dbraw/zinc/22/24/41/544222441.db2.gz OLDJTTWQUJIRRL-MJGOQNOKSA-N 0 3 374.529 2.393 10 0 FEAEHN COC(=O)c1ccccc1-c1ccc(CN[C@H]2CCc3ncnn3C2)o1 ZINC000133867682 544286278 /nfs/dbraw/zinc/28/62/78/544286278.db2.gz WBSMVTVZCMVHDO-ZDUSSCGKSA-N 0 3 352.394 2.429 10 0 FEAEHN CCC[C@H](C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1)N(C)C ZINC000134432099 544307855 /nfs/dbraw/zinc/30/78/55/544307855.db2.gz YMXCKHSUYDDTFR-MRXNPFEDSA-N 0 3 351.878 2.355 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(SC(F)F)nc2)C1 ZINC000136635248 544376064 /nfs/dbraw/zinc/37/60/64/544376064.db2.gz IVZUZTBQRRBFQP-PWSUYJOCSA-N 0 3 372.441 2.180 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000150797345 544472407 /nfs/dbraw/zinc/47/24/07/544472407.db2.gz UBFLBCNEUXJMTN-RISCZKNCSA-N 0 3 373.375 2.369 10 0 FEAEHN CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000150804038 544473846 /nfs/dbraw/zinc/47/38/46/544473846.db2.gz MQVOQNZEUYZWKL-SWLSCSKDSA-N 0 3 351.422 2.008 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)NCCC3=CCCC3)CC2)nc1 ZINC000152215808 544627449 /nfs/dbraw/zinc/62/74/49/544627449.db2.gz GOYZMFSTPWUIEK-UHFFFAOYSA-N 0 3 357.502 2.475 10 0 FEAEHN C[C@H](O)CN1CCN(Cc2cccc(C(=O)NCc3ccco3)c2)C[C@@H]1C ZINC000247534733 549351115 /nfs/dbraw/zinc/35/11/15/549351115.db2.gz CJBBGLUIUVXMOX-IRXDYDNUSA-N 0 3 371.481 2.097 10 0 FEAEHN CC[C@H]1CN(C[C@H](O)COc2cc(C)cc(C)c2)CCN1CCOC ZINC000155097717 544988367 /nfs/dbraw/zinc/98/83/67/544988367.db2.gz NTDMQJDIJFELMR-OALUTQOASA-N 0 3 350.503 2.086 10 0 FEAEHN CN(C)C[C@@H]1CN(CC(=O)N(Cc2ccco2)c2ccccc2)CCO1 ZINC000155264308 545006924 /nfs/dbraw/zinc/00/69/24/545006924.db2.gz UOGFOBWPHGEUCZ-LJQANCHMSA-N 0 3 357.454 2.075 10 0 FEAEHN CCOCCN1CCN(C[C@@H](O)COc2ccccc2C)C[C@@H]1CC ZINC000247546431 549353674 /nfs/dbraw/zinc/35/36/74/549353674.db2.gz DMTASUGDJRUSBC-RBUKOAKNSA-N 0 3 350.503 2.167 10 0 FEAEHN CC(C)c1nnc2n1C[C@@H](N[C@H](C)c1ccc(-n3cnnn3)cc1)CC2 ZINC000180499138 327688644 /nfs/dbraw/zinc/68/86/44/327688644.db2.gz OCOUUKLOKNARAU-HIFRSBDPSA-N 0 3 352.446 2.043 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2-n2cccn2)CCO1 ZINC000181173189 327719030 /nfs/dbraw/zinc/71/90/30/327719030.db2.gz GBVUCAYFDZJATC-CYBMUJFWSA-N 0 3 363.849 2.320 10 0 FEAEHN CN(C)C[C@@H](NC(=O)c1ccnc(O[C@H]2CCOC2)c1)c1ccccc1 ZINC000182372623 327772587 /nfs/dbraw/zinc/77/25/87/327772587.db2.gz JWGYMXKWWGLOPT-ZWKOTPCHSA-N 0 3 355.438 2.282 10 0 FEAEHN CN(C(=O)C[C@@](C)(O)c1ccccc1)C1CCN(CCn2cccn2)CC1 ZINC000182413889 327774557 /nfs/dbraw/zinc/77/45/57/327774557.db2.gz FGMHIBLRBXPGSA-OAQYLSRUSA-N 0 3 370.497 2.104 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NCC2CCN(CC(F)(F)F)CC2)C1 ZINC000187717824 328041826 /nfs/dbraw/zinc/04/18/26/328041826.db2.gz QDGJPTDXDVPYGR-AWEZNQCLSA-N 0 3 350.429 2.044 10 0 FEAEHN CCn1cnnc1C1CCN(CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000189014862 328123603 /nfs/dbraw/zinc/12/36/03/328123603.db2.gz VQTDGVITQCTGHC-UHFFFAOYSA-N 0 3 367.497 2.452 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000190083080 328186707 /nfs/dbraw/zinc/18/67/07/328186707.db2.gz HSSFUDDZYQUCEH-DGCLKSJQSA-N 0 3 371.359 2.219 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1OC(F)(F)F ZINC000190083546 328186955 /nfs/dbraw/zinc/18/69/55/328186955.db2.gz LLFZXSLGNRYOAN-VXGBXAGGSA-N 0 3 371.359 2.219 10 0 FEAEHN CSCCc1ccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1 ZINC000190099524 328188061 /nfs/dbraw/zinc/18/80/61/328188061.db2.gz ICUZZFKLLUMFQM-WMLDXEAASA-N 0 3 361.511 2.226 10 0 FEAEHN CCc1nc2cc(NC(=O)C(=O)N3C[C@H]4CCCN4C[C@@H]3CC)ccc2o1 ZINC000190340134 328201237 /nfs/dbraw/zinc/20/12/37/328201237.db2.gz LYDZOQXGNZQASU-LSDHHAIUSA-N 0 3 370.453 2.414 10 0 FEAEHN CN1CCC[C@@H]1CNC(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000190397778 328205368 /nfs/dbraw/zinc/20/53/68/328205368.db2.gz TWUTYORXPQSBMJ-OAHLLOKOSA-N 0 3 350.894 2.092 10 0 FEAEHN CCN(C)C(=O)[C@H](C)NC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000190407528 328205950 /nfs/dbraw/zinc/20/59/50/328205950.db2.gz BJPMHPAVKJYPEE-FUHWJXTLSA-N 0 3 360.502 2.207 10 0 FEAEHN CCCCNC(=O)CN1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190516146 328213058 /nfs/dbraw/zinc/21/30/58/328213058.db2.gz LKFVBABXWXDDFC-INIZCTEOSA-N 0 3 355.523 2.031 10 0 FEAEHN Cc1cccnc1CNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190707969 328226437 /nfs/dbraw/zinc/22/64/37/328226437.db2.gz ZUDNYSCBOVVAQD-SFHVURJKSA-N 0 3 353.470 2.449 10 0 FEAEHN Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000191935132 328289547 /nfs/dbraw/zinc/28/95/47/328289547.db2.gz MRMNSLUAZHLOGC-MRXNPFEDSA-N 0 3 371.485 2.212 10 0 FEAEHN CN(CC(=O)OC(C)(C)C)C1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000191985983 328292077 /nfs/dbraw/zinc/29/20/77/328292077.db2.gz HARBJNMIIKHXFO-UHFFFAOYSA-N 0 3 361.486 2.023 10 0 FEAEHN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000192146558 328302577 /nfs/dbraw/zinc/30/25/77/328302577.db2.gz XQOLVWRBKPPODZ-MOPGFXCFSA-N 0 3 373.497 2.049 10 0 FEAEHN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000192146558 328302579 /nfs/dbraw/zinc/30/25/79/328302579.db2.gz XQOLVWRBKPPODZ-MOPGFXCFSA-N 0 3 373.497 2.049 10 0 FEAEHN CNC(=O)[C@H](NC(=O)NCC1CCN(Cc2cccs2)CC1)C(C)C ZINC000192663274 328331761 /nfs/dbraw/zinc/33/17/61/328331761.db2.gz BZXUGNWDOKWGLV-MRXNPFEDSA-N 0 3 366.531 2.030 10 0 FEAEHN CCCCN(C)S(=O)(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000192933165 328347694 /nfs/dbraw/zinc/34/76/94/328347694.db2.gz DNQNPQLAWMPHNN-OAHLLOKOSA-N 0 3 374.576 2.182 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000193631626 328386944 /nfs/dbraw/zinc/38/69/44/328386944.db2.gz CGHHMUKTANFDOU-CYBMUJFWSA-N 0 3 372.391 2.276 10 0 FEAEHN N[C@H](CNS(=O)(=O)c1ccccc1Br)c1ccccc1 ZINC000036297604 324488735 /nfs/dbraw/zinc/48/87/35/324488735.db2.gz JGRJGFALWBKXLG-CYBMUJFWSA-N 0 3 355.257 2.427 10 0 FEAEHN CC(=O)N[C@@H]1CCCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000079167185 325079801 /nfs/dbraw/zinc/07/98/01/325079801.db2.gz VGEJVBNIUZIZEV-HXUWFJFHSA-N 0 3 372.513 2.004 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC000081592182 325187964 /nfs/dbraw/zinc/18/79/64/325187964.db2.gz WHKBPZHMYUGFMI-OAHLLOKOSA-N 0 3 364.881 2.086 10 0 FEAEHN Cc1nc2n(n1)CCC[C@H]2NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000083741754 325224167 /nfs/dbraw/zinc/22/41/67/325224167.db2.gz MECINTMGLXSZLQ-QGZVFWFLSA-N 0 3 372.473 2.320 10 0 FEAEHN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000083750057 325225129 /nfs/dbraw/zinc/22/51/29/325225129.db2.gz JGXMINNYOXSLFD-KRWDZBQOSA-N 0 3 374.464 2.334 10 0 FEAEHN O=C(Nc1cc(Br)cc(C(F)(F)F)c1)[C@@H]1C[C@H](O)CN1 ZINC000088187991 325285535 /nfs/dbraw/zinc/28/55/35/325285535.db2.gz POJVPFRIFHKSMY-UWVGGRQHSA-N 0 3 353.138 2.129 10 0 FEAEHN Cc1ncc(CN2CCN(C(=O)N[C@@H](CC(C)C)CN(C)C)CC2)s1 ZINC000111826814 325738396 /nfs/dbraw/zinc/73/83/96/325738396.db2.gz JAXHQSIAPIVKNF-INIZCTEOSA-N 0 3 367.563 2.255 10 0 FEAEHN CCCC[C@H](N[C@@H]1CCc2nc(CC)nn2C1)C(=O)Nc1cc(C)on1 ZINC000112550863 325789918 /nfs/dbraw/zinc/78/99/18/325789918.db2.gz YHPKQCSGDYUERW-KGLIPLIRSA-N 0 3 360.462 2.239 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)NCCc1cccs1)CC2 ZINC000112551601 325791288 /nfs/dbraw/zinc/79/12/88/325791288.db2.gz PRBRFVYRMFNZQR-KBPBESRZSA-N 0 3 361.515 2.115 10 0 FEAEHN Cc1nc(CN2CCCN(C(=O)NC[C@@H](C)N(C)C3CC3)CC2)cs1 ZINC000116545925 326022983 /nfs/dbraw/zinc/02/29/83/326022983.db2.gz CUOCJYDTCBVZQC-CQSZACIVSA-N 0 3 365.547 2.152 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2ccc(COc3ccc(F)cc3)o2)CCO1 ZINC000116797639 326036747 /nfs/dbraw/zinc/03/67/47/326036747.db2.gz NCNAOFOZMCKILP-QGZVFWFLSA-N 0 3 362.401 2.400 10 0 FEAEHN CC[C@@H](O)CN1CCN(CCC(=O)Nc2ccccc2SC)CC1 ZINC000118857166 326108556 /nfs/dbraw/zinc/10/85/56/326108556.db2.gz KHVVEIOVCMRHOD-OAHLLOKOSA-N 0 3 351.516 2.126 10 0 FEAEHN CCC[C@@H](C(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1)N(C)C ZINC000119219161 326139086 /nfs/dbraw/zinc/13/90/86/326139086.db2.gz HBTXANAKASCZAQ-ZFWWWQNUSA-N 0 3 362.392 2.292 10 0 FEAEHN COc1ccc(CCNC(=O)NC[C@@H](O)CN2CCCCC2)c(Cl)c1 ZINC000119357712 326153249 /nfs/dbraw/zinc/15/32/49/326153249.db2.gz LAQQSZRXEWULFD-OAHLLOKOSA-N 0 3 369.893 2.037 10 0 FEAEHN CCC[C@H](C(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1)N(C)C ZINC000119412837 326158904 /nfs/dbraw/zinc/15/89/04/326158904.db2.gz CXJJRRXWUUTGOL-UKRRQHHQSA-N 0 3 362.392 2.292 10 0 FEAEHN O=S(=O)(NCC1CCN(C[C@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000119498698 326168906 /nfs/dbraw/zinc/16/89/06/326168906.db2.gz QMQGKANFRPAYRH-FQEVSTJZSA-N 0 3 374.506 2.411 10 0 FEAEHN C[C@@H](Sc1ccccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000119828605 326202933 /nfs/dbraw/zinc/20/29/33/326202933.db2.gz JDOHOUNTIIEBHB-QAPCUYQASA-N 0 3 371.506 2.098 10 0 FEAEHN C[C@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)c1cccc(F)c1 ZINC000119884019 326209209 /nfs/dbraw/zinc/20/92/09/326209209.db2.gz AQABNSGEWDFHCH-YWZLYKJASA-N 0 3 356.441 2.465 10 0 FEAEHN CC(C)N1CCO[C@@H](CN2CCN(Cc3cccc4[nH]ccc43)CC2)C1 ZINC000121071682 326311468 /nfs/dbraw/zinc/31/14/68/326311468.db2.gz JRKFTHNVVQXYTR-IBGZPJMESA-N 0 3 356.514 2.395 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000246049828 328585921 /nfs/dbraw/zinc/58/59/21/328585921.db2.gz XZJRWTBGRJVDHX-CORIIIEPSA-N 0 3 362.392 2.226 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cccc(Br)c1 ZINC000121812207 326369037 /nfs/dbraw/zinc/36/90/37/326369037.db2.gz AOUIGAQFTOJTHF-AWEZNQCLSA-N 0 3 370.291 2.480 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)CN(Cc2ccccc2)c2ccccc2)CCO1 ZINC000121871848 326372951 /nfs/dbraw/zinc/37/29/51/326372951.db2.gz FWERRXUIFNYVEX-NRFANRHFSA-N 0 3 367.493 2.482 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1cccc(OCCF)c1 ZINC000127808334 326513047 /nfs/dbraw/zinc/51/30/47/326513047.db2.gz ZVUQCTIBQWNRQT-OAHLLOKOSA-N 0 3 353.438 2.066 10 0 FEAEHN CN(CC1CCN(C)CC1)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000129677643 326544609 /nfs/dbraw/zinc/54/46/09/326544609.db2.gz LQIFLVVFTKCNOT-IEBWSBKVSA-N 0 3 361.461 2.145 10 0 FEAEHN O=C1CNC(=O)N1CCN[C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000134106628 326619858 /nfs/dbraw/zinc/61/98/58/326619858.db2.gz ZVZFNNXJKQNNDL-ZDUSSCGKSA-N 0 3 356.451 2.329 10 0 FEAEHN CN(C)C[C@@H]1CN(CCC(=O)Nc2ccccc2C(F)(F)F)CCO1 ZINC000137206193 326658904 /nfs/dbraw/zinc/65/89/04/326658904.db2.gz DDHQQZMZVCWZOF-CYBMUJFWSA-N 0 3 359.392 2.296 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000155214693 326781575 /nfs/dbraw/zinc/78/15/75/326781575.db2.gz PZQDRCHPOGDAEO-SNVBAGLBSA-N 0 3 374.666 2.204 10 0 FEAEHN O=C([C@@H]1CC(=O)Nc2ccccc21)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000158373554 326893819 /nfs/dbraw/zinc/89/38/19/326893819.db2.gz FYGVJSFZAJGFGB-FUHWJXTLSA-N 0 3 371.481 2.216 10 0 FEAEHN O=S(=O)([N-]CC[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1F ZINC000161909886 327012347 /nfs/dbraw/zinc/01/23/47/327012347.db2.gz KTFCVDRYOPQEKN-SNVBAGLBSA-N 0 3 365.268 2.256 10 0 FEAEHN COc1ccc([C@@H](CO)N(C)C(=O)N[C@H](CC(C)C)CN(C)C)cc1 ZINC000163950675 327061913 /nfs/dbraw/zinc/06/19/13/327061913.db2.gz UOMIQYMNYPAOOZ-SJLPKXTDSA-N 0 3 351.491 2.346 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000170694217 327094478 /nfs/dbraw/zinc/09/44/78/327094478.db2.gz HKCARZNJJCEHGP-IPMKNSEASA-N 0 3 361.486 2.053 10 0 FEAEHN COc1ccc(CNC(=O)N2CC[C@@H](N(C)C)C2)cc1Br ZINC000170836348 327101508 /nfs/dbraw/zinc/10/15/08/327101508.db2.gz FHZGWZFPHLNGLV-GFCCVEGCSA-N 0 3 356.264 2.303 10 0 FEAEHN Cc1nc(-c2cccc(NC(=O)C(=O)N3CC[C@H](N(C)C)C3)c2)cs1 ZINC000170844557 327102092 /nfs/dbraw/zinc/10/20/92/327102092.db2.gz OFDSIJDBWAHXAR-HNNXBMFYSA-N 0 3 358.467 2.220 10 0 FEAEHN Cc1nc(-c2ccc(NC(=O)C(=O)N3CC[C@H](N(C)C)C3)cc2)cs1 ZINC000170844418 327102148 /nfs/dbraw/zinc/10/21/48/327102148.db2.gz NGXJRUUCXMRKQF-HNNXBMFYSA-N 0 3 358.467 2.220 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000170844310 327102268 /nfs/dbraw/zinc/10/22/68/327102268.db2.gz WOURYWYUXAWNOR-OAHLLOKOSA-N 0 3 372.400 2.114 10 0 FEAEHN Cc1nc(C[C@@H]2CCCN(C(=O)NC[C@H](C)N3CCC[C@H](C)C3)C2)no1 ZINC000170892369 327105590 /nfs/dbraw/zinc/10/55/90/327105590.db2.gz MEZZMJMIRUYCPT-ZOBUZTSGSA-N 0 3 363.506 2.463 10 0 FEAEHN Cc1c(C(=O)N2CCN3CCC[C@H]3C2)nnn1-c1cccc2ncccc21 ZINC000170999041 327111416 /nfs/dbraw/zinc/11/14/16/327111416.db2.gz VWPOJCMKGKHNPB-HNNXBMFYSA-N 0 3 362.437 2.044 10 0 FEAEHN Cc1nc(C)n(C[C@@H]2CCCN(Cc3cnc4c(c3)c(C)nn4C)C2)n1 ZINC000171509455 327143304 /nfs/dbraw/zinc/14/33/04/327143304.db2.gz ZJTFJMAQTGFPPU-MRXNPFEDSA-N 0 3 353.474 2.397 10 0 FEAEHN O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)N1CCN2CCC[C@H]2C1 ZINC000171899293 327168319 /nfs/dbraw/zinc/16/83/19/327168319.db2.gz GEZFNMQPCTYLSO-IBGZPJMESA-N 0 3 370.497 2.302 10 0 FEAEHN COc1ccc(Br)cc1CNC(=O)N1CCN2CCC[C@H]2C1 ZINC000171905471 327169290 /nfs/dbraw/zinc/16/92/90/327169290.db2.gz DBJZGIPSBUHGMU-AWEZNQCLSA-N 0 3 368.275 2.447 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NCCCSc2ccc(F)cc2)CCO1 ZINC000172114888 327181459 /nfs/dbraw/zinc/18/14/59/327181459.db2.gz LOJUYNXZTBNFLX-OAHLLOKOSA-N 0 3 355.479 2.280 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)CCO1 ZINC000172127427 327182225 /nfs/dbraw/zinc/18/22/25/327182225.db2.gz SUPSVIBNWUEYAL-IUODEOHRSA-N 0 3 353.850 2.136 10 0 FEAEHN O=C(N[C@@H]1CCOc2ccccc21)N1CCN(CC2CCOCC2)CC1 ZINC000172435211 327201728 /nfs/dbraw/zinc/20/17/28/327201728.db2.gz IYRWDGRATFIJOU-GOSISDBHSA-N 0 3 359.470 2.264 10 0 FEAEHN Cc1cccc(OC[C@@H](O)CN2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000172840707 327221835 /nfs/dbraw/zinc/22/18/35/327221835.db2.gz BBBDYIPPNKGYKK-SFHVURJKSA-N 0 3 356.470 2.045 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)N1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000173767560 327282805 /nfs/dbraw/zinc/28/28/05/327282805.db2.gz TYNBYCFVMWMOAU-VQTJNVASSA-N 0 3 374.529 2.186 10 0 FEAEHN COCC[C@@H](C)NC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000174544837 327334022 /nfs/dbraw/zinc/33/40/22/327334022.db2.gz JVGMGZNORGWOKS-APWZRJJASA-N 0 3 363.502 2.156 10 0 FEAEHN Cc1nc(CN2CCCN(C(=O)Nc3cccc(CN(C)C)c3)CC2)no1 ZINC000174869945 327356426 /nfs/dbraw/zinc/35/64/26/327356426.db2.gz IDLYTUXKGDXPHZ-UHFFFAOYSA-N 0 3 372.473 2.179 10 0 FEAEHN CNC(=O)CC1CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000175025347 327368704 /nfs/dbraw/zinc/36/87/04/327368704.db2.gz KCDWQALXRTXINT-KRWDZBQOSA-N 0 3 354.878 2.066 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CNC[C@@H](CO)c1ccccc1 ZINC000175050322 327370889 /nfs/dbraw/zinc/37/08/89/327370889.db2.gz YGZNNFYHCLXOSK-SFHVURJKSA-N 0 3 372.513 2.246 10 0 FEAEHN Cc1ccc(-c2noc(CCCN3CCO[C@@H](CN(C)C)C3)n2)cc1F ZINC000175204806 327379787 /nfs/dbraw/zinc/37/97/87/327379787.db2.gz VPFNODJPKLPEEO-INIZCTEOSA-N 0 3 362.449 2.379 10 0 FEAEHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000177332800 327515010 /nfs/dbraw/zinc/51/50/10/327515010.db2.gz DXXVLCHUXWCKDR-KRWDZBQOSA-N 0 3 356.474 2.406 10 0 FEAEHN NC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)CCOCC1 ZINC000261665773 328809739 /nfs/dbraw/zinc/80/97/39/328809739.db2.gz BNMORCBKOOTSTQ-CQSZACIVSA-N 0 3 374.416 2.090 10 0 FEAEHN CC(C)(CNC(=O)C1(N)CCOCC1)c1cccc(Br)c1 ZINC000261825914 328822442 /nfs/dbraw/zinc/82/24/42/328822442.db2.gz KRVLJGAQTFHLML-UHFFFAOYSA-N 0 3 355.276 2.351 10 0 FEAEHN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)C1(N)CCOCC1 ZINC000261926894 328829892 /nfs/dbraw/zinc/82/98/92/328829892.db2.gz VTBZCWXXNCHNGP-OAHLLOKOSA-N 0 3 359.470 2.456 10 0 FEAEHN N[C@H](C(=O)N1CCc2c(Br)cccc2C1)C1CCOCC1 ZINC000262115106 328843446 /nfs/dbraw/zinc/84/34/46/328843446.db2.gz VYUDKJUNSWVIER-HNNXBMFYSA-N 0 3 353.260 2.088 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000262703183 328882243 /nfs/dbraw/zinc/88/22/43/328882243.db2.gz KGHSSUFAPQMMDD-RDTXWAMCSA-N 0 3 369.469 2.393 10 0 FEAEHN Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc([C@@H]2CNCCN2C)no1 ZINC000263161333 328921265 /nfs/dbraw/zinc/92/12/65/328921265.db2.gz DVCMIMOJABASJE-HNNXBMFYSA-N 0 3 358.833 2.460 10 0 FEAEHN CN1CCNC[C@H]1c1noc(C2(c3cccc(Br)c3)CC2)n1 ZINC000263188897 328923412 /nfs/dbraw/zinc/92/34/12/328923412.db2.gz HPVSWNWLEDRVAN-ZDUSSCGKSA-N 0 3 363.259 2.488 10 0 FEAEHN Cc1c(-c2nc([C@@H]3CNCCN3C)no2)cnn1-c1ccccc1Cl ZINC000263186963 328923438 /nfs/dbraw/zinc/92/34/38/328923438.db2.gz HKXIJZJJBVXJHJ-HNNXBMFYSA-N 0 3 358.833 2.460 10 0 FEAEHN Cc1noc(CSc2ccccc2-c2nc([C@@H]3CNCCN3C)no2)n1 ZINC000263286992 328930558 /nfs/dbraw/zinc/93/05/58/328930558.db2.gz VEDUNLQPCNQCBT-ZDUSSCGKSA-N 0 3 372.454 2.296 10 0 FEAEHN CCc1ccc([C@@H](CNC(=O)N2CCC[C@@H](C(=O)OC)C2)N(C)C)cc1 ZINC000155322411 545510966 /nfs/dbraw/zinc/51/09/66/545510966.db2.gz ITWAKIOIOAPJFN-QZTJIDSGSA-N 0 3 361.486 2.446 10 0 FEAEHN Cc1cccc(N2CCN(CCCCNC(=O)C[C@@H](O)C(C)C)CC2)c1 ZINC000155743809 545563829 /nfs/dbraw/zinc/56/38/29/545563829.db2.gz NVEAWHFPVWVGSN-HXUWFJFHSA-N 0 3 361.530 2.420 10 0 FEAEHN Cc1ccc(CCC(=O)NCC(=O)N[C@@H](CN(C)C)c2ccccc2)cc1 ZINC000156555931 545636089 /nfs/dbraw/zinc/63/60/89/545636089.db2.gz UAWSPICNKDTPMI-FQEVSTJZSA-N 0 3 367.493 2.463 10 0 FEAEHN C[C@@H](O)CN1CCN(CCc2nc(-c3cccc(Cl)c3)no2)C[C@@H]1C ZINC000157940421 545801966 /nfs/dbraw/zinc/80/19/66/545801966.db2.gz KTOPHMHFXDZMID-UONOGXRCSA-N 0 3 364.877 2.319 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000158417917 545857200 /nfs/dbraw/zinc/85/72/00/545857200.db2.gz FFGSYCNZEYDZFX-SNVBAGLBSA-N 0 3 374.666 2.204 10 0 FEAEHN O=C(NC[C@H](O)CN1CCc2ccccc2C1)[C@@H]1CCOc2ccccc21 ZINC000159269107 545937431 /nfs/dbraw/zinc/93/74/31/545937431.db2.gz ZEGCYEQFIONTTM-AZUAARDMSA-N 0 3 366.461 2.088 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000170855194 546179658 /nfs/dbraw/zinc/17/96/58/546179658.db2.gz KSLZGRAMWLIELV-PXAZEXFGSA-N 0 3 365.886 2.431 10 0 FEAEHN Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000170856524 546180048 /nfs/dbraw/zinc/18/00/48/546180048.db2.gz ILPPMKMJWIEYFX-MOPGFXCFSA-N 0 3 374.529 2.371 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)CSc2nncn2-c2cccc(Cl)c2)C1 ZINC000170867929 546180799 /nfs/dbraw/zinc/18/07/99/546180799.db2.gz DRLWLDYETMBZBM-AWEZNQCLSA-N 0 3 365.890 2.175 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)N2CCCN(c3nccs3)CC2)[C@@H](C)C1 ZINC000176838229 546495241 /nfs/dbraw/zinc/49/52/41/546495241.db2.gz LQQTUPVTNJEEAI-GJZGRUSLSA-N 0 3 351.520 2.094 10 0 FEAEHN CCOc1cc(F)ccc1NC(=O)C(=O)N(C)C[C@H]1CCCN1CC ZINC000176893277 546501982 /nfs/dbraw/zinc/50/19/82/546501982.db2.gz AHTORPSFXPTFNO-CQSZACIVSA-N 0 3 351.422 2.106 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000176894788 546502525 /nfs/dbraw/zinc/50/25/25/546502525.db2.gz SZMZSBOTVJFWDE-CQSZACIVSA-N 0 3 368.275 2.330 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000176895257 546502788 /nfs/dbraw/zinc/50/27/88/546502788.db2.gz GETZIAJJJSYFCH-CYBMUJFWSA-N 0 3 353.850 2.230 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)CCC(=O)N1CCc2sccc2C1 ZINC000177000791 546521510 /nfs/dbraw/zinc/52/15/10/546521510.db2.gz RJPHEHFDHPAWDU-INIZCTEOSA-N 0 3 363.527 2.356 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000177033913 546527664 /nfs/dbraw/zinc/52/76/64/546527664.db2.gz ACHHVEFIYBETHC-AWEZNQCLSA-N 0 3 374.453 2.168 10 0 FEAEHN CCc1oc(C(=O)OC)cc1CN(C)C1CCN(CCn2cccn2)CC1 ZINC000177133830 546551915 /nfs/dbraw/zinc/55/19/15/546551915.db2.gz VMRNHCQGRLVMCC-UHFFFAOYSA-N 0 3 374.485 2.422 10 0 FEAEHN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@@H]2Cn2ccnc2C)n[nH]1 ZINC000177184906 546564970 /nfs/dbraw/zinc/56/49/70/546564970.db2.gz VAZAMCWQJJEBLK-OAHLLOKOSA-N 0 3 367.457 2.237 10 0 FEAEHN CC(C)c1nnc(CN(C)C2CCN(CCc3ccccn3)CC2)n1C ZINC000177261905 546581801 /nfs/dbraw/zinc/58/18/01/546581801.db2.gz LGKFRSJZIFQLGZ-UHFFFAOYSA-N 0 3 356.518 2.472 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000177392399 546608456 /nfs/dbraw/zinc/60/84/56/546608456.db2.gz SUYBSHVYJVNRJK-HXUWFJFHSA-N 0 3 374.529 2.145 10 0 FEAEHN COCCN(C)CCCNC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000177411916 546612487 /nfs/dbraw/zinc/61/24/87/546612487.db2.gz HIDYWYCJPGWPDD-CQSZACIVSA-N 0 3 353.467 2.008 10 0 FEAEHN COC(=O)[C@@]1(C)CCN(C[C@H](O)COc2cccc(Br)c2)C1 ZINC000177431428 546616105 /nfs/dbraw/zinc/61/61/05/546616105.db2.gz XUMPCFXNQMFNJB-BBRMVZONSA-N 0 3 372.259 2.074 10 0 FEAEHN Cc1c(C(=O)N(C)CC2CCN(C[C@H](O)c3ccccc3)CC2)cnn1C ZINC000177462961 546624226 /nfs/dbraw/zinc/62/42/26/546624226.db2.gz MXCGLTHBOLHNDP-FQEVSTJZSA-N 0 3 370.497 2.246 10 0 FEAEHN Cc1nc(-c2cccc(NC(=O)C(=O)N3CCN4CCC[C@H]4C3)c2)cs1 ZINC000177681659 546666327 /nfs/dbraw/zinc/66/63/27/546666327.db2.gz ZKOVZAISGBUJHV-INIZCTEOSA-N 0 3 370.478 2.364 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)NCCc1nc2ccccc2s1 ZINC000177701817 546670316 /nfs/dbraw/zinc/67/03/16/546670316.db2.gz WYKSWGBGUNSTTJ-OAHLLOKOSA-N 0 3 360.527 2.371 10 0 FEAEHN COc1ccc(CN(C)C(=O)CN2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000178334246 546777002 /nfs/dbraw/zinc/77/70/02/546777002.db2.gz BFALCHQAVYXDQF-GOSISDBHSA-N 0 3 356.470 2.323 10 0 FEAEHN COc1cc(-c2noc(CN3CCN4CCC[C@@H]4C3)n2)cc(OC)c1OC ZINC000178530850 546808006 /nfs/dbraw/zinc/80/80/06/546808006.db2.gz KRJZVLCVQOFJDY-CQSZACIVSA-N 0 3 374.441 2.042 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2ncsc2c1 ZINC000178628035 546822788 /nfs/dbraw/zinc/82/27/88/546822788.db2.gz VINXZCOUNMVYAO-CQSZACIVSA-N 0 3 360.483 2.471 10 0 FEAEHN CC(=O)Nc1ccc(NC(=O)CN2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000178745457 546842110 /nfs/dbraw/zinc/84/21/10/546842110.db2.gz SDIROAIKICFOOY-GOSISDBHSA-N 0 3 355.442 2.253 10 0 FEAEHN O=C(Cc1ccccc1I)N1CCN2CCC[C@@H]2C1 ZINC000178920033 546874014 /nfs/dbraw/zinc/87/40/14/546874014.db2.gz RLVZTQFEFQMLRE-CYBMUJFWSA-N 0 3 370.234 2.140 10 0 FEAEHN COC(=O)CCn1nc(C)c(CN2CCC[C@@H]2Cn2ccnc2C)c1C ZINC000180126715 547055347 /nfs/dbraw/zinc/05/53/47/547055347.db2.gz OWYPMDJJMJCQJS-QGZVFWFLSA-N 0 3 359.474 2.233 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N(C)C)cc1 ZINC000180902333 547206545 /nfs/dbraw/zinc/20/65/45/547206545.db2.gz WHJDQXFQTVCVRI-INIZCTEOSA-N 0 3 368.481 2.328 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(OC)c(F)c1C ZINC000181704554 547364012 /nfs/dbraw/zinc/36/40/12/547364012.db2.gz QBPBLAASGFHUPP-UONOGXRCSA-N 0 3 356.463 2.390 10 0 FEAEHN Cn1cc(CN2CCCN(CCCCC(=O)OC(C)(C)C)CC2)cn1 ZINC000181848358 547391623 /nfs/dbraw/zinc/39/16/23/547391623.db2.gz BETWGKXIJDKVMD-UHFFFAOYSA-N 0 3 350.507 2.440 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000181922314 547405092 /nfs/dbraw/zinc/40/50/92/547405092.db2.gz FVOUYIWZNTWLGQ-QGZVFWFLSA-N 0 3 369.469 2.252 10 0 FEAEHN Cc1cc(N2CCC[C@H](NC3CCN(c4ccccc4)CC3)C2=O)n(C)n1 ZINC000181918797 547405503 /nfs/dbraw/zinc/40/55/03/547405503.db2.gz RENCUPYZJVQGRU-IBGZPJMESA-N 0 3 367.497 2.483 10 0 FEAEHN COC(=O)c1ccccc1OCCN1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000182146055 547444777 /nfs/dbraw/zinc/44/47/77/547444777.db2.gz INFQZCLSTIYECL-KRWDZBQOSA-N 0 3 372.469 2.473 10 0 FEAEHN C[C@H](NCC(=O)Nc1ccccc1C(=O)NCc1ccco1)[C@@H]1CCCO1 ZINC000183121261 547605126 /nfs/dbraw/zinc/60/51/26/547605126.db2.gz QYYWLUBCLIQPCI-KSSFIOAISA-N 0 3 371.437 2.305 10 0 FEAEHN COC(=O)COc1ccccc1[C@@H](C)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000183771212 547717452 /nfs/dbraw/zinc/71/74/52/547717452.db2.gz ZNQSRKWOAVOYPN-HZPDHXFCSA-N 0 3 370.453 2.348 10 0 FEAEHN Cc1c(-c2cc(CN(C)[C@H]3CCCN(c4cccnn4)C3)on2)cnn1C ZINC000184516855 547839453 /nfs/dbraw/zinc/83/94/53/547839453.db2.gz HKCARJTZEZCTTA-HNNXBMFYSA-N 0 3 367.457 2.274 10 0 FEAEHN CC[C@H](O)CN1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000184975545 547910228 /nfs/dbraw/zinc/91/02/28/547910228.db2.gz YZXXLNVYJGIYJW-ZDUSSCGKSA-N 0 3 367.291 2.214 10 0 FEAEHN CC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000186332265 548120604 /nfs/dbraw/zinc/12/06/04/548120604.db2.gz LCSIEZIJXBMMDS-WOJBJXKFSA-N 0 3 372.513 2.207 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)C1 ZINC000194323263 548465747 /nfs/dbraw/zinc/46/57/47/548465747.db2.gz FULIDPYDNXTIEO-KRWDZBQOSA-N 0 3 359.518 2.353 10 0 FEAEHN COCCO[C@H]1CCCN(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)C1 ZINC000194348384 548469743 /nfs/dbraw/zinc/46/97/43/548469743.db2.gz ZHTISEFTTDULEI-HKUYNNGSSA-N 0 3 363.502 2.344 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Nc2cc(F)cc(N3CCOCC3)c2)C1 ZINC000194982463 548559216 /nfs/dbraw/zinc/55/92/16/548559216.db2.gz GYSCTPCLZHNIJC-HNNXBMFYSA-N 0 3 350.438 2.268 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 ZINC000245429542 548916491 /nfs/dbraw/zinc/91/64/91/548916491.db2.gz KPJOPOVQVJZJEN-RBUKOAKNSA-N 0 3 357.498 2.163 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000245721627 548982681 /nfs/dbraw/zinc/98/26/81/548982681.db2.gz RJCFVODZQNLFQI-ZIAGYGMSSA-N 0 3 352.445 2.241 10 0 FEAEHN COc1ccc(-c2n[nH]cc2CN2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000245779282 548993104 /nfs/dbraw/zinc/99/31/04/548993104.db2.gz UBANOJZKNGCPTN-DNVCBOLYSA-N 0 3 356.470 2.238 10 0 FEAEHN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCn3ncnc32)CCN1Cc1ccccc1 ZINC000245886494 549010137 /nfs/dbraw/zinc/01/01/37/549010137.db2.gz MDGNWAHSRHWDSP-NXHRZFHOSA-N 0 3 368.485 2.465 10 0 FEAEHN CCN1CCN(C[C@H](C)CNC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000245994295 549033401 /nfs/dbraw/zinc/03/34/01/549033401.db2.gz ATBNTAAFWIDIQM-PVAVHDDUSA-N 0 3 365.468 2.458 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cccc(-c3ncco3)c2)C1 ZINC000246136516 549060671 /nfs/dbraw/zinc/06/06/71/549060671.db2.gz PHRFRPHMVCLOHR-XJKSGUPXSA-N 0 3 356.426 2.125 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cc(F)c(F)cc2Cl)C1 ZINC000246373919 549117302 /nfs/dbraw/zinc/11/73/02/549117302.db2.gz JJCSYXLCIIPMJS-LKFCYVNXSA-N 0 3 359.804 2.402 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)CSCC(=O)Nc1ccc(F)cc1 ZINC000247112027 549284867 /nfs/dbraw/zinc/28/48/67/549284867.db2.gz ITBBTOWLGMCZFH-BBRMVZONSA-N 0 3 365.474 2.193 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000247166214 549294059 /nfs/dbraw/zinc/29/40/59/549294059.db2.gz QUSAHZOLDJWWQU-WTXIUTQJSA-N 0 3 366.506 2.262 10 0 FEAEHN CCS(=O)(=O)c1ccc2oc(CN3CCN4CCCC[C@H]4C3)nc2c1 ZINC000247316315 549317137 /nfs/dbraw/zinc/31/71/37/549317137.db2.gz VXGPGNZGWALGQA-AWEZNQCLSA-N 0 3 363.483 2.292 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)C1 ZINC000248511370 549452728 /nfs/dbraw/zinc/45/27/28/549452728.db2.gz BGKPAYSGSIFMTL-ZWKOTPCHSA-N 0 3 359.449 2.432 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(Cl)nc1C ZINC000248680709 549483061 /nfs/dbraw/zinc/48/30/61/549483061.db2.gz OFQJWOAZEMJSEI-STQMWFEESA-N 0 3 350.850 2.067 10 0 FEAEHN CCCc1csc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2CC)n1 ZINC000248680790 549483176 /nfs/dbraw/zinc/48/31/76/549483176.db2.gz OKBIFUUUXUNVHO-ZIAGYGMSSA-N 0 3 350.488 2.119 10 0 FEAEHN N[C@H](C(=O)NC1CCN(c2nc3ccccc3s2)CC1)C1CCOCC1 ZINC000261724634 549747835 /nfs/dbraw/zinc/74/78/35/549747835.db2.gz JMDUWARJSABWEW-KRWDZBQOSA-N 0 3 374.510 2.135 10 0 FEAEHN NC1(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)CCOCC1 ZINC000261931492 549770880 /nfs/dbraw/zinc/77/08/80/549770880.db2.gz WKTIKRNLOBGAJP-UHFFFAOYSA-N 0 3 354.332 2.338 10 0 FEAEHN C[C@H](c1ccccc1Cl)N1CCN(C(=O)[C@@H](N)C2CCOCC2)CC1 ZINC000262048168 549783906 /nfs/dbraw/zinc/78/39/06/549783906.db2.gz QTJQQROTZYRGAV-KDOFPFPSSA-N 0 3 365.905 2.299 10 0 FEAEHN O=C(c1cccc(F)c1I)N1CCN2CCC[C@H]2C1 ZINC000533544002 562512354 /nfs/dbraw/zinc/51/23/54/562512354.db2.gz KVMVCIDKHCVWAT-JTQLQIEISA-N 0 3 374.197 2.351 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000155402630 672232582 /nfs/dbraw/zinc/23/25/82/672232582.db2.gz ZRKSTCRYCUNXLO-IAQYHMDHSA-N 0 3 355.841 2.137 10 0 FEAEHN C[C@H](NCC(=O)Nc1nc(CN2CCC(C)CC2)cs1)[C@@H]1CCCO1 ZINC000183098538 672460192 /nfs/dbraw/zinc/46/01/92/672460192.db2.gz BGNABJIRIKYVDP-HOCLYGCPSA-N 0 3 366.531 2.471 10 0 FEAEHN C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000193644139 672732177 /nfs/dbraw/zinc/73/21/77/672732177.db2.gz BKLAMFAKJWTMMF-SKDRFNHKSA-N 0 3 364.243 2.161 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000237043598 672806092 /nfs/dbraw/zinc/80/60/92/672806092.db2.gz ORYWMHYXIFDUEH-BLLLJJGKSA-N 0 3 350.438 2.312 10 0 FEAEHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000263117747 672928357 /nfs/dbraw/zinc/92/83/57/672928357.db2.gz GBMNSWHUAXUZFC-CLAHSXSESA-N 0 3 364.248 2.409 10 0 FEAEHN CC[C@H](NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccc(F)cn1 ZINC000702767433 673058519 /nfs/dbraw/zinc/05/85/19/673058519.db2.gz YJLLUUSAZWIJDJ-DUVNUKRYSA-N 0 3 353.438 2.489 10 0 FEAEHN C[C@@H](NC(=O)N[C@H](CN(C)C)c1ccccc1)c1nnc2ccccn21 ZINC000045185235 540206022 /nfs/dbraw/zinc/20/60/22/540206022.db2.gz HVOBLXQEZXDROL-GDBMZVCRSA-N 0 3 352.442 2.392 10 0 FEAEHN Cc1nnnn1-c1cccc(NC(=O)N[C@H](CN(C)C)c2ccccc2)c1 ZINC000045688966 540221916 /nfs/dbraw/zinc/22/19/16/540221916.db2.gz JLMPYIUHIIUUAA-GOSISDBHSA-N 0 3 365.441 2.395 10 0 FEAEHN O=C(NC[C@@H](O)CN1CCCCC1)Nc1ccc(OC(F)F)c(F)c1 ZINC000047714494 540325768 /nfs/dbraw/zinc/32/57/68/540325768.db2.gz WKKCFTNGEZDZHS-GFCCVEGCSA-N 0 3 361.364 2.395 10 0 FEAEHN CN(C)C[C@@H](NC(=O)C1CCN(Cc2nccn2C)CC1)c1ccccc1 ZINC000048274341 540354875 /nfs/dbraw/zinc/35/48/75/540354875.db2.gz QXWFDCKNASWCCM-LJQANCHMSA-N 0 3 369.513 2.051 10 0 FEAEHN CN(C)C[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccccc1 ZINC000052556369 540473300 /nfs/dbraw/zinc/47/33/00/540473300.db2.gz YTEQTPFDSRWSAR-QGZVFWFLSA-N 0 3 367.449 2.221 10 0 FEAEHN C[C@@H](NC(=O)c1ccco1)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000059002322 540862516 /nfs/dbraw/zinc/86/25/16/540862516.db2.gz GUCFQIZPJUVECY-CQSZACIVSA-N 0 3 361.417 2.127 10 0 FEAEHN Cc1nc(-c2cccc(NC(=O)NC[C@H](O)CN3CCCCC3)c2)no1 ZINC000064545387 541210923 /nfs/dbraw/zinc/21/09/23/541210923.db2.gz QSSABVSJKCUYAI-INIZCTEOSA-N 0 3 359.430 2.013 10 0 FEAEHN CC(C)[C@H](C)NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000064268855 541198481 /nfs/dbraw/zinc/19/84/81/541198481.db2.gz ORPHINCFMDDALX-HNNXBMFYSA-N 0 3 363.527 2.377 10 0 FEAEHN Cn1cc(CCNC(=O)NC[C@H]2CCCCN2Cc2ccccc2)cn1 ZINC000067569938 541481607 /nfs/dbraw/zinc/48/16/07/541481607.db2.gz RODIRYUNJOWBSX-LJQANCHMSA-N 0 3 355.486 2.317 10 0 FEAEHN Cc1nc(CN2CCOCC3(CCN([C@@H]4CCOC4)CC3)C2)cs1 ZINC000096078209 209108122 /nfs/dbraw/zinc/10/81/22/209108122.db2.gz ZEGIVVIVKWLGIH-QGZVFWFLSA-N 0 3 351.516 2.155 10 0 FEAEHN C[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccc2ccccc2c1 ZINC000074169268 542047147 /nfs/dbraw/zinc/04/71/47/542047147.db2.gz POALGQQHOZPYRB-BEFAXECRSA-N 0 3 353.466 2.427 10 0 FEAEHN Cc1ccc(CCN(C[C@H](O)CN2CCCC2=O)C[C@@H]2CCCO2)cc1 ZINC000076000011 542223423 /nfs/dbraw/zinc/22/34/23/542223423.db2.gz TWYIWAJYWPSDJG-PMACEKPBSA-N 0 3 360.498 2.002 10 0 FEAEHN Cc1ccc(CN(CCN2CCOCC2)C[C@H](O)COC(C)C)c(C)c1 ZINC000036098856 208146283 /nfs/dbraw/zinc/14/62/83/208146283.db2.gz AVYNREHZHBEDCJ-NRFANRHFSA-N 0 3 364.530 2.224 10 0 FEAEHN COc1ccc(-n2nc(C(=O)N3C[C@H]4CCCN4C[C@@H]3C)cc2C)cc1 ZINC000092459001 542864234 /nfs/dbraw/zinc/86/42/34/542864234.db2.gz IISIIICRDDSLEN-DOTOQJQBSA-N 0 3 354.454 2.498 10 0 FEAEHN Cc1ccnc(N2CCC[C@H](C(=O)NCCN(C)Cc3ccccc3)C2)n1 ZINC000065001207 136134338 /nfs/dbraw/zinc/13/43/38/136134338.db2.gz DGPUXXIDHBENSG-IBGZPJMESA-N 0 3 367.497 2.250 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)NCCN1CCc2sccc2C1 ZINC000097216166 543008156 /nfs/dbraw/zinc/00/81/56/543008156.db2.gz MKOLMERCGBIPMM-INIZCTEOSA-N 0 3 352.548 2.382 10 0 FEAEHN CCCC(=O)N[C@H]1CCCN(C[C@H](O)COCc2ccccc2F)C1 ZINC000101733476 543042538 /nfs/dbraw/zinc/04/25/38/543042538.db2.gz GRZBNJYDTBLXKA-IRXDYDNUSA-N 0 3 352.450 2.084 10 0 FEAEHN CCCC(=O)N[C@H]1CCCN(C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000102005540 543055274 /nfs/dbraw/zinc/05/52/74/543055274.db2.gz SRKLKSSKHVHNPL-SJORKVTESA-N 0 3 352.523 2.197 10 0 FEAEHN CC(=O)N[C@@H]1CCCN(CCCCCn2nnc(-c3ccccc3)n2)C1 ZINC000104674634 543136943 /nfs/dbraw/zinc/13/69/43/543136943.db2.gz NDIHVSIPWVFWEU-GOSISDBHSA-N 0 3 356.474 2.111 10 0 FEAEHN COCCN1CCN(CCC(=O)Nc2ccc(Cl)cc2F)C[C@H]1C ZINC000106108312 543199146 /nfs/dbraw/zinc/19/91/46/543199146.db2.gz GJVJUEHMHDKATD-CYBMUJFWSA-N 0 3 357.857 2.460 10 0 FEAEHN Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)N([C@@H](C)C3CC3)C3CC3)C2)n1 ZINC000106177640 543213658 /nfs/dbraw/zinc/21/36/58/543213658.db2.gz ORXZRUNLFQACGO-WMLDXEAASA-N 0 3 359.518 2.396 10 0 FEAEHN COC(=O)c1cccc(OCCN2CCC[C@@H](Cn3nc(C)nc3C)C2)c1 ZINC000106176890 543213688 /nfs/dbraw/zinc/21/36/88/543213688.db2.gz LIYNIYIWXMIUBH-QGZVFWFLSA-N 0 3 372.469 2.473 10 0 FEAEHN CCc1nccn1[C@@H]1CCCN(CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000106214422 543218219 /nfs/dbraw/zinc/21/82/19/543218219.db2.gz NLUZVUDGWASMDQ-QGZVFWFLSA-N 0 3 369.469 2.210 10 0 FEAEHN CC[C@@H](O)CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 ZINC000106395896 543227665 /nfs/dbraw/zinc/22/76/65/543227665.db2.gz VHKQZOOLZQYTKJ-OAHLLOKOSA-N 0 3 362.861 2.259 10 0 FEAEHN COc1ccc(C)cc1-n1ccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)n1 ZINC000113231041 543478124 /nfs/dbraw/zinc/47/81/24/543478124.db2.gz OXNJDSSGQFWGEE-HOTGVXAUSA-N 0 3 354.454 2.498 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000113228398 543478708 /nfs/dbraw/zinc/47/87/08/543478708.db2.gz QRRDLOIWMAZGBQ-BHIYHBOVSA-N 0 3 355.482 2.234 10 0 FEAEHN CN(C)C[C@@H](NC(=O)NCC1(C(=O)N(C)C)CCCC1)c1ccccc1 ZINC000113584456 543490939 /nfs/dbraw/zinc/49/09/39/543490939.db2.gz MYPBOPCVBKTANX-QGZVFWFLSA-N 0 3 360.502 2.237 10 0 FEAEHN O=C(CCN1CCCC[C@H]1c1cn[nH]c1)NC(=O)NCc1ccccc1 ZINC000114482780 543519842 /nfs/dbraw/zinc/51/98/42/543519842.db2.gz FCRHLSWMUDWHKW-KRWDZBQOSA-N 0 3 355.442 2.353 10 0 FEAEHN CC(C)(C)C(=O)NC[C@H]1CCCN(C[C@@H](O)COCc2ccccc2)C1 ZINC000114563092 543523854 /nfs/dbraw/zinc/52/38/54/543523854.db2.gz MCIVCHVIXROLSL-RTBURBONSA-N 0 3 362.514 2.438 10 0 FEAEHN O=C(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)c1ccnc(F)c1 ZINC000115158079 543553277 /nfs/dbraw/zinc/55/32/77/543553277.db2.gz LUYCTBOBAFMWMM-GOSISDBHSA-N 0 3 357.429 2.396 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC000247472608 549338654 /nfs/dbraw/zinc/33/86/54/549338654.db2.gz VKQUCRKREHARRP-NEWSRXKRSA-N 0 3 357.498 2.384 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NCc2csc(-c3ccccc3)n2)CCO1 ZINC000117051635 543622652 /nfs/dbraw/zinc/62/26/52/543622652.db2.gz QDFFQMJXIRNHJE-INIZCTEOSA-N 0 3 360.483 2.282 10 0 FEAEHN COC(=O)CNC(=O)CCN1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000127723953 544009982 /nfs/dbraw/zinc/00/99/82/544009982.db2.gz VGFRLZGLEDWPAW-CYBMUJFWSA-N 0 3 353.488 2.125 10 0 FEAEHN COc1cc(F)c(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)cc1F ZINC000129401422 544110099 /nfs/dbraw/zinc/11/00/99/544110099.db2.gz SBUJZBMSNWJJJW-GFCCVEGCSA-N 0 3 369.412 2.149 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N(CCN(C)C)Cc1ccco1)CC2 ZINC000129395445 544110215 /nfs/dbraw/zinc/11/02/15/544110215.db2.gz RKKBYOJVHKJXFQ-HNNXBMFYSA-N 0 3 374.489 2.083 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NCC2(c3ccccc3Cl)CC2)CCO1 ZINC000130778922 544164205 /nfs/dbraw/zinc/16/42/05/544164205.db2.gz MCJLRTSDLCOBMG-AWEZNQCLSA-N 0 3 351.878 2.344 10 0 FEAEHN O[C@@H](CNc1nc2ccccc2nc1N1CCCC1)CN1CCCCC1 ZINC000132307777 544226755 /nfs/dbraw/zinc/22/67/55/544226755.db2.gz JWPQIFPBJQPACD-INIZCTEOSA-N 0 3 355.486 2.489 10 0 FEAEHN CCC[C@@H](C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1)N(C)C ZINC000133506554 544272543 /nfs/dbraw/zinc/27/25/43/544272543.db2.gz INVCINZIRPEUSN-HNNXBMFYSA-N 0 3 369.868 2.494 10 0 FEAEHN CC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)cc1C ZINC000133799030 544283818 /nfs/dbraw/zinc/28/38/18/544283818.db2.gz ZKZHPIXMWICYPK-QGZVFWFLSA-N 0 3 359.470 2.373 10 0 FEAEHN CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)NCCn1cc(C)cn1 ZINC000132974405 544250490 /nfs/dbraw/zinc/25/04/90/544250490.db2.gz KXEZJJMIWLAKDT-CYBMUJFWSA-N 0 3 364.471 2.355 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000137208939 544386972 /nfs/dbraw/zinc/38/69/72/544386972.db2.gz FNTYDKGAYUPPMX-CABCVRRESA-N 0 3 370.291 2.266 10 0 FEAEHN CC(C)(N)c1cc2nc(-c3cncnc3)nc(N3CCOCC3)c2s1 ZINC000139166584 544400564 /nfs/dbraw/zinc/40/05/64/544400564.db2.gz HRORIHPKVXRWON-UHFFFAOYSA-N 0 3 356.455 2.179 10 0 FEAEHN COc1ccc(Cl)cc1NC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000150775673 544469913 /nfs/dbraw/zinc/46/99/13/544469913.db2.gz DBTVPOYADJGTSD-FZMZJTMJSA-N 0 3 353.850 2.132 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000150778679 544470495 /nfs/dbraw/zinc/47/04/95/544470495.db2.gz FHTVOAOMMKXYFJ-RISCZKNCSA-N 0 3 368.275 2.233 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000150797195 544472281 /nfs/dbraw/zinc/47/22/81/544472281.db2.gz ROXTXBZOAIJADT-FZMZJTMJSA-N 0 3 357.376 2.489 10 0 FEAEHN CC(C)N1CCO[C@H](CN2CCN(CCc3ccc(F)c(F)c3)CC2)C1 ZINC000152050848 544610146 /nfs/dbraw/zinc/61/01/46/544610146.db2.gz MGIQPFKJZICFKT-GOSISDBHSA-N 0 3 367.484 2.234 10 0 FEAEHN CC(C)(C)OC[C@H](O)CN1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000153788280 544823533 /nfs/dbraw/zinc/82/35/33/544823533.db2.gz XRBMIIQFJWVVRY-OAHLLOKOSA-N 0 3 350.459 2.219 10 0 FEAEHN CCO[C@H]1C[C@@H](N(C)C(=O)NC2CCN(CCOC)CC2)C12CCCC2 ZINC000154168630 544873028 /nfs/dbraw/zinc/87/30/28/544873028.db2.gz CAPZKJULHFDPNG-MSOLQXFVSA-N 0 3 367.534 2.476 10 0 FEAEHN C[C@@H](NCC(=O)NCCc1ccc(OC(F)(F)F)cc1)[C@H]1CCCO1 ZINC000183157316 327804691 /nfs/dbraw/zinc/80/46/91/327804691.db2.gz KWAVFDZHDCADGA-IUODEOHRSA-N 0 3 360.376 2.401 10 0 FEAEHN CCOC(=O)c1cccnc1N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000184111861 327851828 /nfs/dbraw/zinc/85/18/28/327851828.db2.gz OUOMFHJMWYVUJB-UHFFFAOYSA-N 0 3 369.469 2.042 10 0 FEAEHN CC(C)c1nnc2n1C[C@H](N[C@H](C)CS(=O)(=O)c1ccccc1)CC2 ZINC000186293563 327955777 /nfs/dbraw/zinc/95/57/77/327955777.db2.gz QSCNQQYOFREJFU-HUUCEWRRSA-N 0 3 362.499 2.168 10 0 FEAEHN CN(C)C1(CN(C)C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CCC1 ZINC000187013571 327996861 /nfs/dbraw/zinc/99/68/61/327996861.db2.gz UYNDRBWJBLFQAW-AEFFLSMTSA-N 0 3 361.461 2.288 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000187051785 327999281 /nfs/dbraw/zinc/99/92/81/327999281.db2.gz SQAZDWVVMUABOE-MRXNPFEDSA-N 0 3 362.522 2.095 10 0 FEAEHN CCCCOc1cc(OC)ccc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000187701352 328040623 /nfs/dbraw/zinc/04/06/23/328040623.db2.gz JGTXIWYVSTZXMC-INIZCTEOSA-N 0 3 364.486 2.451 10 0 FEAEHN CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2CCCO[C@H]2C)CC1 ZINC000188641692 328100937 /nfs/dbraw/zinc/10/09/37/328100937.db2.gz GMZNBQIKIKPFIP-FXAWDEMLSA-N 0 3 359.514 2.255 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC[C@](C)(C(=O)OC)c1ccccc1 ZINC000190039710 328184205 /nfs/dbraw/zinc/18/42/05/328184205.db2.gz CTBDGFRXQXZFKH-PXNSSMCTSA-N 0 3 361.486 2.243 10 0 FEAEHN Cc1coc(-c2cccc(NC(=O)C(=O)N3C[C@@H]4CCCN4C[C@@H]3C)c2)n1 ZINC000190085667 328187092 /nfs/dbraw/zinc/18/70/92/328187092.db2.gz SAQKQJWZPAFVJB-YOEHRIQHSA-N 0 3 368.437 2.284 10 0 FEAEHN Cc1ccc(CNC(=O)N2CCN3CCC[C@@H]3C2)c(-n2cc(Cl)cn2)n1 ZINC000190416498 328206442 /nfs/dbraw/zinc/20/64/42/328206442.db2.gz UCEAEWWTMCTAGE-MRXNPFEDSA-N 0 3 374.876 2.219 10 0 FEAEHN CCc1cc(NC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)n(C)n1 ZINC000190503055 328212341 /nfs/dbraw/zinc/21/23/41/328212341.db2.gz VRVOOUSLKLIVNN-INIZCTEOSA-N 0 3 356.474 2.363 10 0 FEAEHN COC(=O)c1cccc(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190577943 328217471 /nfs/dbraw/zinc/21/74/71/328217471.db2.gz FFQZLGWFQTXRJD-QGZVFWFLSA-N 0 3 367.449 2.462 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)C2(O)CCCCC2)C1 ZINC000190548927 328215320 /nfs/dbraw/zinc/21/53/20/328215320.db2.gz YGRDZEAORMCILD-OAHLLOKOSA-N 0 3 351.516 2.427 10 0 FEAEHN CC(=O)N[C@@H](C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1)C1CCCC1 ZINC000190586591 328218050 /nfs/dbraw/zinc/21/80/50/328218050.db2.gz HTHNCSKQOSLUKI-AZUAARDMSA-N 0 3 372.513 2.057 10 0 FEAEHN COC[C@H](C)CNC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000190715273 328226964 /nfs/dbraw/zinc/22/69/64/328226964.db2.gz BFRCBYIVDSWLCE-HIFRSBDPSA-N 0 3 354.520 2.197 10 0 FEAEHN COc1ccc(C(=O)N2CCO[C@@H](CN(C)C)C2)c(OCC(C)C)c1 ZINC000191718685 328278620 /nfs/dbraw/zinc/27/86/20/328278620.db2.gz AHIYNFJRDJJCDD-INIZCTEOSA-N 0 3 350.459 2.133 10 0 FEAEHN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000192007223 328293729 /nfs/dbraw/zinc/29/37/29/328293729.db2.gz JNZLOQWAAJSLTA-SECBINFHSA-N 0 3 360.241 2.103 10 0 FEAEHN CCCCOC[C@@H](O)CN1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000193372865 328371249 /nfs/dbraw/zinc/37/12/49/328371249.db2.gz SKIWGQZIXOENSN-IBGZPJMESA-N 0 3 366.477 2.332 10 0 FEAEHN CCCCOC[C@@H](O)CN1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000193383515 328371882 /nfs/dbraw/zinc/37/18/82/328371882.db2.gz BMFGISZUMIZNRF-IBGZPJMESA-N 0 3 366.477 2.080 10 0 FEAEHN O=C(CC1CCN(C[C@H](O)COCc2ccccc2)CC1)N1CCCC1 ZINC000061050611 324854832 /nfs/dbraw/zinc/85/48/32/324854832.db2.gz HYWCLUHDEKXRBY-FQEVSTJZSA-N 0 3 360.498 2.289 10 0 FEAEHN Cc1cc(=O)c(C(=O)N[C@H](CC(C)C)CN(C)C)nn1-c1ccccc1F ZINC000077729943 325009583 /nfs/dbraw/zinc/00/95/83/325009583.db2.gz BWZDLVHAEQZWNN-OAHLLOKOSA-N 0 3 374.460 2.386 10 0 FEAEHN Cc1cc(N2CCC[C@H](NCc3ccc(-n4ccnc4)cc3)C2=O)n(C)n1 ZINC000080526837 325135009 /nfs/dbraw/zinc/13/50/09/325135009.db2.gz MXZMIAYSJNYSGV-SFHVURJKSA-N 0 3 364.453 2.199 10 0 FEAEHN CCN(Cc1ccccc1)C(=O)C(C)S(=O)(=O)Cc1nccn1CC ZINC000083066632 325212873 /nfs/dbraw/zinc/21/28/73/325212873.db2.gz PRCSOBHDERCLDV-HNNXBMFYSA-N 0 3 363.483 2.255 10 0 FEAEHN CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000087251265 325277894 /nfs/dbraw/zinc/27/78/94/325277894.db2.gz XJTLRFTWHZNAMI-HZPDHXFCSA-N 0 3 356.474 2.278 10 0 FEAEHN Cc1ccc(N2CCCN(C(=O)c3ccc(CN(C)C)cc3)CC2)nn1 ZINC000109635819 325671542 /nfs/dbraw/zinc/67/15/42/325671542.db2.gz ZVCLZHAMJCJENG-UHFFFAOYSA-N 0 3 353.470 2.199 10 0 FEAEHN CO[C@H](C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1)c1ccccc1 ZINC000114413786 325890286 /nfs/dbraw/zinc/89/02/86/325890286.db2.gz VQQOQCOLQRQWNW-FQEVSTJZSA-N 0 3 368.481 2.180 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2cc3c(cccc3OC(F)F)[nH]2)CCO1 ZINC000116793727 326035729 /nfs/dbraw/zinc/03/57/29/326035729.db2.gz XSLHKCLEZNDVKV-NSHDSACASA-N 0 3 353.369 2.172 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)CCc2ccccc2OC(F)(F)F)CCO1 ZINC000116790834 326035781 /nfs/dbraw/zinc/03/57/81/326035781.db2.gz MMPACWUDKZZMNB-AWEZNQCLSA-N 0 3 360.376 2.307 10 0 FEAEHN COc1cc(C(=O)N2CCO[C@H](CN(C)C)C2)ccc1OCC(C)C ZINC000116794210 326035818 /nfs/dbraw/zinc/03/58/18/326035818.db2.gz VKJXQQMZDSHYLG-MRXNPFEDSA-N 0 3 350.459 2.133 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2cccc(NC(=O)c3cccs3)c2)CCO1 ZINC000116790339 326035855 /nfs/dbraw/zinc/03/58/55/326035855.db2.gz PSJQQFIDAUCFLW-MRXNPFEDSA-N 0 3 373.478 2.403 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)CCO1 ZINC000116794109 326036141 /nfs/dbraw/zinc/03/61/41/326036141.db2.gz WOKRMDMMBANJSA-CYBMUJFWSA-N 0 3 351.497 2.203 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)CCO1 ZINC000118816598 326104390 /nfs/dbraw/zinc/10/43/90/326104390.db2.gz UERVKTRBJAMEOE-CQSZACIVSA-N 0 3 363.849 2.320 10 0 FEAEHN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000119572826 326176706 /nfs/dbraw/zinc/17/67/06/326176706.db2.gz VCMCGSRNCOPJGX-RDJZCZTQSA-N 0 3 370.501 2.495 10 0 FEAEHN C[C@@H](NC(=O)NC[C@](C)(O)CN(C)C)c1ccccc1Br ZINC000120308108 326248223 /nfs/dbraw/zinc/24/82/23/326248223.db2.gz KIHBPXMNSMWYTG-ABAIWWIYSA-N 0 3 358.280 2.122 10 0 FEAEHN Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](C)c2nnc3n2CCCC3)o1 ZINC000121432310 326338221 /nfs/dbraw/zinc/33/82/21/326338221.db2.gz PFWAAJUYIKCEMG-HNNXBMFYSA-N 0 3 374.489 2.350 10 0 FEAEHN CCOc1ccc(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)cc1F ZINC000121815327 326369735 /nfs/dbraw/zinc/36/97/35/326369735.db2.gz VYTVSWHZUFRTQF-CQSZACIVSA-N 0 3 353.438 2.255 10 0 FEAEHN COc1ccc(C(=O)N2CCO[C@H](CN(C)C)C2)cc1-c1ccccn1 ZINC000122585697 326402455 /nfs/dbraw/zinc/40/24/55/326402455.db2.gz JXKMVSNPGQXRQM-MRXNPFEDSA-N 0 3 355.438 2.160 10 0 FEAEHN Cc1ccc(CNC(=O)N2CCO[C@H](CN(C)C)C2)c(OCC2CC2)c1 ZINC000132912487 326599981 /nfs/dbraw/zinc/59/99/81/326599981.db2.gz PJIZYZXQYSQZAZ-GOSISDBHSA-N 0 3 361.486 2.256 10 0 FEAEHN CCC[C@H](C(=O)N1CCN(C(=O)c2ccccc2OCC)CC1)N(C)C ZINC000136575070 326653467 /nfs/dbraw/zinc/65/34/67/326653467.db2.gz KXBSYHPJEFEHNO-QGZVFWFLSA-N 0 3 361.486 2.100 10 0 FEAEHN C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2F)C[C@@H]1N(C)C ZINC000154536704 326762636 /nfs/dbraw/zinc/76/26/36/326762636.db2.gz NBLIPCAWLCXCDW-SKDRFNHKSA-N 0 3 365.268 2.159 10 0 FEAEHN CN(C)C[C@H]1CN(CC(=O)N(Cc2ccco2)Cc2ccccc2)CCO1 ZINC000155354466 326785739 /nfs/dbraw/zinc/78/57/39/326785739.db2.gz OYGRZTFMXPELDY-FQEVSTJZSA-N 0 3 371.481 2.071 10 0 FEAEHN CC(C)CC(=O)N1CCC(NC(=O)N[C@@H](CC(C)C)CN(C)C)CC1 ZINC000157908655 326878828 /nfs/dbraw/zinc/87/88/28/326878828.db2.gz DLZLEWAAYUUUGC-KRWDZBQOSA-N 0 3 354.539 2.299 10 0 FEAEHN C[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(-n2cnnn2)cc1 ZINC000159086383 326918511 /nfs/dbraw/zinc/91/85/11/326918511.db2.gz KATXAALSIGWSNE-KGLIPLIRSA-N 0 3 371.466 2.478 10 0 FEAEHN CCC[C@@H](C(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)N(C)C ZINC000161657244 327005186 /nfs/dbraw/zinc/00/51/86/327005186.db2.gz VNLPKPPLHLANKJ-IBGZPJMESA-N 0 3 370.497 2.112 10 0 FEAEHN CCC[C@H](C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1)N(C)C ZINC000161793485 327009350 /nfs/dbraw/zinc/00/93/50/327009350.db2.gz GDHSWZYFOVGPDD-MSOLQXFVSA-N 0 3 351.466 2.046 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000162744149 327033521 /nfs/dbraw/zinc/03/35/21/327033521.db2.gz WZHSGTLFAWOMPS-OCCSQVGLSA-N 0 3 350.488 2.114 10 0 FEAEHN CN(C)C[C@@H](NC(=O)c1cn(Cc2cccc(F)c2)nn1)c1ccccc1 ZINC000164647390 327073272 /nfs/dbraw/zinc/07/32/72/327073272.db2.gz QUVOEDWXJLIRQB-GOSISDBHSA-N 0 3 367.428 2.498 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000170844964 327102087 /nfs/dbraw/zinc/10/20/87/327102087.db2.gz BUJSYPFYMFVWQA-SNVBAGLBSA-N 0 3 363.767 2.460 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000170859551 327102899 /nfs/dbraw/zinc/10/28/99/327102899.db2.gz MHHZFHFKEKSQII-KRWDZBQOSA-N 0 3 367.449 2.371 10 0 FEAEHN CN(C)CCOc1ccccc1CNC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171468507 327141468 /nfs/dbraw/zinc/14/14/68/327141468.db2.gz CIFRRQYDRORWBE-GOSISDBHSA-N 0 3 371.485 2.407 10 0 FEAEHN O=C1c2ccccc2C(=O)N1CCN1CC[C@H](CNc2ccccn2)C1 ZINC000171648218 327151739 /nfs/dbraw/zinc/15/17/39/327151739.db2.gz NZNITWDRVADVHM-OAHLLOKOSA-N 0 3 350.422 2.112 10 0 FEAEHN O=C(NCc1ccnc(OCC(F)(F)F)c1)N1CCN2CCC[C@H]2C1 ZINC000171900491 327168636 /nfs/dbraw/zinc/16/86/36/327168636.db2.gz ONDUITPCXFNTJH-ZDUSSCGKSA-N 0 3 358.364 2.012 10 0 FEAEHN O=C(NCC1(c2ccc(F)cc2)CCOCC1)N1CCN2CCC[C@H]2C1 ZINC000171904056 327168883 /nfs/dbraw/zinc/16/88/83/327168883.db2.gz DZMQJQKPUUVKCF-SFHVURJKSA-N 0 3 361.461 2.364 10 0 FEAEHN O=C(c1cn(-c2cccc(C(F)(F)F)c2)nn1)N1CCN2CCC[C@H]2C1 ZINC000172542526 327207299 /nfs/dbraw/zinc/20/72/99/327207299.db2.gz VWJBELTXBLWKIR-AWEZNQCLSA-N 0 3 365.359 2.206 10 0 FEAEHN CN1CCC[C@H](CNC(=O)N2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000172586626 327209699 /nfs/dbraw/zinc/20/96/99/327209699.db2.gz XPNIBQYCRAFSOY-OAHLLOKOSA-N 0 3 357.458 2.001 10 0 FEAEHN CN(C)Cc1cccc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c1 ZINC000172613711 327211749 /nfs/dbraw/zinc/21/17/49/327211749.db2.gz ATMGNJQTUBTLIZ-KRWDZBQOSA-N 0 3 358.463 2.397 10 0 FEAEHN C[C@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)Oc1ccc(Cl)cc1 ZINC000173446484 327257848 /nfs/dbraw/zinc/25/78/48/327257848.db2.gz SIPNSKLEAORQAV-CZUORRHYSA-N 0 3 355.866 2.079 10 0 FEAEHN CCCCNC(=O)[C@H](C)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000173646241 327273350 /nfs/dbraw/zinc/27/33/50/327273350.db2.gz OOVUAUCEDZBTMC-HOTGVXAUSA-N 0 3 353.532 2.324 10 0 FEAEHN CCN1CCN(c2ccc(C(=O)N3CC[C@@H](c4cnn(C)c4)C3)cc2)CC1 ZINC000173749764 327281133 /nfs/dbraw/zinc/28/11/33/327281133.db2.gz HOIHTYVVMBVSCD-GOSISDBHSA-N 0 3 367.497 2.192 10 0 FEAEHN CCC[C@H](CCO)CNCc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000173848685 327288649 /nfs/dbraw/zinc/28/86/49/327288649.db2.gz UCJIFDKRGZXFPP-MRXNPFEDSA-N 0 3 352.523 2.268 10 0 FEAEHN CCn1cc(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)cn1 ZINC000174853545 327355264 /nfs/dbraw/zinc/35/52/64/327355264.db2.gz HBOXVKCUUBTLMR-IBGZPJMESA-N 0 3 356.470 2.078 10 0 FEAEHN Cc1cccc2c(CCNC(=O)NC[C@H](O)CN3CCCCC3)c[nH]c21 ZINC000175434788 327392645 /nfs/dbraw/zinc/39/26/45/327392645.db2.gz ZZTBJFTXISFIEQ-KRWDZBQOSA-N 0 3 358.486 2.165 10 0 FEAEHN Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H]2CCCn3nc(C)nc32)o1 ZINC000175885421 327419565 /nfs/dbraw/zinc/41/95/65/327419565.db2.gz YCERYIJNZXMIJY-MRXNPFEDSA-N 0 3 360.462 2.096 10 0 FEAEHN Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)[C@@H]1C[C@H](O)CN1 ZINC000262434587 328865736 /nfs/dbraw/zinc/86/57/36/328865736.db2.gz SAGWQDNPXSPSDB-YOEHRIQHSA-N 0 3 368.412 2.349 10 0 FEAEHN COc1ccc(Br)c(-c2nc([C@@H]3CNCCN3C)no2)c1 ZINC000263313258 328932287 /nfs/dbraw/zinc/93/22/87/328932287.db2.gz YZTBMFAGLLBEKW-LBPRGKRZSA-N 0 3 353.220 2.084 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 ZINC000155734232 545562803 /nfs/dbraw/zinc/56/28/03/545562803.db2.gz CENNFYHVRXUCPQ-JLSDUUJJSA-N 0 3 359.470 2.263 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000155819167 545573125 /nfs/dbraw/zinc/57/31/25/545573125.db2.gz MIFCBXCFXRCJKK-JTQLQIEISA-N 0 3 374.666 2.204 10 0 FEAEHN Cc1csc([C@@H]2CCCN(CCCN3C(=O)NC(C)(C)C3=O)C2)n1 ZINC000156961888 545683434 /nfs/dbraw/zinc/68/34/34/545683434.db2.gz BLMSTLIAPHOZLF-CYBMUJFWSA-N 0 3 350.488 2.351 10 0 FEAEHN COc1ccc([C@@H](C)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000159292256 545940492 /nfs/dbraw/zinc/94/04/92/545940492.db2.gz NHIVKSDSIUEYTK-OXQOHEQNSA-N 0 3 368.477 2.334 10 0 FEAEHN COc1ccccc1[C@@H](CNC(=O)N1CC[C@H](N(C)C)C1)N1CCCC1 ZINC000170862943 546180956 /nfs/dbraw/zinc/18/09/56/546180956.db2.gz OTZSPHGLTHKXMB-FUHWJXTLSA-N 0 3 360.502 2.178 10 0 FEAEHN CCCCO[C@@H]1C[C@H](NC(=O)NC[C@H](O)CN2CCCCC2)C1(C)C ZINC000175915209 546370649 /nfs/dbraw/zinc/37/06/49/546370649.db2.gz HSJQYFSBJOEFOZ-YESZJQIVSA-N 0 3 355.523 2.116 10 0 FEAEHN COc1cccc(F)c1[C@@H](C)NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000176014828 546391586 /nfs/dbraw/zinc/39/15/86/546391586.db2.gz NYQGPPPISCBAFX-KGLIPLIRSA-N 0 3 353.438 2.041 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(OC3CCCC3)nc2)[C@@H](C)C1 ZINC000176749471 546483020 /nfs/dbraw/zinc/48/30/20/546483020.db2.gz XWPFOLVSWUUJHG-YOEHRIQHSA-N 0 3 374.485 2.186 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc3cnn(C(C)C)c3c2)[C@@H](C)C1 ZINC000176751239 546483293 /nfs/dbraw/zinc/48/32/93/546483293.db2.gz ZRDTTZYECABRBK-YOEHRIQHSA-N 0 3 371.485 2.401 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000176890439 546501717 /nfs/dbraw/zinc/50/17/17/546501717.db2.gz ATMPIQHBNHUFGO-ZDUSSCGKSA-N 0 3 373.375 2.466 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc(-c2cnco2)c1 ZINC000176902145 546503737 /nfs/dbraw/zinc/50/37/37/546503737.db2.gz QLJLNHQBNBOZFL-MRXNPFEDSA-N 0 3 356.426 2.223 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000176899276 546504292 /nfs/dbraw/zinc/50/42/92/546504292.db2.gz UONKDMYWKAMSNJ-GFCCVEGCSA-N 0 3 373.375 2.308 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CCn1cnc2c(C)cccc2c1=O ZINC000176988830 546519161 /nfs/dbraw/zinc/51/91/61/546519161.db2.gz FQMVOCKMSQWUFO-MRXNPFEDSA-N 0 3 356.470 2.038 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CCCNC(=O)NC1CCCCC1 ZINC000176997598 546520843 /nfs/dbraw/zinc/52/08/43/546520843.db2.gz VVIFGPILVPAFEG-QGZVFWFLSA-N 0 3 352.523 2.341 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O ZINC000177026615 546526408 /nfs/dbraw/zinc/52/64/08/546526408.db2.gz GUMDWYQQIIXITH-FXAWDEMLSA-N 0 3 370.497 2.158 10 0 FEAEHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN(CCC(F)(F)F)CC1CC1 ZINC000177170768 546561295 /nfs/dbraw/zinc/56/12/95/546561295.db2.gz BLAUGEJGHDMSDR-ZDUSSCGKSA-N 0 3 370.371 2.308 10 0 FEAEHN C[C@@H]1CN(C[C@H](O)COc2cccc3ccccc32)C[C@@H]1N1CCOCC1 ZINC000177273920 546584740 /nfs/dbraw/zinc/58/47/40/546584740.db2.gz ZAAGRSYRNCZPKG-LMNJBCLMSA-N 0 3 370.493 2.232 10 0 FEAEHN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000177316805 546593334 /nfs/dbraw/zinc/59/33/34/546593334.db2.gz UBKCWHCMJUCZBW-OAHLLOKOSA-N 0 3 360.458 2.099 10 0 FEAEHN COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000177509019 546633519 /nfs/dbraw/zinc/63/35/19/546633519.db2.gz XILYGUBGUHUNRN-CABCVRRESA-N 0 3 365.478 2.150 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCCc1cccc(C(=O)N(C)C)c1 ZINC000177545754 546641685 /nfs/dbraw/zinc/64/16/85/546641685.db2.gz KTEHOWWHTKTDMS-GOSISDBHSA-N 0 3 360.502 2.057 10 0 FEAEHN O=C(Nc1ccc(Oc2ccncc2)cc1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177685175 546667425 /nfs/dbraw/zinc/66/74/25/546667425.db2.gz YWQMJENJTUZMSL-INIZCTEOSA-N 0 3 366.421 2.119 10 0 FEAEHN CCCn1ccc2ccc(NC(=O)C(=O)N3CCN4CCC[C@H]4C3)cc21 ZINC000177688681 546667671 /nfs/dbraw/zinc/66/76/71/546667671.db2.gz IDXZZEDPFGMMFI-KRWDZBQOSA-N 0 3 354.454 2.296 10 0 FEAEHN CCN1CCC[C@H]1CN(C)CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000177694886 546669032 /nfs/dbraw/zinc/66/90/32/546669032.db2.gz HCEFDOAKYGJLBB-SFHVURJKSA-N 0 3 359.518 2.427 10 0 FEAEHN CC(C)CCOc1cccc(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000177697681 546670432 /nfs/dbraw/zinc/67/04/32/546670432.db2.gz PSPVVUYMGGOSCK-KRWDZBQOSA-N 0 3 359.470 2.357 10 0 FEAEHN CC(=O)c1cccc(OC[C@@H](O)CN2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000178285930 546769462 /nfs/dbraw/zinc/76/94/62/546769462.db2.gz WYXXBJRICZDXAJ-MOPGFXCFSA-N 0 3 357.454 2.298 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000178333976 546776778 /nfs/dbraw/zinc/77/67/78/546776778.db2.gz FOVPUJAZOROWIZ-YOEHRIQHSA-N 0 3 370.453 2.454 10 0 FEAEHN C[C@H]1C[C@@H](C(=O)N2CCC(C(=O)NCCN(C)C)CC2)CC(C)(C)C1 ZINC000180149456 547058951 /nfs/dbraw/zinc/05/89/51/547058951.db2.gz LUCPMIONZVPBJF-DOTOQJQBSA-N 0 3 351.535 2.365 10 0 FEAEHN Cc1ncc(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)c(C)n1 ZINC000180495597 547118923 /nfs/dbraw/zinc/11/89/23/547118923.db2.gz ZDBXKBSOCBZSPJ-HXUWFJFHSA-N 0 3 368.481 2.269 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(OC)c(NC(C)=O)c1)CC2 ZINC000180623911 547144580 /nfs/dbraw/zinc/14/45/80/547144580.db2.gz ZEVXJXNDIBWHHS-WFASDCNBSA-N 0 3 357.458 2.473 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(OC)c(F)c1C ZINC000181704536 547363575 /nfs/dbraw/zinc/36/35/75/547363575.db2.gz QBPBLAASGFHUPP-ZIAGYGMSSA-N 0 3 356.463 2.390 10 0 FEAEHN CC(C)c1nnc2n1C[C@H](NC(=O)N1CCN(C3CCCCC3)CC1)CC2 ZINC000181742676 547371659 /nfs/dbraw/zinc/37/16/59/547371659.db2.gz WLBBDQOXQOPNJR-MRXNPFEDSA-N 0 3 374.533 2.376 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)Cn1cnc2ccccc2c1=O ZINC000182104433 547438084 /nfs/dbraw/zinc/43/80/84/547438084.db2.gz HDKUEVQAJBIOOT-INIZCTEOSA-N 0 3 364.449 2.033 10 0 FEAEHN COc1ccc(C(=O)N2CCO[C@H](CN(C)C)C2)cc1OC1CCCC1 ZINC000182444741 547494031 /nfs/dbraw/zinc/49/40/31/547494031.db2.gz VRHIEHGPNZMITF-QGZVFWFLSA-N 0 3 362.470 2.419 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182484162 547501789 /nfs/dbraw/zinc/50/17/89/547501789.db2.gz ZZPMLAPHQHQGNX-UKRRQHHQSA-N 0 3 357.483 2.459 10 0 FEAEHN Cc1cccnc1/C=C/C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000183582696 547685236 /nfs/dbraw/zinc/68/52/36/547685236.db2.gz JSRLDJOXARPDBZ-VOTSOKGWSA-N 0 3 353.470 2.223 10 0 FEAEHN COc1c(CN2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c(C)nn1C ZINC000184237023 547792190 /nfs/dbraw/zinc/79/21/90/547792190.db2.gz RWMHCIYDBYMYJI-IMJJTQAJSA-N 0 3 364.490 2.472 10 0 FEAEHN CCn1cnnc1[C@H]1CCCN(Cc2cc(-c3cnn(C)c3C)no2)C1 ZINC000184496990 547836766 /nfs/dbraw/zinc/83/67/66/547836766.db2.gz DOBDZSOETRRTFT-AWEZNQCLSA-N 0 3 355.446 2.375 10 0 FEAEHN Cc1ccnn1-c1ccccc1NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000184575353 547848081 /nfs/dbraw/zinc/84/80/81/547848081.db2.gz NGICDPAIHRRKOT-INIZCTEOSA-N 0 3 357.458 2.149 10 0 FEAEHN CCOCCN1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C[C@H]1CC ZINC000185748839 548029824 /nfs/dbraw/zinc/02/98/24/548029824.db2.gz SGLALBQVHPXYML-QGZVFWFLSA-N 0 3 357.458 2.045 10 0 FEAEHN COCC1=CCN(C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000185825395 548040907 /nfs/dbraw/zinc/04/09/07/548040907.db2.gz ZPXVGSBWCPWSRV-HNNXBMFYSA-N 0 3 356.260 2.467 10 0 FEAEHN CCc1nnc(NC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)s1 ZINC000190452205 548325184 /nfs/dbraw/zinc/32/51/84/548325184.db2.gz FBEUMMHPKZHAEL-CQSZACIVSA-N 0 3 360.487 2.481 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCN(c3ncnc4sccc43)CC2)C1 ZINC000194171618 548444959 /nfs/dbraw/zinc/44/49/59/548444959.db2.gz ICGWVQDDDNYTJS-AWEZNQCLSA-N 0 3 374.514 2.007 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(NS(=O)(=O)CC)cc2)C1 ZINC000194175155 548445019 /nfs/dbraw/zinc/44/50/19/548445019.db2.gz JOEXOFDXSDNIBN-OAHLLOKOSA-N 0 3 354.476 2.054 10 0 FEAEHN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCN2CCC[C@@H]2C1 ZINC000194270553 548457620 /nfs/dbraw/zinc/45/76/20/548457620.db2.gz FLIRULMZZIARAB-HIFRSBDPSA-N 0 3 351.244 2.059 10 0 FEAEHN Cc1csc(=O)n1CCN1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000195253889 548604077 /nfs/dbraw/zinc/60/40/77/548604077.db2.gz LVYXQXDTKINOMC-OAHLLOKOSA-N 0 3 366.556 2.437 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(CC(=O)NCc2ccccc2)C1 ZINC000195276854 548609282 /nfs/dbraw/zinc/60/92/82/548609282.db2.gz ZUTVGORXJPICEZ-HXUWFJFHSA-N 0 3 352.482 2.152 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(CC(=O)NCc2ccc(F)cc2)C1 ZINC000195292566 548614055 /nfs/dbraw/zinc/61/40/55/548614055.db2.gz RPPCTNXKKVIOCW-LJQANCHMSA-N 0 3 370.472 2.291 10 0 FEAEHN Cc1occc1C(=O)Nc1nc(CC(=O)N2CCN3CCC[C@@H]3C2)cs1 ZINC000195333930 548627337 /nfs/dbraw/zinc/62/73/37/548627337.db2.gz AFSYIFNMSJBVCM-CQSZACIVSA-N 0 3 374.466 2.146 10 0 FEAEHN CCN1CCC[C@H](NC(=O)C[C@@H](NC(C)=O)c2c(F)cccc2F)C1 ZINC000245406612 548909228 /nfs/dbraw/zinc/90/92/28/548909228.db2.gz XYASGJIGIGGEIX-XJKSGUPXSA-N 0 3 353.413 2.133 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000245430450 548917813 /nfs/dbraw/zinc/91/78/13/548917813.db2.gz LUKHPFVMLRDBKH-HUUCEWRRSA-N 0 3 365.424 2.260 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000245468310 548929828 /nfs/dbraw/zinc/92/98/28/548929828.db2.gz KOKUNPZIYOJIIC-MSOLQXFVSA-N 0 3 358.486 2.308 10 0 FEAEHN CC(C)N1CC[C@H](NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)C1=O ZINC000245473054 548931267 /nfs/dbraw/zinc/93/12/67/548931267.db2.gz PQGNUWXEFRHZHP-PMPSAXMXSA-N 0 3 351.516 2.109 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000245672305 548971550 /nfs/dbraw/zinc/97/15/50/548971550.db2.gz SIFHZVJMJXCNGZ-MOPGFXCFSA-N 0 3 372.513 2.161 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)C1 ZINC000245747852 548987706 /nfs/dbraw/zinc/98/77/06/548987706.db2.gz ANFWQCUQWJMVQV-IKGGRYGDSA-N 0 3 350.894 2.431 10 0 FEAEHN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCO[C@@H](CN(C)C)C1 ZINC000245889727 549011896 /nfs/dbraw/zinc/01/18/96/549011896.db2.gz BGHCJTBKSPQNAK-RDJZCZTQSA-N 0 3 359.470 2.215 10 0 FEAEHN CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC[C@H]2Cn2ccnc2C)c1 ZINC000245962176 549028072 /nfs/dbraw/zinc/02/80/72/549028072.db2.gz SPHYXGNGRKFNQU-KDOFPFPSSA-N 0 3 369.469 2.043 10 0 FEAEHN Cc1cc2ncn(C[C@H](O)CN3CC[C@@](O)(C(F)(F)F)C3)c2cc1C ZINC000246102820 549052480 /nfs/dbraw/zinc/05/24/80/549052480.db2.gz BCQPVRIWLDVYRT-CJNGLKHVSA-N 0 3 357.376 2.013 10 0 FEAEHN CC(C)c1ccccc1OC[C@H](O)CN1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246121368 549057239 /nfs/dbraw/zinc/05/72/39/549057239.db2.gz LJVNFAXVWKMBTL-GGPKGHCWSA-N 0 3 362.514 2.202 10 0 FEAEHN C[C@@H]1CN(C[C@H](O)CO[C@H]2CCCc3ccccc32)C[C@H]1N1CCOCC1 ZINC000246169157 549069187 /nfs/dbraw/zinc/06/91/87/549069187.db2.gz ROJXYANVYUNTDR-YKWDRNOUSA-N 0 3 374.525 2.094 10 0 FEAEHN O=C1c2ccccc2C(=O)N1C[C@H](O)CN1CCC[C@]2(CC=CCC2)C1 ZINC000246424849 549131183 /nfs/dbraw/zinc/13/11/83/549131183.db2.gz UHPBZBWWSGYRHY-IIBYNOLFSA-N 0 3 354.450 2.466 10 0 FEAEHN CC[C@@H]1CN(Cc2ccn(-c3c(F)cccc3F)n2)CCN1C[C@H](C)O ZINC000246635007 549178779 /nfs/dbraw/zinc/17/87/79/549178779.db2.gz JFXQPJVTYZPSBA-GOEBONIOSA-N 0 3 364.440 2.428 10 0 FEAEHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCN2CCC[C@H]2C1 ZINC000246750837 549204242 /nfs/dbraw/zinc/20/42/42/549204242.db2.gz XJIUYLALRSQXSC-SFHVURJKSA-N 0 3 353.470 2.208 10 0 FEAEHN CCCC(=O)N[C@@H]1CCCN(C(=O)NCCN2CCCC[C@H]2CC)C1 ZINC000247076023 549278893 /nfs/dbraw/zinc/27/88/93/549278893.db2.gz YXCUPDXHVLVVPX-IAGOWNOFSA-N 0 3 352.523 2.341 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000247178719 549295215 /nfs/dbraw/zinc/29/52/15/549295215.db2.gz KYGYGIMFWBPENW-SUMDDJOVSA-N 0 3 373.472 2.373 10 0 FEAEHN COCCN1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C[C@@H]1C ZINC000247235100 549303767 /nfs/dbraw/zinc/30/37/67/549303767.db2.gz WRDREYKDDUFAHW-AZUAARDMSA-N 0 3 374.529 2.186 10 0 FEAEHN CCOc1ccccc1NC(=O)CCN1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000247290775 549312381 /nfs/dbraw/zinc/31/23/81/549312381.db2.gz UDNIZVXYCNBJRM-DLBZAZTESA-N 0 3 363.502 2.191 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@H](C)CN1CCC[C@@H](C)C1)CC2 ZINC000247294636 549313075 /nfs/dbraw/zinc/31/30/75/549313075.db2.gz FMTPDTKDMZJXDT-OAGGEKHMSA-N 0 3 362.522 2.136 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)C1 ZINC000247659412 549369758 /nfs/dbraw/zinc/36/97/58/549369758.db2.gz PWPAFRWGLFLMGJ-BLLLJJGKSA-N 0 3 371.478 2.221 10 0 FEAEHN Cc1nc(C)n(C[C@@H]2CCCN(C[C@H](O)COc3ccccc3C)C2)n1 ZINC000247775218 549380054 /nfs/dbraw/zinc/38/00/54/549380054.db2.gz QJMKUGXIOMWWHM-MOPGFXCFSA-N 0 3 358.486 2.355 10 0 FEAEHN CC[C@@H]1CN(C[C@@H](O)COCc2ccc(Cl)cc2)CCN1CCOC ZINC000247810545 549382849 /nfs/dbraw/zinc/38/28/49/549382849.db2.gz UUEOZNXZAWVYDJ-RTBURBONSA-N 0 3 370.921 2.260 10 0 FEAEHN CC(C)c1nnc2n1C[C@@H](NC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)CC2 ZINC000248420200 549433876 /nfs/dbraw/zinc/43/38/76/549433876.db2.gz WJFYPWLALQZFGV-PMPSAXMXSA-N 0 3 362.522 2.136 10 0 FEAEHN COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCO[C@@H](CN(C)C)C1 ZINC000248461572 549444957 /nfs/dbraw/zinc/44/49/57/549444957.db2.gz XNIUHRFSDXXOHS-XHDPSFHLSA-N 0 3 361.269 2.470 10 0 FEAEHN COc1ccccc1S(=O)(=O)CCCN1C[C@@H]2CCCN2C[C@@H]1C ZINC000248637962 549473692 /nfs/dbraw/zinc/47/36/92/549473692.db2.gz VUVOWYAYNUQDEM-HOTGVXAUSA-N 0 3 352.500 2.028 10 0 FEAEHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000248776567 549499878 /nfs/dbraw/zinc/49/98/78/549499878.db2.gz WIUIEJOEMUWMJS-KBMXLJTQSA-N 0 3 351.441 2.211 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000248790198 549502213 /nfs/dbraw/zinc/50/22/13/549502213.db2.gz XIVJHLFWDNQMCD-DIOULYMOSA-N 0 3 365.271 2.448 10 0 FEAEHN Cc1c(C(=O)N2C[C@H]3CCCN3C[C@H]2C)nnn1Cc1ccc(F)cc1 ZINC000248840309 549511062 /nfs/dbraw/zinc/51/10/62/549511062.db2.gz QHMOUXJGKUTFIL-CXAGYDPISA-N 0 3 357.433 2.083 10 0 FEAEHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000249034041 549540099 /nfs/dbraw/zinc/54/00/99/549540099.db2.gz TUKXJOJHFDHFCH-ZWKOTPCHSA-N 0 3 370.501 2.049 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000249115236 549555089 /nfs/dbraw/zinc/55/50/89/549555089.db2.gz BDYUHTQYUHXPCM-WFASDCNBSA-N 0 3 351.397 2.432 10 0 FEAEHN CCc1nc2cc(NC(=O)C(=O)N3C[C@H]4CCCN4C[C@H]3C)ccc2o1 ZINC000249188852 549567307 /nfs/dbraw/zinc/56/73/07/549567307.db2.gz OTAJFSMBQPGSCC-TZMCWYRMSA-N 0 3 356.426 2.024 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000249262416 549574528 /nfs/dbraw/zinc/57/45/28/549574528.db2.gz ZEGUUJJTXMYSSE-IRXDYDNUSA-N 0 3 354.454 2.202 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(CC)C2)[C@H]1Oc1ccccc1 ZINC000249462070 549594206 /nfs/dbraw/zinc/59/42/06/549594206.db2.gz REFGOOPTRQKSBA-QXCFHYIPSA-N 0 3 361.486 2.395 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc([S@@](C)=O)cc2)C1 ZINC000251994954 549659570 /nfs/dbraw/zinc/65/95/70/549659570.db2.gz VQIYHZVGQZMDKN-WGDIFIGCSA-N 0 3 371.506 2.413 10 0 FEAEHN NC(=O)c1ccccc1Oc1ccc(NC(=O)C2(N)CCOCC2)cc1 ZINC000261673382 549741681 /nfs/dbraw/zinc/74/16/81/549741681.db2.gz CCWKMZVCBRVPPH-UHFFFAOYSA-N 0 3 355.394 2.024 10 0 FEAEHN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)[C@@H](N)C2CCOCC2)cc1 ZINC000261842054 549761385 /nfs/dbraw/zinc/76/13/85/549761385.db2.gz QRQAZINWQXNDOA-UXHICEINSA-N 0 3 360.498 2.299 10 0 FEAEHN NC1(C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)CCOCC1 ZINC000261929926 549771197 /nfs/dbraw/zinc/77/11/97/549771197.db2.gz WBRHVOFTAOYEIS-KRWDZBQOSA-N 0 3 365.905 2.319 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1 ZINC000262644027 549834834 /nfs/dbraw/zinc/83/48/34/549834834.db2.gz MRFQUGNOBOFSMH-MGPUTAFESA-N 0 3 368.481 2.490 10 0 FEAEHN Cc1nn(-c2ccc(F)cc2)c(C)c1Cc1nc([C@@H]2CNCCN2C)no1 ZINC000263158454 549882239 /nfs/dbraw/zinc/88/22/39/549882239.db2.gz DRCDEPFBYSJPDH-KRWDZBQOSA-N 0 3 370.432 2.178 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(CCc2cccc(Br)c2)n1 ZINC000263221658 549886649 /nfs/dbraw/zinc/88/66/49/549886649.db2.gz LYATUYKQGCJRIH-CYBMUJFWSA-N 0 3 351.248 2.193 10 0 FEAEHN CN1CCNC[C@@H]1c1noc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)n1 ZINC000263236943 549887979 /nfs/dbraw/zinc/88/79/79/549887979.db2.gz ODRXBVSKHNQIDQ-GOEBONIOSA-N 0 3 370.457 2.057 10 0 FEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000263495652 549905100 /nfs/dbraw/zinc/90/51/00/549905100.db2.gz JPOGPBQSTUIIKB-IGEOTXOUSA-N 0 3 364.486 2.470 10 0 FEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000263495652 549905102 /nfs/dbraw/zinc/90/51/02/549905102.db2.gz JPOGPBQSTUIIKB-IGEOTXOUSA-N 0 3 364.486 2.470 10 0 FEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000263495652 549905104 /nfs/dbraw/zinc/90/51/04/549905104.db2.gz JPOGPBQSTUIIKB-IGEOTXOUSA-N 0 3 364.486 2.470 10 0 FEAEHN CN(C)C[C@@H]1CN(Cn2nc(Cc3cccc(F)c3)oc2=S)CCO1 ZINC000152965445 672190732 /nfs/dbraw/zinc/19/07/32/672190732.db2.gz CVFAXPJPZKKJQU-OAHLLOKOSA-N 0 3 366.462 2.155 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000179217810 672399944 /nfs/dbraw/zinc/39/99/44/672399944.db2.gz SDSRZACWMZSFBD-GJZGRUSLSA-N 0 3 354.495 2.169 10 0 FEAEHN Cc1cc(Br)cc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c1O ZINC000245650281 672822408 /nfs/dbraw/zinc/82/24/08/672822408.db2.gz HARIYFSDOMFFLX-QWHCGFSZSA-N 0 3 357.292 2.350 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000245895665 672825939 /nfs/dbraw/zinc/82/59/39/672825939.db2.gz DHMOTSQMYDIXOM-LSDHHAIUSA-N 0 3 354.495 2.169 10 0 FEAEHN CCN(CC)C(=O)[C@H](C)N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248597724 672858788 /nfs/dbraw/zinc/85/87/88/672858788.db2.gz MYBMCEXDFZISKK-CAOSSQGBSA-N 0 3 353.507 2.478 10 0 FEAEHN O=C([C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)N1CCC[C@@H](O)C1 ZINC000253350451 672878555 /nfs/dbraw/zinc/87/85/55/672878555.db2.gz JGNMOFIOVRBAPC-BZUAXINKSA-N 0 3 356.388 2.280 10 0 FEAEHN O=C(Cc1ccccc1Cl)NCCNC[C@@H](O)COc1ccccc1 ZINC000028263496 539828857 /nfs/dbraw/zinc/82/88/57/539828857.db2.gz PEFMYPBIKFUWCE-MRXNPFEDSA-N 0 3 362.857 2.028 10 0 FEAEHN O=C(NCCCCOc1ccc(F)cc1)NC[C@@H](O)CN1CCCCC1 ZINC000049175306 540384064 /nfs/dbraw/zinc/38/40/64/540384064.db2.gz HKEKDKACIPYWDK-QGZVFWFLSA-N 0 3 367.465 2.131 10 0 FEAEHN CC(C)COc1cccc(CNC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000056957543 540757850 /nfs/dbraw/zinc/75/78/50/540757850.db2.gz UOZDGHRRMGXCEH-SFHVURJKSA-N 0 3 363.502 2.367 10 0 FEAEHN C[C@@H](NC(=O)c1ccco1)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000065940207 541273137 /nfs/dbraw/zinc/27/31/37/541273137.db2.gz OCCWEEBHTPKIHC-CQSZACIVSA-N 0 3 361.417 2.127 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)C[C@H](NC(C)=O)c2c(F)cccc2F)C1 ZINC000067156347 541425932 /nfs/dbraw/zinc/42/59/32/541425932.db2.gz XYASGJIGIGGEIX-CJNGLKHVSA-N 0 3 353.413 2.133 10 0 FEAEHN Cc1nc2c(c(=O)[n-]1)CC[N@H+](C[C@@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC000067804778 541515329 /nfs/dbraw/zinc/51/53/29/541515329.db2.gz WGGBWTQLGJXKFX-ZDUSSCGKSA-N 0 3 355.438 2.086 10 0 FEAEHN Cc1nc2c(c(=O)[n-]1)CC[N@@H+](C[C@@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC000067804778 541515332 /nfs/dbraw/zinc/51/53/32/541515332.db2.gz WGGBWTQLGJXKFX-ZDUSSCGKSA-N 0 3 355.438 2.086 10 0 FEAEHN COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2ccc([O-])c3[nH]c(=O)ccc23)cc1 ZINC000034337797 208106212 /nfs/dbraw/zinc/10/62/12/208106212.db2.gz IHOXNOQMRZISPV-BFUOFWGJSA-N 0 3 368.433 2.497 10 0 in-vitro FEAEHN CC[C@H](C(=O)N1CCN(c2cc(N(C)C)cnn2)CC1)c1ccccc1 ZINC000224311080 132283088 /nfs/dbraw/zinc/28/30/88/132283088.db2.gz YNBJKWAYORKBSG-SFHVURJKSA-N 0 3 353.470 2.385 10 0 FEAEHN O=C(OC[C@@H]1COc2c(cccc2N2CCNCC2)O1)c1ccccc1 ZINC000252492074 132292398 /nfs/dbraw/zinc/29/23/98/132292398.db2.gz MBVFLXSVQGDIMB-INIZCTEOSA-N 0 3 354.406 2.093 10 0 FEAEHN COc1c(CN(C)C2CCN(CCc3ccccn3)CC2)c(C)nn1C ZINC000092645283 542876416 /nfs/dbraw/zinc/87/64/16/542876416.db2.gz RGJXYYIDVOERMC-UHFFFAOYSA-N 0 3 357.502 2.271 10 0 FEAEHN CC(C)c1nc(CS(=O)(=O)C(C)C(=O)N[C@H](C)c2ccccc2)no1 ZINC000098151815 543024088 /nfs/dbraw/zinc/02/40/88/543024088.db2.gz QDAJLYBECWZVTN-OLZOCXBDSA-N 0 3 365.455 2.374 10 0 FEAEHN Cc1ccc(C)c(OC[C@H](O)CN2CCCN(c3cccnn3)CC2)c1 ZINC000106068659 543188073 /nfs/dbraw/zinc/18/80/73/543188073.db2.gz JCMQEDAWCZGBTP-GOSISDBHSA-N 0 3 356.470 2.045 10 0 FEAEHN COc1ccc(NC(=O)CCN2CCCN(c3cccnn3)CC2)cc1 ZINC000106068876 543188275 /nfs/dbraw/zinc/18/82/75/543188275.db2.gz AZNURQFTYVZKQL-UHFFFAOYSA-N 0 3 355.442 2.026 10 0 FEAEHN C[C@@H]1CCC[C@H](C)N1C(=O)CN(C)C1CCN(CCn2cccn2)CC1 ZINC000106130006 543205287 /nfs/dbraw/zinc/20/52/87/543205287.db2.gz VCNBVIPYEVGTQF-HDICACEKSA-N 0 3 361.534 2.069 10 0 FEAEHN CN(CC(=O)N(C1CC1)C1CCCC1)C1CCN(CCn2cccn2)CC1 ZINC000106128757 543205967 /nfs/dbraw/zinc/20/59/67/543205967.db2.gz LJXYPNCRJBCFNH-UHFFFAOYSA-N 0 3 373.545 2.213 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)COc2cc(C)ccc2C)CCN1CCOC ZINC000106113014 543201008 /nfs/dbraw/zinc/20/10/08/543201008.db2.gz ZYVHQQWWWVCAQW-MOPGFXCFSA-N 0 3 350.503 2.086 10 0 FEAEHN C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCC[C@H](Cn2cncn2)C1 ZINC000106175863 543213808 /nfs/dbraw/zinc/21/38/08/543213808.db2.gz WZMBPRLKYLZOPF-ZACQAIPSSA-N 0 3 353.470 2.356 10 0 FEAEHN COc1ccc(C(=O)N(C)C2CCN(CCn3cccn3)CC2)cc1OC ZINC000109292141 543320491 /nfs/dbraw/zinc/32/04/91/543320491.db2.gz WDIUHZXRSYLUAX-UHFFFAOYSA-N 0 3 372.469 2.137 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)C1 ZINC000111882444 543423087 /nfs/dbraw/zinc/42/30/87/543423087.db2.gz GLZAFLUFDPRAJJ-LSDHHAIUSA-N 0 3 366.456 2.275 10 0 FEAEHN Cc1ccc2oc(N3CCN(C(=O)NC[C@H](C)N(C)C4CC4)CC3)nc2c1 ZINC000112452802 543447305 /nfs/dbraw/zinc/44/73/05/543447305.db2.gz VNIWVGHZONTJKQ-HNNXBMFYSA-N 0 3 371.485 2.451 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)c3ccc(Cl)nc3)CC2)nc1 ZINC000114413889 543514528 /nfs/dbraw/zinc/51/45/28/543514528.db2.gz NWFXQYHGQBGQAU-UHFFFAOYSA-N 0 3 359.861 2.154 10 0 FEAEHN CC[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CCN1CCOC ZINC000117300298 543628301 /nfs/dbraw/zinc/62/83/01/543628301.db2.gz FLQPJRVXFZNWAO-UXHICEINSA-N 0 3 359.514 2.220 10 0 FEAEHN Cc1cnn(CCNC(=O)NCC2(N3CCSCC3)CCCCC2)c1 ZINC000118075180 543643708 /nfs/dbraw/zinc/64/37/08/543643708.db2.gz NQFQMBFHBZUWIF-UHFFFAOYSA-N 0 3 365.547 2.242 10 0 FEAEHN CN(C)C[C@@H](NC(=O)CSCC(=O)OC(C)(C)C)c1ccccc1 ZINC000124312897 543813125 /nfs/dbraw/zinc/81/31/25/543813125.db2.gz RSCROUDBEMSYCK-OAHLLOKOSA-N 0 3 352.500 2.480 10 0 FEAEHN CCn1cnnc1[C@H]1CCCN(C[C@H](O)COCc2ccccc2OC)C1 ZINC000126210608 543923981 /nfs/dbraw/zinc/92/39/81/543923981.db2.gz LQERFNCLZVJHJG-WMZOPIPTSA-N 0 3 374.485 2.064 10 0 FEAEHN CCc1ccc([C@@H](C)N[C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000126268551 543927429 /nfs/dbraw/zinc/92/74/29/543927429.db2.gz PCYYATCUELOJIE-SJORKVTESA-N 0 3 367.497 2.427 10 0 FEAEHN Cc1nc2ccc(NC(=O)C(=O)NC[C@H]3CCCN3CC(C)C)cc2o1 ZINC000129348610 544107264 /nfs/dbraw/zinc/10/72/64/544107264.db2.gz FOQIZNZRAVNMBB-OAHLLOKOSA-N 0 3 358.442 2.311 10 0 FEAEHN CC(C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)n1 ZINC000129362938 544107943 /nfs/dbraw/zinc/10/79/43/544107943.db2.gz YUJPBQUWNXTJGD-MRXNPFEDSA-N 0 3 363.506 2.104 10 0 FEAEHN CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)cc1F ZINC000129450854 544112788 /nfs/dbraw/zinc/11/27/88/544112788.db2.gz NSKGQTAZQAXSDH-OAHLLOKOSA-N 0 3 365.449 2.400 10 0 FEAEHN CCC[C@H](C(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1)N(C)C ZINC000131001334 544173635 /nfs/dbraw/zinc/17/36/35/544173635.db2.gz IEVGZJLBPHWTAV-OAGGEKHMSA-N 0 3 353.532 2.356 10 0 FEAEHN CSCCc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000150786092 544471644 /nfs/dbraw/zinc/47/16/44/544471644.db2.gz HHNLJSOERRPJBH-YOEHRIQHSA-N 0 3 363.527 2.376 10 0 FEAEHN CC(C)OCc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000150799242 544473444 /nfs/dbraw/zinc/47/34/44/544473444.db2.gz AODIDEPCZGOENO-QAPCUYQASA-N 0 3 361.486 2.395 10 0 FEAEHN C[C@@H](NC(=O)c1ccco1)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000155197281 545000318 /nfs/dbraw/zinc/00/03/18/545000318.db2.gz UZBUXZSEBFYPBG-HUUCEWRRSA-N 0 3 370.453 2.135 10 0 FEAEHN CCOCCN1CCN(C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)C[C@@H]1C ZINC000247536120 549353225 /nfs/dbraw/zinc/35/32/25/549353225.db2.gz CMLRGUDZIKRRDX-RBUKOAKNSA-N 0 3 374.529 2.057 10 0 FEAEHN COC(=O)CCNC(=O)CN[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180073564 327669781 /nfs/dbraw/zinc/66/97/81/327669781.db2.gz NICWKDGEQOUNDP-INIZCTEOSA-N 0 3 358.360 2.425 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000180998764 327711627 /nfs/dbraw/zinc/71/16/27/327711627.db2.gz MDLATSFBPIOBHO-MRXNPFEDSA-N 0 3 369.469 2.175 10 0 FEAEHN COc1cc(CCNC(=O)CN[C@H](C)[C@H]2CCCO2)ccc1OC(F)F ZINC000183171171 327805397 /nfs/dbraw/zinc/80/53/97/327805397.db2.gz LPJDBPCNRWVIFO-TZMCWYRMSA-N 0 3 372.412 2.112 10 0 FEAEHN CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](CC(C)C)CN(C)C)C12CCOCC2 ZINC000185813735 327934108 /nfs/dbraw/zinc/93/41/08/327934108.db2.gz YRFDRVODMGLLJG-GVDBMIGSSA-N 0 3 355.523 2.236 10 0 FEAEHN COc1cc(Br)ccc1CNC(=O)N1CCN2CCC[C@H]2C1 ZINC000187843233 328049891 /nfs/dbraw/zinc/04/98/91/328049891.db2.gz LSJXZVNBDPMELC-AWEZNQCLSA-N 0 3 368.275 2.447 10 0 FEAEHN CC(C)c1nnc(CN(C)C[C@]2(O)CCN(Cc3ccccc3)C2)n1C ZINC000188274377 328077230 /nfs/dbraw/zinc/07/72/30/328077230.db2.gz WPDOQYUTNKNXTR-HXUWFJFHSA-N 0 3 357.502 2.007 10 0 FEAEHN CC[C@H](O)CN1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1 ZINC000189302433 328139831 /nfs/dbraw/zinc/13/98/31/328139831.db2.gz KNBKSOFXSDAXTB-NSHDSACASA-N 0 3 368.890 2.320 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000190081140 328186732 /nfs/dbraw/zinc/18/67/32/328186732.db2.gz NCMSSAQWARBVOA-SWLSCSKDSA-N 0 3 369.387 2.425 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000190100136 328188174 /nfs/dbraw/zinc/18/81/74/328188174.db2.gz BPCIKPAUNLENTF-SWLSCSKDSA-N 0 3 369.387 2.425 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C)c(OC)c1C ZINC000190342272 328201461 /nfs/dbraw/zinc/20/14/61/328201461.db2.gz QGRAKHVDWWPPAN-JKSUJKDBSA-N 0 3 359.470 2.336 10 0 FEAEHN CCCCOc1ccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2CC)cn1 ZINC000190357737 328202742 /nfs/dbraw/zinc/20/27/42/328202742.db2.gz URRDUPUUIXGTPO-IRXDYDNUSA-N 0 3 374.485 2.284 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC(O)(c3c(F)cccc3F)CC2)C1 ZINC000190392664 328205182 /nfs/dbraw/zinc/20/51/82/328205182.db2.gz IONOTRLJQOFAQJ-CQSZACIVSA-N 0 3 367.440 2.442 10 0 FEAEHN COc1cc(Br)ccc1[C@@H](C)NC[C@@H](O)CN1CCCC1=O ZINC000190463395 328209174 /nfs/dbraw/zinc/20/91/74/328209174.db2.gz HRHOHZYGHJXHCM-DGCLKSJQSA-N 0 3 371.275 2.092 10 0 FEAEHN COc1ncccc1NC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190496220 328211339 /nfs/dbraw/zinc/21/13/39/328211339.db2.gz PZUCTDJVUKJYFD-MRXNPFEDSA-N 0 3 355.442 2.471 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2ccc3nncn3c2)C1 ZINC000190530682 328214264 /nfs/dbraw/zinc/21/42/64/328214264.db2.gz ZGQMOSPXRGKXLL-AWEZNQCLSA-N 0 3 370.482 2.088 10 0 FEAEHN COC(=O)c1coc(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190583604 328217652 /nfs/dbraw/zinc/21/76/52/328217652.db2.gz HCUIXZHLHYSYPI-HNNXBMFYSA-N 0 3 357.410 2.055 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cnn3c2CCCC3)C1 ZINC000190582371 328217705 /nfs/dbraw/zinc/21/77/05/328217705.db2.gz UIMIFDHNODWJFT-KRWDZBQOSA-N 0 3 353.470 2.209 10 0 FEAEHN COc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c([O-])c1 ZINC000190614757 328219582 /nfs/dbraw/zinc/21/95/82/328219582.db2.gz YYUZJKBPVCBIPX-INIZCTEOSA-N 0 3 355.438 2.390 10 0 FEAEHN COc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c([O-])c1 ZINC000190614757 328219583 /nfs/dbraw/zinc/21/95/83/328219583.db2.gz YYUZJKBPVCBIPX-INIZCTEOSA-N 0 3 355.438 2.390 10 0 FEAEHN COC(=O)C1CCC(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)CC1 ZINC000190645718 328221699 /nfs/dbraw/zinc/22/16/99/328221699.db2.gz BWWZRSXJRJUSCW-LMDPOFIKSA-N 0 3 373.497 2.341 10 0 FEAEHN Cc1n[nH]cc1CCCNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190677193 328224220 /nfs/dbraw/zinc/22/42/20/328224220.db2.gz MJINGUASANOAJA-GOSISDBHSA-N 0 3 370.501 2.209 10 0 FEAEHN COc1cc(CNC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)ccn1 ZINC000190689574 328225105 /nfs/dbraw/zinc/22/51/05/328225105.db2.gz NRCISHUCHINLFZ-GOSISDBHSA-N 0 3 369.469 2.149 10 0 FEAEHN COC(C)(C)CNC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000190720440 328227518 /nfs/dbraw/zinc/22/75/18/328227518.db2.gz JORDVDVVYGXKJZ-CQSZACIVSA-N 0 3 354.520 2.340 10 0 FEAEHN COC(C)(C)CNC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000190720422 328227701 /nfs/dbraw/zinc/22/77/01/328227701.db2.gz JORDVDVVYGXKJZ-AWEZNQCLSA-N 0 3 354.520 2.340 10 0 FEAEHN Cc1nn(C)c(C)c1CNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190721345 328227707 /nfs/dbraw/zinc/22/77/07/328227707.db2.gz PVZRIVSINFVVFM-SFHVURJKSA-N 0 3 370.501 2.095 10 0 FEAEHN CCCc1cnc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2CC)s1 ZINC000190829928 328234779 /nfs/dbraw/zinc/23/47/79/328234779.db2.gz DMWHNOWUEWHDOQ-QWHCGFSZSA-N 0 3 350.488 2.119 10 0 FEAEHN CCOC(=O)C1CCC(O)(CN(C)Cc2ccc([S@@](C)=O)cc2)CC1 ZINC000190927351 328240436 /nfs/dbraw/zinc/24/04/36/328240436.db2.gz RYKHPKOBDXFZRJ-IXEKPQPNSA-N 0 3 367.511 2.340 10 0 FEAEHN COCCN(C)c1ccc(CN(C)[C@@H]2CCCN(c3cccnn3)C2)cn1 ZINC000191334081 328260653 /nfs/dbraw/zinc/26/06/53/328260653.db2.gz HHWGSHSWGMUDFE-GOSISDBHSA-N 0 3 370.501 2.055 10 0 FEAEHN COCCN(C)c1ccc(CN2CCC[C@@H](Cn3nc(C)nc3C)C2)cn1 ZINC000191341470 328260928 /nfs/dbraw/zinc/26/09/28/328260928.db2.gz ISXFJZMQPWUYRX-LJQANCHMSA-N 0 3 372.517 2.285 10 0 FEAEHN CC(C)(NC[C@@H](O)CN1CCCC1=O)c1ccc(OC(F)(F)F)cc1 ZINC000191696038 328277388 /nfs/dbraw/zinc/27/73/88/328277388.db2.gz GGHDJNLRBGXEPX-CYBMUJFWSA-N 0 3 360.376 2.393 10 0 FEAEHN CCCOc1ccc(CNC(=O)NC[C@H](O)CN2CCCCC2)c(C)c1 ZINC000191729656 328279095 /nfs/dbraw/zinc/27/90/95/328279095.db2.gz FQTUWKNGYBBJQH-SFHVURJKSA-N 0 3 363.502 2.430 10 0 FEAEHN Cc1c(Br)cccc1CC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000191871191 328286044 /nfs/dbraw/zinc/28/60/44/328286044.db2.gz FEJNKFJSAUXYGI-AWEZNQCLSA-N 0 3 355.276 2.089 10 0 FEAEHN CNC(=O)[C@H](NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)C(C)C ZINC000192663351 328331609 /nfs/dbraw/zinc/33/16/09/328331609.db2.gz LUDTYIROFUESFI-GDBMZVCRSA-N 0 3 366.531 2.030 10 0 FEAEHN O=S(=O)(N[C@@H]1CNCC[C@@H]1c1ccc(F)c(F)c1)c1cccs1 ZINC000193441878 328375770 /nfs/dbraw/zinc/37/57/70/328375770.db2.gz RWFYTQPPUKEARJ-BXUZGUMPSA-N 0 3 358.435 2.450 10 0 FEAEHN Cc1sc(Br)cc1S(=O)(=O)N1C[C@H](N(C)C)[C@@H](C)C1 ZINC000228129986 328485025 /nfs/dbraw/zinc/48/50/25/328485025.db2.gz XPVYEKSAFRGCMA-WPRPVWTQSA-N 0 3 367.334 2.390 10 0 FEAEHN CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000087251262 325277997 /nfs/dbraw/zinc/27/79/97/325277997.db2.gz XJTLRFTWHZNAMI-CVEARBPZSA-N 0 3 356.474 2.278 10 0 FEAEHN O[C@@H](COCc1ccccc1)CN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000091631273 325389430 /nfs/dbraw/zinc/38/94/30/325389430.db2.gz WYQKJPWRPZAZGT-IEBWSBKVSA-N 0 3 356.470 2.370 10 0 FEAEHN Cc1ccc(OC[C@@H](O)CN2CCC(Nc3cccnn3)CC2)c(C)c1 ZINC000106079987 325577030 /nfs/dbraw/zinc/57/70/30/325577030.db2.gz VFEBQNKKNOTHAD-SFHVURJKSA-N 0 3 356.470 2.410 10 0 FEAEHN Cc1ccccc1OC[C@H](O)CN1CCC(N(C)c2cccnn2)CC1 ZINC000106083228 325577853 /nfs/dbraw/zinc/57/78/53/325577853.db2.gz WIYSTJWCZRVONA-GOSISDBHSA-N 0 3 356.470 2.126 10 0 FEAEHN CN(C)[C@H](CNc1cc(N2CCC[C@@H]2CO)ncn1)c1ccc(F)cc1 ZINC000110249095 325685598 /nfs/dbraw/zinc/68/55/98/325685598.db2.gz QTOZSUQQDQYRAG-IAGOWNOFSA-N 0 3 359.449 2.292 10 0 FEAEHN CN1C(=O)C[C@H](C(=O)N2CC[C@@H](N3CCCC3)C2)[C@@H]1c1ccc(F)cc1 ZINC000245655418 328563878 /nfs/dbraw/zinc/56/38/78/328563878.db2.gz OBYSXCCJLKEDPQ-AOIWGVFYSA-N 0 3 359.445 2.042 10 0 FEAEHN C[C@H](N[C@H]1CCc2ncnn2C1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000114752615 325920976 /nfs/dbraw/zinc/92/09/76/325920976.db2.gz VONZCGXODHBLMY-RYUDHWBXSA-N 0 3 365.840 2.022 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)CCO1 ZINC000116795708 326036419 /nfs/dbraw/zinc/03/64/19/326036419.db2.gz XSGQKDHFQCPTIS-HNNXBMFYSA-N 0 3 367.287 2.270 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NCCSCc2ccccc2F)CCO1 ZINC000117026940 326047888 /nfs/dbraw/zinc/04/78/88/326047888.db2.gz PHPSNBGFYYCPOP-OAHLLOKOSA-N 0 3 355.479 2.031 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2cc(Br)ccc2F)CCO1 ZINC000118822920 326104978 /nfs/dbraw/zinc/10/49/78/326104978.db2.gz RKLBJAUSUSALEE-LLVKDONJSA-N 0 3 360.227 2.383 10 0 FEAEHN CCOCCC1(CNC(=O)NC[C@H](O)CN2CCCCC2)CCCC1 ZINC000119140536 326131037 /nfs/dbraw/zinc/13/10/37/326131037.db2.gz ZDHPHUBRMDCSAG-KRWDZBQOSA-N 0 3 355.523 2.119 10 0 FEAEHN C[C@@H](CNC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)CN1CCN(C)CC1 ZINC000119876974 326207971 /nfs/dbraw/zinc/20/79/71/326207971.db2.gz NVCAPAJBFXYELV-FUHWJXTLSA-N 0 3 374.529 2.472 10 0 FEAEHN Cc1cc(C)n2c(CN(C)[C@H]3CCCN(c4cccnn4)C3)cnc2n1 ZINC000120214394 326240893 /nfs/dbraw/zinc/24/08/93/326240893.db2.gz FKSGCKGMHCXLNB-INIZCTEOSA-N 0 3 351.458 2.237 10 0 FEAEHN CN(Cc1cn(C)nc1-c1ccncc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000120249107 326243762 /nfs/dbraw/zinc/24/37/62/326243762.db2.gz ZGZSZMABOPTVCQ-GOSISDBHSA-N 0 3 363.469 2.373 10 0 FEAEHN O=C(NCc1ccccc1OCC1CC1)NC[C@H](O)CN1CCCCC1 ZINC000121314516 326328784 /nfs/dbraw/zinc/32/87/84/326328784.db2.gz CTXRXCXIXVNNKB-SFHVURJKSA-N 0 3 361.486 2.121 10 0 FEAEHN C[C@@H](NC(=O)NC[C@](C)(O)CN(C)C)c1cccc(Br)c1 ZINC000121509853 326344240 /nfs/dbraw/zinc/34/42/40/326344240.db2.gz UDZDXDPOWHSTMU-ABAIWWIYSA-N 0 3 358.280 2.122 10 0 FEAEHN Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@H](N(C)C)C2)c(Br)c1 ZINC000124010184 326446308 /nfs/dbraw/zinc/44/63/08/326446308.db2.gz AVEMZIUBMPIPQN-WCQYABFASA-N 0 3 361.305 2.328 10 0 FEAEHN CSc1cc(C)ccc1CNC(=O)NC[C@H](O)CN1CCCCC1 ZINC000129368466 326539204 /nfs/dbraw/zinc/53/92/04/326539204.db2.gz ZQWASSCAKINQLM-INIZCTEOSA-N 0 3 351.516 2.363 10 0 FEAEHN Cc1ccc(C(=O)NC2CCN(C[C@H](O)COC(C)(C)C)CC2)s1 ZINC000158048850 326883476 /nfs/dbraw/zinc/88/34/76/326883476.db2.gz HAZCYAGGLVBPAA-HNNXBMFYSA-N 0 3 354.516 2.427 10 0 FEAEHN CC(C)[C@@H](O)CC(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000162051554 327015472 /nfs/dbraw/zinc/01/54/72/327015472.db2.gz PWMOALKTJILIKU-PMACEKPBSA-N 0 3 362.514 2.297 10 0 FEAEHN Cc1ccc(C(=O)NCCC(=O)N[C@@H](CN(C)C)c2ccccc2)c(O)c1 ZINC000170826070 327100685 /nfs/dbraw/zinc/10/06/85/327100685.db2.gz LGQGODOHXUSAKE-SFHVURJKSA-N 0 3 369.465 2.240 10 0 FEAEHN CCCOc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000170844217 327102129 /nfs/dbraw/zinc/10/21/29/327102129.db2.gz XXNVOLWYQSVMTH-ZDUSSCGKSA-N 0 3 353.850 2.230 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C1 ZINC000170859656 327103180 /nfs/dbraw/zinc/10/31/80/327103180.db2.gz SRWDTWVLMSEGBC-ZDUSSCGKSA-N 0 3 365.890 2.050 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)C1 ZINC000171164782 327121746 /nfs/dbraw/zinc/12/17/46/327121746.db2.gz QWWCUKYUEOWQTG-GOSISDBHSA-N 0 3 364.534 2.295 10 0 FEAEHN CN(C)CCOc1ccccc1CNC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171468504 327141512 /nfs/dbraw/zinc/14/15/12/327141512.db2.gz CIFRRQYDRORWBE-SFHVURJKSA-N 0 3 371.485 2.407 10 0 FEAEHN CN(C(=O)NCCc1ccsc1)C1CCN(CCn2cccn2)CC1 ZINC000171758609 327159613 /nfs/dbraw/zinc/15/96/13/327159613.db2.gz ZEAADNHNEAPNKG-UHFFFAOYSA-N 0 3 361.515 2.293 10 0 FEAEHN CN(C(=O)NCc1ccc(F)cc1)C1CCN(CCn2cccn2)CC1 ZINC000171969892 327173632 /nfs/dbraw/zinc/17/36/32/327173632.db2.gz LDBIDIOLIMYAGE-UHFFFAOYSA-N 0 3 359.449 2.328 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NCc2ccc(F)cc2Br)CCO1 ZINC000172127166 327182403 /nfs/dbraw/zinc/18/24/03/327182403.db2.gz HNNJALPPFYYPDI-CYBMUJFWSA-N 0 3 374.254 2.060 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NCc2ccc(F)cc2Br)CCO1 ZINC000172127171 327182414 /nfs/dbraw/zinc/18/24/14/327182414.db2.gz HNNJALPPFYYPDI-ZDUSSCGKSA-N 0 3 374.254 2.060 10 0 FEAEHN CC[C@@H](C)CS(=O)(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000172662651 327213871 /nfs/dbraw/zinc/21/38/71/327213871.db2.gz PFYZRWVBCMRMNW-VQIMIIECSA-N 0 3 368.543 2.398 10 0 FEAEHN C[C@H](NC(=O)Nc1ccn(CCN(C)C)n1)c1ccc2c(c1)OCCO2 ZINC000173924260 327294853 /nfs/dbraw/zinc/29/48/53/327294853.db2.gz QLYIXPQUXVOGQW-ZDUSSCGKSA-N 0 3 359.430 2.099 10 0 FEAEHN Cn1cc([C@@H]2CCCN2C(=O)CCN2CCN(c3ccccc3)CC2)cn1 ZINC000174612537 327338502 /nfs/dbraw/zinc/33/85/02/327338502.db2.gz BJWVWNWZQMHBLI-FQEVSTJZSA-N 0 3 367.497 2.296 10 0 FEAEHN C[C@@H](NC[C@@H](O)c1cccc(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000174659586 327342092 /nfs/dbraw/zinc/34/20/92/327342092.db2.gz WCHOUFOKXQTGOM-BDJLRTHQSA-N 0 3 354.859 2.372 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(N2CCNC2=O)ccc1F ZINC000174969896 327364527 /nfs/dbraw/zinc/36/45/27/327364527.db2.gz BKMVAYYCVNEYKB-DZGCQCFKSA-N 0 3 360.433 2.054 10 0 FEAEHN CCN1CCC[C@H]1CN(C)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000175333422 327387581 /nfs/dbraw/zinc/38/75/81/327387581.db2.gz SADSELVUEFGLRR-INIZCTEOSA-N 0 3 358.486 2.168 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000175350205 327388659 /nfs/dbraw/zinc/38/86/59/327388659.db2.gz PCWZOWUEZWYQGX-MRXNPFEDSA-N 0 3 369.456 2.363 10 0 FEAEHN Cc1cccc2c(CCNC(=O)NC[C@@H](O)CN3CCCCC3)c[nH]c21 ZINC000175434805 327392664 /nfs/dbraw/zinc/39/26/64/327392664.db2.gz ZZTBJFTXISFIEQ-QGZVFWFLSA-N 0 3 358.486 2.165 10 0 FEAEHN CCO[C@H](CCNC(=O)NC[C@H](O)CN1CCCCC1)C1CCCC1 ZINC000176508910 327460160 /nfs/dbraw/zinc/46/01/60/327460160.db2.gz USLMENUHTWBXSO-ZWKOTPCHSA-N 0 3 355.523 2.118 10 0 FEAEHN C[C@@H](NC(=O)[C@@H](N)C1CCOCC1)c1nc2ccccc2n1C(F)F ZINC000261715992 328814128 /nfs/dbraw/zinc/81/41/28/328814128.db2.gz IYMHTXWNCAMBAQ-YGRLFVJLSA-N 0 3 352.385 2.363 10 0 FEAEHN NC1(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)CCOCC1 ZINC000261953854 328831479 /nfs/dbraw/zinc/83/14/79/328831479.db2.gz ZLTABFNSVHVUDM-UHFFFAOYSA-N 0 3 365.433 2.336 10 0 FEAEHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000261964811 328832210 /nfs/dbraw/zinc/83/22/10/328832210.db2.gz AYCWLWVAPYYAEB-FQEVSTJZSA-N 0 3 369.440 2.481 10 0 FEAEHN COc1ccc(-c2nc([C@H]3CNCCN3C)no2)cc1Br ZINC000263231609 328927049 /nfs/dbraw/zinc/92/70/49/328927049.db2.gz NNCSKCUFPIXRSI-LLVKDONJSA-N 0 3 353.220 2.084 10 0 FEAEHN CCCN(CC)C(=O)c1ccc(-c2nc([C@@H]3CNCCN3C)no2)cc1 ZINC000263240671 328927688 /nfs/dbraw/zinc/92/76/88/328927688.db2.gz ONPHHSQRCRHMDJ-INIZCTEOSA-N 0 3 357.458 2.185 10 0 FEAEHN C[C@@H](NC(=O)CN1CCO[C@H](CN(C)C)C1)c1ccc(Cl)c(Cl)c1 ZINC000155298858 545507820 /nfs/dbraw/zinc/50/78/20/545507820.db2.gz LBSJPSRXFJEPBU-TZMCWYRMSA-N 0 3 374.312 2.433 10 0 FEAEHN CC[C@H]1CCCCN1CCNC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000155331986 545512854 /nfs/dbraw/zinc/51/28/54/545512854.db2.gz TVQCJUCHDFNVDW-KRWDZBQOSA-N 0 3 360.506 2.327 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000155445714 545526691 /nfs/dbraw/zinc/52/66/91/545526691.db2.gz YWUSLIOPHDJMBR-ABAIWWIYSA-N 0 3 373.906 2.170 10 0 FEAEHN Cc1coc(-c2cc(NC(=O)C(=O)N3CC[C@H](N(C)C)C3)ccc2C)n1 ZINC000155819302 545573109 /nfs/dbraw/zinc/57/31/09/545573109.db2.gz QZGFKITXYVTNET-HNNXBMFYSA-N 0 3 356.426 2.059 10 0 FEAEHN O=C1CCCN1C[C@@H](O)CN1CCC(Oc2ccccc2Cl)CC1 ZINC000157338049 545728450 /nfs/dbraw/zinc/72/84/50/545728450.db2.gz OSVVFYRJFCMWDI-AWEZNQCLSA-N 0 3 352.862 2.167 10 0 FEAEHN CC(C)(C)OC[C@@H](O)CN1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000157694871 545770471 /nfs/dbraw/zinc/77/04/71/545770471.db2.gz COARBKLRWKJXPX-SFHVURJKSA-N 0 3 366.477 2.330 10 0 FEAEHN CCn1cnnc1[C@@H]1CCCN(C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000158921903 545905537 /nfs/dbraw/zinc/90/55/37/545905537.db2.gz IMBQFYFJTUUDCG-CVEARBPZSA-N 0 3 369.469 2.399 10 0 FEAEHN CCN(C[C@@H](O)COC(C)C)C[C@@H]1CC(c2ccc(OC)cc2)=NO1 ZINC000169678395 546159577 /nfs/dbraw/zinc/15/95/77/546159577.db2.gz QPSWYYRIHKXDNZ-AEFFLSMTSA-N 0 3 350.459 2.296 10 0 FEAEHN O=C1CCCN1C[C@@H](O)CN(Cc1cccc(Br)c1)C1CC1 ZINC000171883079 546228901 /nfs/dbraw/zinc/22/89/01/546228901.db2.gz ORFYOBRRXKEXGW-MRXNPFEDSA-N 0 3 367.287 2.397 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)C1 ZINC000175361724 546309462 /nfs/dbraw/zinc/30/94/62/546309462.db2.gz XWYFTZFGGOJSQQ-RBUKOAKNSA-N 0 3 372.513 2.465 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCCCC(=O)N1Cc2ccccc2C1 ZINC000176352066 546435675 /nfs/dbraw/zinc/43/56/75/546435675.db2.gz DNLJURFTDGKZJF-IBGZPJMESA-N 0 3 372.513 2.435 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc3cnn(C(C)C)c3c2)C1 ZINC000176751223 546483497 /nfs/dbraw/zinc/48/34/97/546483497.db2.gz ZRDTTZYECABRBK-PBHICJAKSA-N 0 3 371.485 2.401 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(OCC3CC3)cc2)C1 ZINC000176753002 546484307 /nfs/dbraw/zinc/48/43/07/546484307.db2.gz BFEWMXHKVQMDBL-KDOFPFPSSA-N 0 3 359.470 2.259 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(COCC2CC2)c1 ZINC000176887883 546501109 /nfs/dbraw/zinc/50/11/09/546501109.db2.gz MRBXWKXHLABJDC-IBGZPJMESA-N 0 3 373.497 2.494 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000176978491 546518251 /nfs/dbraw/zinc/51/82/51/546518251.db2.gz KWXXHNHLEISSIW-MJGOQNOKSA-N 0 3 361.486 2.205 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1 ZINC000176985993 546519348 /nfs/dbraw/zinc/51/93/48/546519348.db2.gz FDCPXSGNROTAQB-GOSISDBHSA-N 0 3 370.497 2.346 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)CNC(=O)Cc1cccc2ccccc21 ZINC000177007694 546523132 /nfs/dbraw/zinc/52/31/32/546523132.db2.gz NYIWBWVWESQNKK-IBGZPJMESA-N 0 3 367.493 2.441 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000177022668 546525564 /nfs/dbraw/zinc/52/55/64/546525564.db2.gz SIGLYILKUFNXIQ-RTBURBONSA-N 0 3 357.498 2.482 10 0 FEAEHN Cc1ccc(C)c(OC[C@H](O)CN2C[C@H](C)[C@H](N3CCOCC3)C2)c1C ZINC000177258081 546580530 /nfs/dbraw/zinc/58/05/30/546580530.db2.gz XTFSLJSXEMFMIC-DFQSSKMNSA-N 0 3 362.514 2.004 10 0 FEAEHN O=C(N[C@@H]1CCCn2ncnc21)N1CCCN(Cc2ccccc2)CC1 ZINC000177345174 546597363 /nfs/dbraw/zinc/59/73/63/546597363.db2.gz NCWPEEUIBFHXDK-QGZVFWFLSA-N 0 3 354.458 2.031 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000177366590 546601120 /nfs/dbraw/zinc/60/11/20/546601120.db2.gz QZOMYNUAXDHROB-SFHVURJKSA-N 0 3 358.486 2.439 10 0 FEAEHN CCCNC(=O)c1cccc(CNC(=O)N(C)C[C@H]2CCCN2CC)c1 ZINC000177398631 546609784 /nfs/dbraw/zinc/60/97/84/546609784.db2.gz UEWKUBXFHXBRLX-GOSISDBHSA-N 0 3 360.502 2.452 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000177519900 546636453 /nfs/dbraw/zinc/63/64/53/546636453.db2.gz XERLVVGWOBCGKG-BXKMTCNYSA-N 0 3 351.516 2.061 10 0 FEAEHN Cc1nc(-c2cccc(NC(=O)C(=O)N3CCN4CCC[C@@H]4C3)c2)oc1C ZINC000177687419 546667273 /nfs/dbraw/zinc/66/72/73/546667273.db2.gz FYKDRZVIYODXAX-QGZVFWFLSA-N 0 3 368.437 2.204 10 0 FEAEHN Cc1nc(-c2ccc(NC(=O)C(=O)N3CCN4CCC[C@@H]4C3)cc2)cs1 ZINC000177690892 546667711 /nfs/dbraw/zinc/66/77/11/546667711.db2.gz LDEOWYODBPUWPD-MRXNPFEDSA-N 0 3 370.478 2.364 10 0 FEAEHN Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177692091 546669283 /nfs/dbraw/zinc/66/92/83/546669283.db2.gz UFJDKFWENYFPJB-SFHVURJKSA-N 0 3 364.449 2.302 10 0 FEAEHN O=C(Nc1ccc(-c2nccs2)cc1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177698195 546670464 /nfs/dbraw/zinc/67/04/64/546670464.db2.gz QTPJLSHBJAYINX-OAHLLOKOSA-N 0 3 356.451 2.055 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000178319198 546774950 /nfs/dbraw/zinc/77/49/50/546774950.db2.gz SUTLDXFCJHZAPY-INIZCTEOSA-N 0 3 356.426 2.066 10 0 FEAEHN CNC(=O)[C@@H](NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)C(C)C ZINC000178443561 546794220 /nfs/dbraw/zinc/79/42/20/546794220.db2.gz FCVPLEAEZVXTGR-ROUUACIJSA-N 0 3 360.502 2.111 10 0 FEAEHN O[C@H](COCc1ccccc1)CN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179498266 546965615 /nfs/dbraw/zinc/96/56/15/546965615.db2.gz ONRRIJZKMHOCMA-MSOLQXFVSA-N 0 3 356.470 2.439 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000181284924 547286944 /nfs/dbraw/zinc/28/69/44/547286944.db2.gz YNRWOKWDBHUWFC-INIZCTEOSA-N 0 3 360.502 2.017 10 0 FEAEHN Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@H](C)c1ccccc1C ZINC000181541870 547331331 /nfs/dbraw/zinc/33/13/31/547331331.db2.gz ZFYLWMGFDXTIRW-CQSZACIVSA-N 0 3 361.467 2.240 10 0 FEAEHN CN(C)C[C@@H]1CN(CCc2cc(Cl)c3c(c2)OCCCO3)CCO1 ZINC000182762122 547548774 /nfs/dbraw/zinc/54/87/74/547548774.db2.gz XDSPCRYQLVBCIA-OAHLLOKOSA-N 0 3 354.878 2.306 10 0 FEAEHN COc1ccc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)nc1Br ZINC000183131387 547607357 /nfs/dbraw/zinc/60/73/57/547607357.db2.gz LMFCKKLYIGXUAR-GHMZBOCLSA-N 0 3 354.248 2.161 10 0 FEAEHN O=C(Nc1ccc(Cl)cc1OC(F)F)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000183560432 547681036 /nfs/dbraw/zinc/68/10/36/547681036.db2.gz ZFACCOWGYREJQI-LLVKDONJSA-N 0 3 373.787 2.187 10 0 FEAEHN C[C@H]1C[C@H](N(C)C(=O)NCC(=O)NCC2CC2)CCN1Cc1ccccc1 ZINC000183775466 547718847 /nfs/dbraw/zinc/71/88/47/547718847.db2.gz SMLBYAFHOXAEDF-QFBILLFUSA-N 0 3 372.513 2.207 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)C1 ZINC000184165492 547780160 /nfs/dbraw/zinc/78/01/60/547780160.db2.gz XYWJWNJTBICISV-KRWDZBQOSA-N 0 3 372.469 2.332 10 0 FEAEHN COCc1c(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cnn1-c1ccccc1 ZINC000185831748 548042463 /nfs/dbraw/zinc/04/24/63/548042463.db2.gz YQPMGMXFGRQBKM-QAPCUYQASA-N 0 3 356.470 2.477 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Nc2cc(C(C)C)nn2-c2ncccn2)C1 ZINC000190041007 548316290 /nfs/dbraw/zinc/31/62/90/548316290.db2.gz AYLAMMYGGMQKOW-CQSZACIVSA-N 0 3 357.462 2.392 10 0 FEAEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)Nc1ccncn1 ZINC000194195601 548447736 /nfs/dbraw/zinc/44/77/36/548447736.db2.gz LEYQSGYQJFMECM-SFHVURJKSA-N 0 3 369.469 2.386 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)C1 ZINC000194330701 548466512 /nfs/dbraw/zinc/46/65/12/548466512.db2.gz XVUBHYHVPSIKIL-OAHLLOKOSA-N 0 3 360.458 2.428 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(CC(=O)N2CCC[C@H](C)C2)C1 ZINC000195256839 548605596 /nfs/dbraw/zinc/60/55/96/548605596.db2.gz DGEHBFXLJCMNST-RDJZCZTQSA-N 0 3 364.559 2.464 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000195288030 548613357 /nfs/dbraw/zinc/61/33/57/548613357.db2.gz KWMCDDCRGHRFQX-APWZRJJASA-N 0 3 356.445 2.201 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(CC(=O)N2CCc3ccccc32)C1 ZINC000195294458 548614815 /nfs/dbraw/zinc/61/48/15/548614815.db2.gz JGIWHEAPZCLGIC-LJQANCHMSA-N 0 3 364.493 2.425 10 0 FEAEHN CS(=O)(=O)c1ccc(OCCCN2CCC(c3ccn[nH]3)CC2)cc1 ZINC000195506962 548651572 /nfs/dbraw/zinc/65/15/72/548651572.db2.gz USWAJHCYSCRLCG-UHFFFAOYSA-N 0 3 363.483 2.462 10 0 FEAEHN COc1ccc(OC)c([C@@H](C)NC(=O)CN2CCC(c3ccn[nH]3)CC2)c1 ZINC000195505880 548652357 /nfs/dbraw/zinc/65/23/57/548652357.db2.gz WXKXJPLKIWFDIS-CQSZACIVSA-N 0 3 372.469 2.484 10 0 FEAEHN COC(=O)c1ccccc1N(C)C(=O)CN1CCC(c2ccn[nH]2)CC1 ZINC000195513352 548653737 /nfs/dbraw/zinc/65/37/37/548653737.db2.gz QFSPMQVMPPQJND-UHFFFAOYSA-N 0 3 356.426 2.039 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)C[C@@H](NC(C)=O)c2c(F)cccc2F)C1 ZINC000245406611 548909619 /nfs/dbraw/zinc/90/96/19/548909619.db2.gz XYASGJIGIGGEIX-CZUORRHYSA-N 0 3 353.413 2.133 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)C1 ZINC000245747844 548987152 /nfs/dbraw/zinc/98/71/52/548987152.db2.gz ANFWQCUQWJMVQV-BRWVUGGUSA-N 0 3 350.894 2.431 10 0 FEAEHN CCN(Cc1ccccc1)C(=O)[C@H](C)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246185382 549071619 /nfs/dbraw/zinc/07/16/19/549071619.db2.gz UQNZXRTUPVGBRY-BJLQDIEVSA-N 0 3 359.514 2.076 10 0 FEAEHN Cc1cc(C)cc(OC[C@H](O)CN(C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000246217509 549081347 /nfs/dbraw/zinc/08/13/47/549081347.db2.gz AXEXIFSTZNCERQ-RBUKOAKNSA-N 0 3 370.497 2.434 10 0 FEAEHN COc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000246301148 549099722 /nfs/dbraw/zinc/09/97/22/549099722.db2.gz DBTVPOYADJGTSD-BXUZGUMPSA-N 0 3 353.850 2.132 10 0 FEAEHN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c(F)c1 ZINC000246505960 549148264 /nfs/dbraw/zinc/14/82/64/549148264.db2.gz SJHWUSKOIVHSAS-CXAGYDPISA-N 0 3 365.449 2.396 10 0 FEAEHN O[C@@H](COc1cccc2[nH]ccc21)CN1CC[C@@H](Oc2cccnc2)C1 ZINC000246511442 549150105 /nfs/dbraw/zinc/15/01/05/549150105.db2.gz FJFNQJCGRHVBAI-NVXWUHKLSA-N 0 3 353.422 2.456 10 0 FEAEHN C[C@@H](c1ccc(NC(=O)N2CCN3CCC[C@H]3C2)cc1)N1CCOCC1 ZINC000246809953 549218501 /nfs/dbraw/zinc/21/85/01/549218501.db2.gz ZPTDTWCTRODVLD-LPHOPBHVSA-N 0 3 358.486 2.392 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cccc(C(=O)N2CCCC2)n1 ZINC000246850196 549227294 /nfs/dbraw/zinc/22/72/94/549227294.db2.gz CIUMQRBCYHHPLM-CVEARBPZSA-N 0 3 356.470 2.016 10 0 FEAEHN CC(C)N1CCC[C@@H](NC[C@H](c2cccs2)N2CCO[C@H](C)C2)C1=O ZINC000247115899 549285025 /nfs/dbraw/zinc/28/50/25/549285025.db2.gz WZPBMDPUAXUMJS-BRWVUGGUSA-N 0 3 365.543 2.499 10 0 FEAEHN CCOCCN1CCN(C[C@@H](O)COc2ccc(C)cc2C)C[C@H]1CC ZINC000247813590 549384861 /nfs/dbraw/zinc/38/48/61/549384861.db2.gz VOJOYVKUYBUZDX-WOJBJXKFSA-N 0 3 364.530 2.476 10 0 FEAEHN CC[C@@H]1CN(C[C@@H](O)COc2ccc3ccccc3c2)CCN1C[C@@H](C)O ZINC000247880319 549389872 /nfs/dbraw/zinc/38/98/72/549389872.db2.gz ZFQVHAROSKKBBK-DUXKGJEZSA-N 0 3 372.509 2.357 10 0 FEAEHN Cc1cccc(N2CCN(C(=O)CN3CC[C@]4(O)CCCC[C@H]4C3)CC2)c1 ZINC000248170653 549414346 /nfs/dbraw/zinc/41/43/46/549414346.db2.gz USLIKSMGWDXEEU-SIKLNZKXSA-N 0 3 371.525 2.271 10 0 FEAEHN CC[C@@H]1CN(C[C@@H](O)COc2cc(C)ccc2Cl)CCN1C[C@H](C)O ZINC000248582753 549463436 /nfs/dbraw/zinc/46/34/36/549463436.db2.gz PCXCAKLTSNLKOZ-GVDBMIGSSA-N 0 3 370.921 2.165 10 0 FEAEHN CC(C)N(C)C(=O)[C@@H](C)N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248602301 549466079 /nfs/dbraw/zinc/46/60/79/549466079.db2.gz OGHKAEKGFDLJNV-QKPAOTATSA-N 0 3 353.507 2.477 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN([C@H](C)C(=O)NCC(C)C)C1 ZINC000248646852 549476539 /nfs/dbraw/zinc/47/65/39/549476539.db2.gz HVHQIOMOZXFCDR-HZPDHXFCSA-N 0 3 352.548 2.366 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cc(N3C[C@@H](C)O[C@@H](C)C3)ccn2)C1 ZINC000248835892 549510358 /nfs/dbraw/zinc/51/03/58/549510358.db2.gz OBNGMSDODLUMTL-OAFZBRQQSA-N 0 3 360.502 2.154 10 0 FEAEHN CC[C@H](C)Oc1ccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1 ZINC000249160829 549562467 /nfs/dbraw/zinc/56/24/67/549562467.db2.gz JFBTXUYHPXDNET-VYDXJSESSA-N 0 3 359.470 2.498 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1OC(F)F ZINC000249182543 549565636 /nfs/dbraw/zinc/56/56/36/549565636.db2.gz NMIUFQIQBIOWAX-JQWIXIFHSA-N 0 3 371.359 2.061 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc2cnn(CC)c2c1 ZINC000249198687 549568268 /nfs/dbraw/zinc/56/82/68/549568268.db2.gz QOGBLXJCXWQGHL-SJORKVTESA-N 0 3 369.469 2.080 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c2cccnc12 ZINC000249232777 549571221 /nfs/dbraw/zinc/57/12/21/549571221.db2.gz VSVFTZLVVJTNSS-CABCVRRESA-N 0 3 352.438 2.177 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000249238093 549572285 /nfs/dbraw/zinc/57/22/85/549572285.db2.gz WFXMMBPRVQSOBN-HOTGVXAUSA-N 0 3 367.453 2.100 10 0 FEAEHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCCN(CC)C2)C1 ZINC000250572751 549642537 /nfs/dbraw/zinc/64/25/37/549642537.db2.gz YASRAJWFGHMKLG-BBWFWOEESA-N 0 3 352.523 2.197 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc([S@@](C)=O)cc2)C1 ZINC000251994953 549658923 /nfs/dbraw/zinc/65/89/23/549658923.db2.gz VQIYHZVGQZMDKN-MRDQGFSESA-N 0 3 371.506 2.413 10 0 FEAEHN CN(Cc1ccncc1)C[C@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)O1 ZINC000257192167 549715686 /nfs/dbraw/zinc/71/56/86/549715686.db2.gz SSKZIHVLTAQPHV-HXUWFJFHSA-N 0 3 369.513 2.461 10 0 FEAEHN C[C@H](NC(=O)C1(N)CCOCC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000261654525 549739870 /nfs/dbraw/zinc/73/98/70/549739870.db2.gz ARQYUUVCUNYASP-AWEZNQCLSA-N 0 3 368.437 2.019 10 0 FEAEHN NC1(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)CCOCC1 ZINC000261845787 549761563 /nfs/dbraw/zinc/76/15/63/549761563.db2.gz LZAUEGFDEJVEMO-UHFFFAOYSA-N 0 3 373.432 2.257 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)[C@H](N)COC)c1ccc(C(F)(F)F)cc1 ZINC000262171592 549795389 /nfs/dbraw/zinc/79/53/89/549795389.db2.gz AUZDGYQNZNCMBX-HUUCEWRRSA-N 0 3 361.408 2.178 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(Cc2csc(-c3cccc(F)c3)n2)n1 ZINC000263171291 549883290 /nfs/dbraw/zinc/88/32/90/549883290.db2.gz FTBCAIYOBCDMHO-CQSZACIVSA-N 0 3 359.430 2.499 10 0 FEAEHN CC(C)c1ccc(N2CC[C@H](c3nc([C@H]4CNCCN4C)no3)C2=O)cc1 ZINC000263218821 549886557 /nfs/dbraw/zinc/88/65/57/549886557.db2.gz LMLHUVIIARQWEC-IAGOWNOFSA-N 0 3 369.469 2.290 10 0 FEAEHN CN1CCNC[C@H]1c1noc(CCc2ccccc2Br)n1 ZINC000263223049 549886610 /nfs/dbraw/zinc/88/66/10/549886610.db2.gz MFJRNTQCIKBGDP-ZDUSSCGKSA-N 0 3 351.248 2.193 10 0 FEAEHN CN(c1ccccc1)c1ccc(-c2nc([C@@H]3CNCCN3C)no2)cn1 ZINC000263260589 549890287 /nfs/dbraw/zinc/89/02/87/549890287.db2.gz QWWCQZXAGQSVCW-INIZCTEOSA-N 0 3 350.426 2.476 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(Cn2c3ccccc3nc2C(F)(F)F)n1 ZINC000263269712 549890679 /nfs/dbraw/zinc/89/06/79/549890679.db2.gz SBFXVXSZUMMMOH-GFCCVEGCSA-N 0 3 366.347 2.063 10 0 FEAEHN CN1CCNC[C@H]1c1noc(C2(c3ccc(Br)cc3)CC2)n1 ZINC000263274180 549891342 /nfs/dbraw/zinc/89/13/42/549891342.db2.gz SOLADKQGALORJR-ZDUSSCGKSA-N 0 3 363.259 2.488 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2sccc2NC(=O)c2ccncc2)n1 ZINC000263313385 549894137 /nfs/dbraw/zinc/89/41/37/549894137.db2.gz ZCNNSFWUOSGQQE-CYBMUJFWSA-N 0 3 370.438 2.022 10 0 FEAEHN Cn1ccnc(N2CCC[C@H](NCc3ccc4c(c3)CC(C)(C)O4)C2)c1=O ZINC000328633250 553799807 /nfs/dbraw/zinc/79/98/07/553799807.db2.gz LXLNEGVFHIIQCK-KRWDZBQOSA-N 0 3 368.481 2.252 10 0 FEAEHN C[C@H](C(=O)N1CCCc2ccccc21)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000374070901 557817913 /nfs/dbraw/zinc/81/79/13/557817913.db2.gz WJRXFWUJGGOWNI-MCYKXBRJSA-N 0 3 358.482 2.216 10 0 FEAEHN Cc1ccc([C@H](C)NC(=O)NC[C@H](C)CN2CCN(C)CC2)cc1F ZINC000087134385 670685871 /nfs/dbraw/zinc/68/58/71/670685871.db2.gz UZVIVSIGHYXARU-HOCLYGCPSA-N 0 3 350.482 2.378 10 0 FEAEHN CC[C@H]1CN(Cc2cc(OC)ccc2OCOC)CCN1CCOC ZINC000120959893 671939514 /nfs/dbraw/zinc/93/95/14/671939514.db2.gz KGFIPMDCWOKILN-KRWDZBQOSA-N 0 3 352.475 2.221 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000193040651 672710667 /nfs/dbraw/zinc/71/06/67/672710667.db2.gz DFIGEDLIFKSNAY-LBPRGKRZSA-N 0 3 360.380 2.131 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000194322725 672756151 /nfs/dbraw/zinc/75/61/51/672756151.db2.gz MCNJAARKUNIGSM-LBPRGKRZSA-N 0 3 361.414 2.289 10 0 FEAEHN CC(C)(C)OC(=O)N1C[C@@H](CNCc2cc(F)c(F)c(F)c2)[C@H](O)C1 ZINC000702761120 673058503 /nfs/dbraw/zinc/05/85/03/673058503.db2.gz ANKLIVZZDBXDKT-BXUZGUMPSA-N 0 3 360.376 2.421 10 0 FEAEHN CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC(c2nccs2)CC1 ZINC000638095736 677139783 /nfs/dbraw/zinc/13/97/83/677139783.db2.gz HQEPQMYZVDSSLC-QGZVFWFLSA-N 0 3 358.511 2.308 10 0 FEAEHN Cc1cc(C)cc(C(=O)NCC(=O)N[C@H](CN(C)C)c2ccccc2)c1 ZINC000052555010 540473365 /nfs/dbraw/zinc/47/33/65/540473365.db2.gz FXJCWUYQIIRHQE-LJQANCHMSA-N 0 3 353.466 2.452 10 0 FEAEHN CN(C)C[C@@H](NC(=O)Cc1csc(N2CCCC2=O)n1)c1ccccc1 ZINC000052556413 540473381 /nfs/dbraw/zinc/47/33/81/540473381.db2.gz LVKHFBWBKHNSFW-MRXNPFEDSA-N 0 3 372.494 2.232 10 0 FEAEHN COCCN([C@H](C)COC)[C@@H](CN)c1ccc(Br)s1 ZINC000042606584 209261108 /nfs/dbraw/zinc/26/11/08/209261108.db2.gz VECRCTLVIVQYBG-MNOVXSKESA-N 0 3 351.310 2.494 10 0 FEAEHN Cc1cc(CN2CCC([C@@]3(c4cccnc4)NC(=O)NC3=O)CC2)oc1C ZINC000067691515 541499039 /nfs/dbraw/zinc/49/90/39/541499039.db2.gz FYOVPDKZFZSSEQ-FQEVSTJZSA-N 0 3 368.437 2.238 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCC(c3nnc4ccccn43)CC2)C1 ZINC000247393920 549327886 /nfs/dbraw/zinc/32/78/86/549327886.db2.gz QPWUODRYCJCSTO-NVXWUHKLSA-N 0 3 370.501 2.347 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000247411108 549330572 /nfs/dbraw/zinc/33/05/72/549330572.db2.gz QBZDKFKELWDCJN-HOCLYGCPSA-N 0 3 358.438 2.116 10 0 FEAEHN Cc1ccc(CN(CCN2CCOCC2)C[C@H](O)COC(C)(C)C)s1 ZINC000036100916 208145719 /nfs/dbraw/zinc/14/57/19/208145719.db2.gz XTEJYKFFELSOAH-KRWDZBQOSA-N 0 3 370.559 2.367 10 0 FEAEHN O=C([C@H](c1cccnc1)N1CCCC1)N1CCC(N2CCSCC2)CC1 ZINC000095373636 209034825 /nfs/dbraw/zinc/03/48/25/209034825.db2.gz LUCRIMBVBUWWJT-IBGZPJMESA-N 0 3 374.554 2.258 10 0 FEAEHN O=c1[nH]c2cccnc2c(=O)n1C[C@H]1CCCN(Cc2cccs2)C1 ZINC000095442929 209050559 /nfs/dbraw/zinc/05/05/59/209050559.db2.gz XKWLCWSFXZMQGZ-ZDUSSCGKSA-N 0 3 356.451 2.059 10 0 FEAEHN Cc1ccc(-c2nc(CC3CCN(C)CC3)nn2C)cc1N1CCNC1=O ZINC000095511160 209069267 /nfs/dbraw/zinc/06/92/67/209069267.db2.gz BBIPLVUSYHPSDF-UHFFFAOYSA-N 0 3 368.485 2.204 10 0 FEAEHN Nc1ncnc2c1ncn2CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000005161770 132377534 /nfs/dbraw/zinc/37/75/34/132377534.db2.gz BYSZERQSUKGGII-UHFFFAOYSA-N 0 3 371.876 2.274 10 0 FEAEHN CN(C)CCOc1ccc(CNC(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000105113806 543159419 /nfs/dbraw/zinc/15/94/19/543159419.db2.gz LDGAWMDZJGKQMD-SFHVURJKSA-N 0 3 360.502 2.007 10 0 FEAEHN CC(=O)Nc1cccc(OCCNC(=O)N[C@H](CC(C)C)CN(C)C)c1 ZINC000105148473 543161793 /nfs/dbraw/zinc/16/17/93/543161793.db2.gz GEYJLJJPBYNUAO-QGZVFWFLSA-N 0 3 364.490 2.299 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)C1 ZINC000105174542 543163081 /nfs/dbraw/zinc/16/30/81/543163081.db2.gz QBTLRRROBZHIEN-SFHVURJKSA-N 0 3 364.534 2.151 10 0 FEAEHN CN(C)CCOc1ccccc1CNC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000105205421 543164222 /nfs/dbraw/zinc/16/42/22/543164222.db2.gz FWZBRUSAFVNHFM-GOSISDBHSA-N 0 3 360.502 2.007 10 0 FEAEHN Cc1ccc(C)c(OC[C@H](O)CN(C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000106074991 543189988 /nfs/dbraw/zinc/18/99/88/543189988.db2.gz HTWNLZDBCDAIMK-RTBURBONSA-N 0 3 370.497 2.434 10 0 FEAEHN CC[C@H]1CN(CCCOc2ccc3c(c2)OCO3)CCN1CCOC ZINC000106113425 543201182 /nfs/dbraw/zinc/20/11/82/543201182.db2.gz YQPXHWPYHDFIIN-INIZCTEOSA-N 0 3 350.459 2.227 10 0 FEAEHN CC(C)N(Cc1ccccc1)C(=O)CN1CCC[C@H](Cn2cncn2)C1 ZINC000106174824 543212353 /nfs/dbraw/zinc/21/23/53/543212353.db2.gz JZJXLXUZQLWXSS-IBGZPJMESA-N 0 3 355.486 2.427 10 0 FEAEHN CCc1nccn1[C@@H]1CCCN(CCN2C(=O)c3ccccc3C2=O)C1 ZINC000106217665 543219252 /nfs/dbraw/zinc/21/92/52/543219252.db2.gz SJPRAQLVDXYZPZ-OAHLLOKOSA-N 0 3 352.438 2.379 10 0 FEAEHN CCN1CCN(CCCNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000109086836 543313501 /nfs/dbraw/zinc/31/35/01/543313501.db2.gz PBWISFMCWBTQKH-HZPDHXFCSA-N 0 3 351.441 2.212 10 0 FEAEHN CN(C(=O)Cn1ccc2ccccc21)C1CCN(CCn2cccn2)CC1 ZINC000109291449 543320505 /nfs/dbraw/zinc/32/05/05/543320505.db2.gz IDTZFLLNNLPWIB-UHFFFAOYSA-N 0 3 365.481 2.461 10 0 FEAEHN O=C1CCCN1C[C@@H](O)CN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000111691324 543412064 /nfs/dbraw/zinc/41/20/64/543412064.db2.gz SMTGZNJKKLGGQN-PKOBYXMFSA-N 0 3 366.889 2.069 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@H](C)C(=O)NC[C@@H](C)c1ccccc1)CC2 ZINC000112550907 543451460 /nfs/dbraw/zinc/45/14/60/543451460.db2.gz LNUXINWBVHLJCP-BFYDXBDKSA-N 0 3 355.486 2.053 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C)CC2 ZINC000112550833 543451484 /nfs/dbraw/zinc/45/14/84/543451484.db2.gz HPOJTPCKVONWFX-HRCADAONSA-N 0 3 355.486 2.319 10 0 FEAEHN Cc1cnn(CCN[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)c1 ZINC000113932609 543498981 /nfs/dbraw/zinc/49/89/81/543498981.db2.gz GVVYXARTFUATKE-HNNXBMFYSA-N 0 3 368.359 2.485 10 0 FEAEHN CCc1csc([C@H]2CCCN(C(=O)NCCN(C)CCOC)C2)n1 ZINC000113612649 543492611 /nfs/dbraw/zinc/49/26/11/543492611.db2.gz PXXACHALMGHLFJ-AWEZNQCLSA-N 0 3 354.520 2.173 10 0 FEAEHN C[C@H](NC(C)(C)CNC(=O)N[C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000113625809 543493530 /nfs/dbraw/zinc/49/35/30/543493530.db2.gz ZLTCCVRYLKCUJB-HOCLYGCPSA-N 0 3 356.474 2.022 10 0 FEAEHN O=C(Cc1ccccc1O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000115157703 543553149 /nfs/dbraw/zinc/55/31/49/543553149.db2.gz BUTZOKBNTQZWPT-OAQYLSRUSA-N 0 3 368.477 2.497 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NCCOc2ccccc2C(C)(C)C)CCO1 ZINC000117048079 543622533 /nfs/dbraw/zinc/62/25/33/543622533.db2.gz QWIWUWWBHFANOZ-INIZCTEOSA-N 0 3 363.502 2.335 10 0 FEAEHN CC[C@H]1CN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CCN1CCOC ZINC000117300301 543629037 /nfs/dbraw/zinc/62/90/37/543629037.db2.gz FLQPJRVXFZNWAO-PMACEKPBSA-N 0 3 359.514 2.220 10 0 FEAEHN CC[C@](C)(O)CN1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000123509123 543765962 /nfs/dbraw/zinc/76/59/62/543765962.db2.gz SESJIPCONGHNRE-RBZFPXEDSA-N 0 3 360.454 2.462 10 0 FEAEHN CN(C)C[C@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1 ZINC000124310979 543813440 /nfs/dbraw/zinc/81/34/40/543813440.db2.gz OKOZJQVUYGJKRD-SFTDATJTSA-N 0 3 367.493 2.307 10 0 FEAEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)Nc1ccnn1C ZINC000124757252 543841385 /nfs/dbraw/zinc/84/13/85/543841385.db2.gz ODTPFRNTKJDKJG-GOSISDBHSA-N 0 3 371.485 2.329 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)C1 ZINC000125811870 543902905 /nfs/dbraw/zinc/90/29/05/543902905.db2.gz XGXBPPNMIKCYDQ-HNNXBMFYSA-N 0 3 373.457 2.270 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000247492389 549343599 /nfs/dbraw/zinc/34/35/99/549343599.db2.gz WZHSGTLFAWOMPS-GXTWGEPZSA-N 0 3 350.488 2.114 10 0 FEAEHN Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000128456376 544053381 /nfs/dbraw/zinc/05/33/81/544053381.db2.gz IWHTYRGKNRPAGF-MRXNPFEDSA-N 0 3 359.474 2.175 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000128963157 544083256 /nfs/dbraw/zinc/08/32/56/544083256.db2.gz ZCJPDEAKYYGUBZ-RDJZCZTQSA-N 0 3 365.543 2.374 10 0 FEAEHN CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CCCN1CC(C)C ZINC000129289060 544104107 /nfs/dbraw/zinc/10/41/07/544104107.db2.gz HQMNJJYKLIRHOM-OAHLLOKOSA-N 0 3 365.449 2.400 10 0 FEAEHN CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)c1 ZINC000130612317 544157704 /nfs/dbraw/zinc/15/77/04/544157704.db2.gz OPAXOQPZBQGINO-AEFFLSMTSA-N 0 3 361.486 2.134 10 0 FEAEHN CN(CC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1CCn2ccnc2C1 ZINC000130829802 544167084 /nfs/dbraw/zinc/16/70/84/544167084.db2.gz AFTRVLCWMCSERJ-QGZVFWFLSA-N 0 3 353.470 2.216 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000131619260 544198111 /nfs/dbraw/zinc/19/81/11/544198111.db2.gz GHNSYZOPJLCNNK-KRWDZBQOSA-N 0 3 362.499 2.106 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCCN(Cc3cscn3)CC2)C1 ZINC000132454332 544231601 /nfs/dbraw/zinc/23/16/01/544231601.db2.gz JARCEMBVCPBRHE-WBVHZDCISA-N 0 3 365.547 2.089 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000133249893 544261779 /nfs/dbraw/zinc/26/17/79/544261779.db2.gz WUEZYZIKIBFAFZ-IAGOWNOFSA-N 0 3 360.502 2.400 10 0 FEAEHN CCOc1ccc(NC(=O)CCN2CCN(C[C@@H](C)O)[C@@H](CC)C2)cc1 ZINC000137128582 544385046 /nfs/dbraw/zinc/38/50/46/544385046.db2.gz GYUALVUHGDDGMJ-AEFFLSMTSA-N 0 3 363.502 2.191 10 0 FEAEHN CCC[C@H](C(=O)NCCNC(=O)c1ccc(Br)cc1)N(C)C ZINC000137735349 544392617 /nfs/dbraw/zinc/39/26/17/544392617.db2.gz LZLPSWZWNRTDNJ-CQSZACIVSA-N 0 3 370.291 2.025 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(OC(F)F)c(F)c2)C1 ZINC000150786850 544471213 /nfs/dbraw/zinc/47/12/13/544471213.db2.gz IGQQUXCIWUIQGH-MFKMUULPSA-N 0 3 373.375 2.211 10 0 FEAEHN CC(C)C(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000150791243 544472734 /nfs/dbraw/zinc/47/27/34/544472734.db2.gz DLWUEFGXBLVNEJ-PBHICJAKSA-N 0 3 374.485 2.065 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)Cc2ccccc2C(F)(F)F)CCN1C[C@@H](C)O ZINC000152941145 544713752 /nfs/dbraw/zinc/71/37/52/544713752.db2.gz XUQGDCJJIOKLBJ-DJIMGWMZSA-N 0 3 374.447 2.386 10 0 FEAEHN CCN(CC(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1)C1CC1 ZINC000153420566 544773362 /nfs/dbraw/zinc/77/33/62/544773362.db2.gz KWJQLEPVFQVJMP-OAQYLSRUSA-N 0 3 373.541 2.375 10 0 FEAEHN CN(c1cccnn1)C1CCN(C[C@H](O)COCc2cccs2)CC1 ZINC000155053284 544982391 /nfs/dbraw/zinc/98/23/91/544982391.db2.gz PVIYMBNULZZVNK-INIZCTEOSA-N 0 3 362.499 2.016 10 0 FEAEHN Cc1cc(CN2CCC(n3cc(CO)nn3)CC2)c(C)n1-c1cccnc1 ZINC000019782065 263376959 /nfs/dbraw/zinc/37/69/59/263376959.db2.gz LQOUFQHGDHKBLI-UHFFFAOYSA-N 0 3 366.469 2.410 10 0 FEAEHN COC(=O)[C@@H]1CCCCN1C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000179732576 327657645 /nfs/dbraw/zinc/65/76/45/327657645.db2.gz MNOIQVRMEBPYAG-IBGZPJMESA-N 0 3 374.481 2.059 10 0 FEAEHN CC(C)c1nnc2n1C[C@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)CC2 ZINC000180515251 327689113 /nfs/dbraw/zinc/68/91/13/327689113.db2.gz ATLQDYCOALAXNR-UKRRQHHQSA-N 0 3 362.499 2.471 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000180598590 327692863 /nfs/dbraw/zinc/69/28/63/327692863.db2.gz AVDPPJDHWPIPQB-DOTOQJQBSA-N 0 3 365.449 2.185 10 0 FEAEHN COC(=O)Cn1cc(CCN[C@@H](C)c2ccccc2Br)nn1 ZINC000181574617 327736810 /nfs/dbraw/zinc/73/68/10/327736810.db2.gz KXAKSTWKBVVHFT-NSHDSACASA-N 0 3 367.247 2.107 10 0 FEAEHN CCN1CCN(c2cccc(NC(=O)NCCn3cc(C)cn3)c2)CC1 ZINC000184886201 327887468 /nfs/dbraw/zinc/88/74/68/327887468.db2.gz QVJBGBLCLBTEBO-UHFFFAOYSA-N 0 3 356.474 2.155 10 0 FEAEHN CCO[C@@H]1C[C@@H](N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)C12CCOCC2 ZINC000185003405 327894537 /nfs/dbraw/zinc/89/45/37/327894537.db2.gz JGLDDBLZSYGLEW-GVDBMIGSSA-N 0 3 366.889 2.300 10 0 FEAEHN CCO[C@H]1C[C@H](NC(=O)N(CCN(C)C)CC(C)C)C12CCOCC2 ZINC000185679146 327927510 /nfs/dbraw/zinc/92/75/10/327927510.db2.gz NYMSZXFNSXZWAW-IRXDYDNUSA-N 0 3 355.523 2.190 10 0 FEAEHN CCO[C@H]1C[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)C12CCOCC2 ZINC000185695268 327928183 /nfs/dbraw/zinc/92/81/83/327928183.db2.gz KVXFNVQCVYJQDP-MSOLQXFVSA-N 0 3 365.518 2.230 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)N[C@@H](C)CN2CCCCC2)C12CCOCC2 ZINC000185810279 327933923 /nfs/dbraw/zinc/93/39/23/327933923.db2.gz CVCYQFGGTSUUKJ-YESZJQIVSA-N 0 3 353.507 2.134 10 0 FEAEHN CNC(=O)[C@H](NC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)C(C)C ZINC000187231076 328010148 /nfs/dbraw/zinc/01/01/48/328010148.db2.gz VRTBPZDQBYTSIV-YLJYHZDGSA-N 0 3 360.502 2.111 10 0 FEAEHN CC(C)c1nnc(CN(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)n1C ZINC000188274398 328077295 /nfs/dbraw/zinc/07/72/95/328077295.db2.gz WPDOQYUTNKNXTR-FQEVSTJZSA-N 0 3 357.502 2.007 10 0 FEAEHN CCN(C[C@H]1CCN(C(=O)N[C@H]2CCCN(CC)C2)C1)CC(F)(F)F ZINC000188480283 328089790 /nfs/dbraw/zinc/08/97/90/328089790.db2.gz YYRALWMXBWRQDJ-CABCVRRESA-N 0 3 364.456 2.386 10 0 FEAEHN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCN3CCC2CC3)C1 ZINC000188608285 328098085 /nfs/dbraw/zinc/09/80/85/328098085.db2.gz YLKBZQKJPPYLJG-CABCVRRESA-N 0 3 351.491 2.377 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)N1CC(NC(=O)C2CCC2)C1)c1ccccc1 ZINC000188774519 328110107 /nfs/dbraw/zinc/11/01/07/328110107.db2.gz NMQCXZDAWBGUQB-IBGZPJMESA-N 0 3 372.513 2.380 10 0 FEAEHN C[C@H]1OCCC[C@H]1C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000188894139 328116245 /nfs/dbraw/zinc/11/62/45/328116245.db2.gz RPSMHGOTYFKETQ-RDTXWAMCSA-N 0 3 359.470 2.138 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CCO1 ZINC000189641031 328159497 /nfs/dbraw/zinc/15/94/97/328159497.db2.gz SZUYPVOVZUPNPN-JTQLQIEISA-N 0 3 354.863 2.194 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000190074669 328186063 /nfs/dbraw/zinc/18/60/63/328186063.db2.gz ZKUGTTQVCNKEHC-CMPLNLGQSA-N 0 3 371.359 2.061 10 0 FEAEHN Cc1ccc2cccc(NC(=O)C(=O)N3C[C@H]4CCCN4C[C@@H]3C)c2n1 ZINC000190080569 328186293 /nfs/dbraw/zinc/18/62/93/328186293.db2.gz ACQRELJSCTWBAP-GOEBONIOSA-N 0 3 352.438 2.177 10 0 FEAEHN Cc1ccc(CNC(=O)N2CC[C@H](N(C)C)C2)c(-n2cc(Cl)cn2)n1 ZINC000190405021 328205769 /nfs/dbraw/zinc/20/57/69/328205769.db2.gz DQAOVKBDYNTMAE-HNNXBMFYSA-N 0 3 362.865 2.075 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000190516423 328213096 /nfs/dbraw/zinc/21/30/96/328213096.db2.gz XTRKUIQRXHMGDU-QGZVFWFLSA-N 0 3 364.559 2.464 10 0 FEAEHN CCN(CC)C(=O)[C@H](C)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190502726 328211986 /nfs/dbraw/zinc/21/19/86/328211986.db2.gz VPHPPJHHPUBNRV-IRXDYDNUSA-N 0 3 369.550 2.371 10 0 FEAEHN CCN(CC)C(=O)[C@@H](C)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190502708 328212026 /nfs/dbraw/zinc/21/20/26/328212026.db2.gz VPHPPJHHPUBNRV-SJORKVTESA-N 0 3 369.550 2.371 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000190578644 328217438 /nfs/dbraw/zinc/21/74/38/328217438.db2.gz HCBDJEKIFGWYEJ-SFHVURJKSA-N 0 3 367.449 2.333 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2)C1 ZINC000190601245 328218898 /nfs/dbraw/zinc/21/88/98/328218898.db2.gz HCJDKPDYHUGCKR-KRWDZBQOSA-N 0 3 352.438 2.001 10 0 FEAEHN C[C@@H]1CN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCS1 ZINC000190737315 328229140 /nfs/dbraw/zinc/22/91/40/328229140.db2.gz HMVYSKHYYMKIFQ-AEFFLSMTSA-N 0 3 363.527 2.424 10 0 FEAEHN C[C@H](c1ccccc1)N1CCC(NC(=O)N2CCCNC(=O)[C@@H]2C)CC1 ZINC000191401574 328264003 /nfs/dbraw/zinc/26/40/03/328264003.db2.gz GZYPSGZHCPQVTB-CVEARBPZSA-N 0 3 358.486 2.132 10 0 FEAEHN CCn1cc([C@@H]2CN(C(=O)NCCN(C)Cc3ccccc3)CCO2)cn1 ZINC000191529135 328269988 /nfs/dbraw/zinc/26/99/88/328269988.db2.gz RVQZTEMRBXQQAU-IBGZPJMESA-N 0 3 371.485 2.118 10 0 FEAEHN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000191637383 328275194 /nfs/dbraw/zinc/27/51/94/328275194.db2.gz DLRIQXUXCSXAMO-QAPCUYQASA-N 0 3 359.470 2.266 10 0 FEAEHN CCOC[C@H](NC(=O)N(C)C1CCN(CCn2cccn2)CC1)C(C)C ZINC000191774276 328281149 /nfs/dbraw/zinc/28/11/49/328281149.db2.gz RUXGXQMMVNECHU-SFHVURJKSA-N 0 3 365.522 2.050 10 0 FEAEHN O=C(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)c1cncc(Cl)n1 ZINC000192361514 328315327 /nfs/dbraw/zinc/31/53/27/328315327.db2.gz YAZDSTZYQRZBDM-QGZVFWFLSA-N 0 3 374.872 2.305 10 0 FEAEHN Cc1c(NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C)cnn1C1CCCC1 ZINC000193040818 328353604 /nfs/dbraw/zinc/35/36/04/328353604.db2.gz FOUHBNWSLSNBET-HNNXBMFYSA-N 0 3 363.506 2.338 10 0 FEAEHN Cc1nc(NC(=O)C(=O)N[C@@H](C)CN(C)Cc2ccccc2)sc1C ZINC000193259766 328365797 /nfs/dbraw/zinc/36/57/97/328365797.db2.gz GSKGLDHUMFAYCY-LBPRGKRZSA-N 0 3 360.483 2.335 10 0 FEAEHN C[C@H]1[NH2+]CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000193450659 328376317 /nfs/dbraw/zinc/37/63/17/328376317.db2.gz FRQFPGDEWDPVJF-KCJUWKMLSA-N 0 3 351.241 2.007 10 0 FEAEHN CCCCOC[C@@H](O)CN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000195174393 328459957 /nfs/dbraw/zinc/45/99/57/328459957.db2.gz WVFGJTBQVPAPBK-INIZCTEOSA-N 0 3 360.458 2.489 10 0 FEAEHN CN(C)C(=O)C1CCN(C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000078773153 325061341 /nfs/dbraw/zinc/06/13/41/325061341.db2.gz KAORAZNXEQNJLZ-QGZVFWFLSA-N 0 3 354.878 2.018 10 0 FEAEHN Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C[NH3+])sc1Br ZINC000094541468 325454195 /nfs/dbraw/zinc/45/41/95/325454195.db2.gz XWKJCIMFHZPKKZ-DTWKUNHWSA-N 0 3 353.307 2.225 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000114835018 325925739 /nfs/dbraw/zinc/92/57/39/325925739.db2.gz AXYWOZAFDSEGBT-AWEZNQCLSA-N 0 3 363.849 2.278 10 0 FEAEHN CCc1nnsc1C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000115157329 325942695 /nfs/dbraw/zinc/94/26/95/325942695.db2.gz IMCKNIYFUSRANA-QGZVFWFLSA-N 0 3 374.510 2.276 10 0 FEAEHN Cc1ccnc(-c2ccc(NC(=O)NC[C@H](O)CN3CCCCC3)cc2)n1 ZINC000115771959 325976411 /nfs/dbraw/zinc/97/64/11/325976411.db2.gz DXYRTGFQYNNBAU-SFHVURJKSA-N 0 3 369.469 2.420 10 0 FEAEHN CN(CCCNC(=O)N1CC[C@H](c2cnn(C)c2)C1)Cc1ccccc1 ZINC000116415883 326012360 /nfs/dbraw/zinc/01/23/60/326012360.db2.gz CXNMTLNVLIRBFN-SFHVURJKSA-N 0 3 355.486 2.441 10 0 FEAEHN CN(C)CCOc1ccccc1CNC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116425683 326013524 /nfs/dbraw/zinc/01/35/24/326013524.db2.gz UTVKTPDCKKOJCG-QGZVFWFLSA-N 0 3 371.485 2.060 10 0 FEAEHN Cc1nc(CN2CCCN(C(=O)NC[C@H](C)N(C)C3CC3)CC2)cs1 ZINC000116545928 326022906 /nfs/dbraw/zinc/02/29/06/326022906.db2.gz CUOCJYDTCBVZQC-AWEZNQCLSA-N 0 3 365.547 2.152 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2ccccc2-c2nc(C(C)(C)C)no2)CCO1 ZINC000116787476 326035335 /nfs/dbraw/zinc/03/53/35/326035335.db2.gz VUDVUSWZQVLTLN-AWEZNQCLSA-N 0 3 372.469 2.437 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2cccs2)CCO1 ZINC000116789696 326036108 /nfs/dbraw/zinc/03/61/08/326036108.db2.gz ZUZHMPZXOJINDG-CQSZACIVSA-N 0 3 373.478 2.403 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)CCc2ncc(-c3ccccc3F)o2)CCO1 ZINC000116797584 326036455 /nfs/dbraw/zinc/03/64/55/326036455.db2.gz UDKGWSHSYUWYBJ-AWEZNQCLSA-N 0 3 361.417 2.202 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NCCSc2ccc(Cl)cc2)CCO1 ZINC000117027117 326047359 /nfs/dbraw/zinc/04/73/59/326047359.db2.gz BDNZYPHOZICIAC-CQSZACIVSA-N 0 3 357.907 2.404 10 0 FEAEHN CC[C@H](C)NC(=O)c1ccc(NC(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000118810677 326104307 /nfs/dbraw/zinc/10/43/07/326104307.db2.gz SLCLGKBWCRRLKN-WMLDXEAASA-N 0 3 362.474 2.009 10 0 FEAEHN CCC[C@@H](C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1)N(C)C ZINC000119379349 326155695 /nfs/dbraw/zinc/15/56/95/326155695.db2.gz XLWCLGLZSBQPJU-KRWDZBQOSA-N 0 3 369.531 2.062 10 0 FEAEHN CC(C)OCCN1CCC(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000119894458 326210446 /nfs/dbraw/zinc/21/04/46/326210446.db2.gz SEPIFXZLYQWIMR-XLIONFOSSA-N 0 3 367.534 2.212 10 0 FEAEHN CN(Cc1cn(C)nc1-c1ccncc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000120249256 326243768 /nfs/dbraw/zinc/24/37/68/326243768.db2.gz ZGZSZMABOPTVCQ-SFHVURJKSA-N 0 3 363.469 2.373 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccccc1N1CCCC1 ZINC000121849738 326371888 /nfs/dbraw/zinc/37/18/88/326371888.db2.gz WZKAWRWBVULRRO-MRXNPFEDSA-N 0 3 360.502 2.318 10 0 FEAEHN CN(C)C[C@H]1CN(CC2=Cc3cc(Br)ccc3OC2)CCO1 ZINC000128153201 326518900 /nfs/dbraw/zinc/51/89/00/326518900.db2.gz CBLATWUKLJSDTO-INIZCTEOSA-N 0 3 367.287 2.487 10 0 FEAEHN CCC[C@@H](C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)N(C)C ZINC000129960637 326549167 /nfs/dbraw/zinc/54/91/67/326549167.db2.gz MDBGCBVQELNROM-KXBFYZLASA-N 0 3 364.509 2.485 10 0 FEAEHN COc1cc2[nH]c(CCCNC(=O)N3CC[C@@H](N(C)C)C3)cc2c(OC)c1 ZINC000130753747 326562635 /nfs/dbraw/zinc/56/26/35/326562635.db2.gz XBAUSDTXWJSNFI-OAHLLOKOSA-N 0 3 374.485 2.463 10 0 FEAEHN COc1cccc(C(=O)N(C)C2CCN(CCn3cccn3)CC2)c1F ZINC000134095879 326619746 /nfs/dbraw/zinc/61/97/46/326619746.db2.gz GZLSOGFBNXIIET-UHFFFAOYSA-N 0 3 360.433 2.267 10 0 FEAEHN C[C@H](CN[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)N1CCOCC1 ZINC000134684190 326629899 /nfs/dbraw/zinc/62/98/99/326629899.db2.gz XMXVLZRIZSZHKW-AYOQOUSVSA-N 0 3 367.921 2.022 10 0 FEAEHN C[C@H](CN[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)N1CCOCC1 ZINC000134684147 326629989 /nfs/dbraw/zinc/62/99/89/326629989.db2.gz XMXVLZRIZSZHKW-MNEFBYGVSA-N 0 3 367.921 2.022 10 0 FEAEHN C[C@@H](NC(=O)c1ccnc(OCCN(C)C)c1)c1nc2ccccc2[nH]1 ZINC000136399812 326652486 /nfs/dbraw/zinc/65/24/86/326652486.db2.gz KKMOMKHORJMPEY-CYBMUJFWSA-N 0 3 353.426 2.389 10 0 FEAEHN CCC(=O)N1CCC[C@H](C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C1 ZINC000153072941 326723235 /nfs/dbraw/zinc/72/32/35/326723235.db2.gz IZAAYFSDCPEMOA-HNNXBMFYSA-N 0 3 374.485 2.142 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccccc1OCC(F)F ZINC000154014452 326749028 /nfs/dbraw/zinc/74/90/28/326749028.db2.gz HPTYHPNEKQAMQV-CYBMUJFWSA-N 0 3 371.428 2.362 10 0 FEAEHN CCn1cnnc1C1CCN(C[C@H](O)COCc2ccc(OC)cc2)CC1 ZINC000155438496 326788035 /nfs/dbraw/zinc/78/80/35/326788035.db2.gz BCSLSUZPXBVTSC-SFHVURJKSA-N 0 3 374.485 2.064 10 0 FEAEHN Cc1cnn(-c2ccc(C)cc2NC(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000158535603 326899069 /nfs/dbraw/zinc/89/90/69/326899069.db2.gz GXFFMGRBYDFFBD-QGZVFWFLSA-N 0 3 371.485 2.457 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000168431887 327086695 /nfs/dbraw/zinc/08/66/95/327086695.db2.gz ADVMNEHZACHRIS-DNVCBOLYSA-N 0 3 356.470 2.359 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C2CCN(c3ccc4cccc(O)c4n3)CC2)C1 ZINC000170860064 327103408 /nfs/dbraw/zinc/10/34/08/327103408.db2.gz VPMHIULGXYJIKM-QGZVFWFLSA-N 0 3 368.481 2.319 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)C1 ZINC000171075900 327115964 /nfs/dbraw/zinc/11/59/64/327115964.db2.gz YGZCPOXEVQMZNA-CYBMUJFWSA-N 0 3 358.364 2.147 10 0 FEAEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171349931 327134211 /nfs/dbraw/zinc/13/42/11/327134211.db2.gz DRVMQVPVBRSKRD-RBUKOAKNSA-N 0 3 355.486 2.440 10 0 FEAEHN Cc1nc(C[C@H]2CCCN(CCCN3C(=O)c4ccccc4C3=O)C2)no1 ZINC000171407055 327137584 /nfs/dbraw/zinc/13/75/84/327137584.db2.gz WSPCJNVAKTWIRU-OAHLLOKOSA-N 0 3 368.437 2.319 10 0 FEAEHN Cc1cccc(NC[C@H]2CCN(Cc3nn4c(nc(C)cc4=O)s3)C2)n1 ZINC000171651169 327151765 /nfs/dbraw/zinc/15/17/65/327151765.db2.gz BWCYQDFJAXXCDT-CQSZACIVSA-N 0 3 370.482 2.097 10 0 FEAEHN CC(C)n1ccnc1CS(=O)(=O)C(C)C(=O)NCc1cccs1 ZINC000171674924 327154346 /nfs/dbraw/zinc/15/43/46/327154346.db2.gz JZQUTLFPCBYYNO-LBPRGKRZSA-N 0 3 355.485 2.145 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NCc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000172047232 327177900 /nfs/dbraw/zinc/17/79/00/327177900.db2.gz OHHMOQZSDPNEDP-AWEZNQCLSA-N 0 3 361.364 2.057 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NCc2ccc(Br)c(F)c2)CCO1 ZINC000172129654 327182598 /nfs/dbraw/zinc/18/25/98/327182598.db2.gz VKDUFOVPIMDACB-GFCCVEGCSA-N 0 3 374.254 2.060 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2csc(-c3c(F)cccc3F)n2)CCO1 ZINC000172307706 327194450 /nfs/dbraw/zinc/19/44/50/327194450.db2.gz IVQKLURBYRTTIK-NSHDSACASA-N 0 3 367.421 2.491 10 0 FEAEHN CC[C@H](C)CS(=O)(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000172662647 327213864 /nfs/dbraw/zinc/21/38/64/327213864.db2.gz PFYZRWVBCMRMNW-LPHOPBHVSA-N 0 3 368.543 2.398 10 0 FEAEHN C[C@H](CNC(=O)NC[C@@H](O)CN1CCCCC1)Oc1ccccc1Cl ZINC000173204995 327241198 /nfs/dbraw/zinc/24/11/98/327241198.db2.gz ZYZQXGBPCJWJCL-HUUCEWRRSA-N 0 3 369.893 2.253 10 0 FEAEHN C[C@H](CNC(=O)NC[C@H](O)CN1CCCCC1)Oc1ccccc1Cl ZINC000173204969 327241216 /nfs/dbraw/zinc/24/12/16/327241216.db2.gz ZYZQXGBPCJWJCL-CABCVRRESA-N 0 3 369.893 2.253 10 0 FEAEHN C[C@@H](CNC(=O)NC[C@@H](O)CN1CCCCC1)Oc1ccccc1Cl ZINC000173204982 327241218 /nfs/dbraw/zinc/24/12/18/327241218.db2.gz ZYZQXGBPCJWJCL-LSDHHAIUSA-N 0 3 369.893 2.253 10 0 FEAEHN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1 ZINC000173438620 327256893 /nfs/dbraw/zinc/25/68/93/327256893.db2.gz GTJDBCVJRYOZEU-QXAKKESOSA-N 0 3 355.482 2.181 10 0 FEAEHN Cc1ccc([C@H](CN[C@H](C)C(=O)NC(C)(C)C)N2CCOCC2)s1 ZINC000173646157 327273270 /nfs/dbraw/zinc/27/32/70/327273270.db2.gz ZFBSLGBGANOMBQ-CABCVRRESA-N 0 3 353.532 2.323 10 0 FEAEHN CCOCCOc1ccc(S(=O)(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000173887199 327291437 /nfs/dbraw/zinc/29/14/37/327291437.db2.gz MGRVSCSZFCIIGG-MAUKXSAKSA-N 0 3 370.515 2.109 10 0 FEAEHN CCc1nccn1[C@@H]1CCCN(C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000173954674 327297439 /nfs/dbraw/zinc/29/74/39/327297439.db2.gz FFKFORMMQKJWTH-OAHLLOKOSA-N 0 3 359.478 2.073 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@@H]1CCCN(c3ccc(C)cc3)C1=O)CC2 ZINC000174085563 327305355 /nfs/dbraw/zinc/30/53/55/327305355.db2.gz CPDWEFYGJPBURF-NVXWUHKLSA-N 0 3 353.470 2.249 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCc3c(cccc3N3CCOC3=O)C2)C1 ZINC000174237021 327314841 /nfs/dbraw/zinc/31/48/41/327314841.db2.gz YDPLJVATGJBARP-INIZCTEOSA-N 0 3 372.469 2.195 10 0 FEAEHN C[C@H](CNC(=O)N1CCC[C@@H](n2cncn2)C1)N(C)Cc1ccccc1 ZINC000174833516 327353845 /nfs/dbraw/zinc/35/38/45/327353845.db2.gz WHNBGRDIJHHULO-SJLPKXTDSA-N 0 3 356.474 2.145 10 0 FEAEHN Cc1cc(C)n(CC(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)n1 ZINC000174854222 327355197 /nfs/dbraw/zinc/35/51/97/327355197.db2.gz RFZQZUBHLHAENG-HXUWFJFHSA-N 0 3 370.497 2.062 10 0 FEAEHN CC[C@H](CNC(=O)NC[C@H](O)CN1CCCCC1)Oc1ccccc1F ZINC000175962910 327424772 /nfs/dbraw/zinc/42/47/72/327424772.db2.gz OPTCEFYROSJADN-JKSUJKDBSA-N 0 3 367.465 2.129 10 0 FEAEHN CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CCCn4ncnc43)cc2)CC1 ZINC000177567520 327530866 /nfs/dbraw/zinc/53/08/66/327530866.db2.gz LKOAJNCMHFDCIF-SFHVURJKSA-N 0 3 368.485 2.073 10 0 FEAEHN CN(C)C[C@@H]1CN([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CCO1 ZINC000248697231 328735885 /nfs/dbraw/zinc/73/58/85/328735885.db2.gz JYZOZUUAMZIFNA-CJNGLKHVSA-N 0 3 371.403 2.073 10 0 FEAEHN CC[C@H](C)[C@H](NC(=O)CN[C@H](C)c1cccc(-n2ccnc2)c1)C(=O)OC ZINC000249259370 328762239 /nfs/dbraw/zinc/76/22/39/328762239.db2.gz HTJSVQGVPJLUDP-KHYOSLBOSA-N 0 3 372.469 2.227 10 0 FEAEHN Cc1cc(C)n(-c2ccc(Cl)c(-c3nc([C@H]4CNCCN4C)no3)n2)n1 ZINC000263242423 328927700 /nfs/dbraw/zinc/92/77/00/328927700.db2.gz OVJMOGNPVMWTDQ-CYBMUJFWSA-N 0 3 373.848 2.164 10 0 FEAEHN CC(=O)c1ccc(SCc2nc([C@H]3CNCCN3C)no2)cc1F ZINC000263256326 328928751 /nfs/dbraw/zinc/92/87/51/328928751.db2.gz QNUJSDNNJNYBKK-CQSZACIVSA-N 0 3 350.419 2.280 10 0 FEAEHN C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCO[C@H](CN(C)C)C1 ZINC000155341799 545514700 /nfs/dbraw/zinc/51/47/00/545514700.db2.gz PFRLGFZFVWUJBG-IUODEOHRSA-N 0 3 359.392 2.295 10 0 FEAEHN C[C@H](NC(=O)CN1CCO[C@H](CN(C)C)C1)c1cccc2ccccc21 ZINC000155355038 545516773 /nfs/dbraw/zinc/51/67/73/545516773.db2.gz OVIQDXVBSFENSC-FUHWJXTLSA-N 0 3 355.482 2.279 10 0 FEAEHN C[C@H](C(=O)Nc1cccc(Br)c1)N1CCO[C@H](CN(C)C)C1 ZINC000155358813 545516881 /nfs/dbraw/zinc/51/68/81/545516881.db2.gz IEPLPNXHIDXRIZ-IUODEOHRSA-N 0 3 370.291 2.039 10 0 FEAEHN O=C1CCCN1C[C@H](O)CNC1(c2cccc(Br)c2)CCC1 ZINC000156210573 545608277 /nfs/dbraw/zinc/60/82/77/545608277.db2.gz UXBVZXWBVPMGBI-OAHLLOKOSA-N 0 3 367.287 2.401 10 0 FEAEHN O=C1CCCN1C[C@@H](O)CN1CCC[C@H](COc2ccccc2Cl)C1 ZINC000157043259 545693691 /nfs/dbraw/zinc/69/36/91/545693691.db2.gz FCQCSHGYFYJUSB-HOTGVXAUSA-N 0 3 366.889 2.414 10 0 FEAEHN COc1cc(F)c(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)cc1F ZINC000157234248 545717183 /nfs/dbraw/zinc/71/71/83/545717183.db2.gz JKKPJFNRGUQZGX-LLVKDONJSA-N 0 3 357.401 2.004 10 0 FEAEHN CC(C)(C)OC[C@H](O)CN1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000157890364 545797390 /nfs/dbraw/zinc/79/73/90/545797390.db2.gz JEVHVKAPDIEFRT-GOSISDBHSA-N 0 3 360.498 2.464 10 0 FEAEHN Cc1cnn([C@@H]2CCCN(CC(=O)NC[C@@H](c3ccccc3)N(C)C)C2)c1 ZINC000158423622 545860023 /nfs/dbraw/zinc/86/00/23/545860023.db2.gz ZPVKDPDJZATEPC-UXHICEINSA-N 0 3 369.513 2.248 10 0 FEAEHN CC(C)c1cc(C(=O)N2CCO[C@@H](CN(C)C)C2)nn1-c1ccccc1 ZINC000158583809 545874530 /nfs/dbraw/zinc/87/45/30/545874530.db2.gz PELPIXGWYKWXAQ-KRWDZBQOSA-N 0 3 356.470 2.398 10 0 FEAEHN CC[C@H](OC1CCCC1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000159270822 545937563 /nfs/dbraw/zinc/93/75/63/545937563.db2.gz QXCNIGVZIAYDTD-ICSRJNTNSA-N 0 3 360.498 2.260 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)NCCOc2ccc(Br)cc2)C1 ZINC000170834959 546179622 /nfs/dbraw/zinc/17/96/22/546179622.db2.gz RVUASAYEPOERDG-CYBMUJFWSA-N 0 3 356.264 2.173 10 0 FEAEHN C[C@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)Oc1cccc(Cl)c1 ZINC000176144705 546413640 /nfs/dbraw/zinc/41/36/40/546413640.db2.gz CPQYUZOKIHRJGC-CJNGLKHVSA-N 0 3 355.866 2.079 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCCNC(=O)c1ccccc1Cl ZINC000176191952 546418155 /nfs/dbraw/zinc/41/81/55/546418155.db2.gz NYZHHSNWGXTBFV-CQSZACIVSA-N 0 3 366.893 2.196 10 0 FEAEHN O=C(CC[C@@H]1CCOC1)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000176224579 546421155 /nfs/dbraw/zinc/42/11/55/546421155.db2.gz UUKJATUYZHPFIX-QUCCMNQESA-N 0 3 360.498 2.365 10 0 FEAEHN O=C(CC[C@H]1CCOC1)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000176224594 546421565 /nfs/dbraw/zinc/42/15/65/546421565.db2.gz UUKJATUYZHPFIX-AZUAARDMSA-N 0 3 360.498 2.365 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1 ZINC000176352857 546435691 /nfs/dbraw/zinc/43/56/91/546435691.db2.gz IJXYTWIKZIMNMK-HNNXBMFYSA-N 0 3 368.503 2.315 10 0 FEAEHN O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N[C@@H]1CCCn2ncnc21 ZINC000176467727 546450686 /nfs/dbraw/zinc/45/06/86/546450686.db2.gz ZZJVHUMKAPJFLI-GOEBONIOSA-N 0 3 374.514 2.386 10 0 FEAEHN O=C(Cc1cccc(O)c1)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000176516781 546455980 /nfs/dbraw/zinc/45/59/80/546455980.db2.gz FYLOGYSIFMWVQL-NRFANRHFSA-N 0 3 368.477 2.497 10 0 FEAEHN CCN(C(=O)C(C)S(=O)(=O)Cc1nccn1CC)C1CCCCC1 ZINC000176906103 546506028 /nfs/dbraw/zinc/50/60/28/546506028.db2.gz AYXIQFIYKBGVKC-AWEZNQCLSA-N 0 3 355.504 2.388 10 0 FEAEHN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N(C)C[C@@H]1CCCN1CC ZINC000177022734 546525501 /nfs/dbraw/zinc/52/55/01/546525501.db2.gz KQAAKWOFAOMJPL-OALUTQOASA-N 0 3 359.514 2.457 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000177038407 546529380 /nfs/dbraw/zinc/52/93/80/546529380.db2.gz JETCGJYSNAGCHU-KRWDZBQOSA-N 0 3 359.470 2.135 10 0 FEAEHN Cc1cc2ncn(C[C@@H](O)CN3CC[C@](O)(C(F)(F)F)C3)c2cc1C ZINC000177288077 546587671 /nfs/dbraw/zinc/58/76/71/546587671.db2.gz BCQPVRIWLDVYRT-XJKSGUPXSA-N 0 3 357.376 2.013 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1ccc(CN2CCCC2=O)cc1 ZINC000177382028 546605739 /nfs/dbraw/zinc/60/57/39/546605739.db2.gz UYATYSHYESWGGI-IBGZPJMESA-N 0 3 372.513 2.435 10 0 FEAEHN O=C(Nc1ccc(CC(F)(F)F)cc1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177682230 546666040 /nfs/dbraw/zinc/66/60/40/546666040.db2.gz CTIOQYYGCWTQNT-AWEZNQCLSA-N 0 3 355.360 2.037 10 0 FEAEHN CCN1CCC[C@H]1CN(C)CC(=O)Nc1ccc(Br)cn1 ZINC000177706347 546671295 /nfs/dbraw/zinc/67/12/95/546671295.db2.gz WCKMLGOIHMQDEF-ZDUSSCGKSA-N 0 3 355.280 2.199 10 0 FEAEHN COc1ccccc1CCNC(=O)CN1CCC[C@H]1Cn1ccnc1C ZINC000178320351 546774994 /nfs/dbraw/zinc/77/49/94/546774994.db2.gz JAAXXOWBAIAODG-SFHVURJKSA-N 0 3 356.470 2.023 10 0 FEAEHN COc1ccc(OC)c(NC(=O)CN2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000178748244 546843003 /nfs/dbraw/zinc/84/30/03/546843003.db2.gz CSAIOFNZCBWMNE-OAHLLOKOSA-N 0 3 358.442 2.312 10 0 FEAEHN COC(=O)c1c(C)[nH]c(C(=O)CN2CCC[C@H]2Cn2ccnc2C)c1C ZINC000178750694 546843163 /nfs/dbraw/zinc/84/31/63/546843163.db2.gz KEPMPRXVDOJPCP-HNNXBMFYSA-N 0 3 358.442 2.270 10 0 FEAEHN COC(=O)c1c(C)[nH]c(C(=O)CN2CCC[C@@H]2Cn2ccnc2C)c1C ZINC000178750684 546843299 /nfs/dbraw/zinc/84/32/99/546843299.db2.gz KEPMPRXVDOJPCP-OAHLLOKOSA-N 0 3 358.442 2.270 10 0 FEAEHN COc1cc(OC)cc(S(=O)(=O)NC[C@H]2CCCN2CC(C)C)c1 ZINC000178816662 546854864 /nfs/dbraw/zinc/85/48/64/546854864.db2.gz PMZJRIPBUDPZPA-CQSZACIVSA-N 0 3 356.488 2.103 10 0 FEAEHN Cc1ccc(CC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)cc1O ZINC000180337846 547086306 /nfs/dbraw/zinc/08/63/06/547086306.db2.gz GVFYZFXWHDVIMM-UHFFFAOYSA-N 0 3 368.481 2.049 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc2c(c1)CCO2 ZINC000180896442 547204291 /nfs/dbraw/zinc/20/42/91/547204291.db2.gz PRPBIEKSDTYWPP-HNNXBMFYSA-N 0 3 367.449 2.197 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2cccc(OCc3cccnc3)c2)CCO1 ZINC000181172845 547263126 /nfs/dbraw/zinc/26/31/26/547263126.db2.gz VJVAVVCUPNUBBI-LJQANCHMSA-N 0 3 370.453 2.455 10 0 FEAEHN O=C(NCCCOCCOCc1ccccc1)N1CCN2CCC[C@H]2C1 ZINC000182068524 547432163 /nfs/dbraw/zinc/43/21/63/547432163.db2.gz DLELERSGRHIUFD-IBGZPJMESA-N 0 3 361.486 2.100 10 0 FEAEHN C[C@H](NC(=O)N(C)CCCN1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000182169451 547447409 /nfs/dbraw/zinc/44/74/09/547447409.db2.gz VJCYGXINJTWYBL-AWEZNQCLSA-N 0 3 354.445 2.305 10 0 FEAEHN COCc1nc(CN(C)CC2CCN(C[C@H](O)c3ccccc3)CC2)no1 ZINC000182442667 547494111 /nfs/dbraw/zinc/49/41/11/547494111.db2.gz DXQNRNXBTDAPFS-SFHVURJKSA-N 0 3 374.485 2.093 10 0 FEAEHN CN(C)C[C@H]1CN(CCc2cc(Cl)c3c(c2)OCCCO3)CCO1 ZINC000182762145 547548625 /nfs/dbraw/zinc/54/86/25/547548625.db2.gz XDSPCRYQLVBCIA-HNNXBMFYSA-N 0 3 354.878 2.306 10 0 FEAEHN CC(C)(C)[C@H](NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)C(N)=O ZINC000183553212 547680405 /nfs/dbraw/zinc/68/04/05/547680405.db2.gz NSAUHLCFXVNSLS-DLBZAZTESA-N 0 3 360.502 2.240 10 0 FEAEHN C[C@H]1C[C@@H](N(C)C(=O)NCC(=O)NCC2CC2)CCN1Cc1ccccc1 ZINC000183775496 547718862 /nfs/dbraw/zinc/71/88/62/547718862.db2.gz SMLBYAFHOXAEDF-LPHOPBHVSA-N 0 3 372.513 2.207 10 0 FEAEHN Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000184627356 547856509 /nfs/dbraw/zinc/85/65/09/547856509.db2.gz WRMIGDWVDCBBHJ-AWEZNQCLSA-N 0 3 358.467 2.220 10 0 FEAEHN CCN1CCN(c2cccc(NC(=O)N[C@H]3CCCn4ncnc43)c2)CC1 ZINC000184902170 547896217 /nfs/dbraw/zinc/89/62/17/547896217.db2.gz GFOIMMSHYYYLGG-KRWDZBQOSA-N 0 3 369.473 2.077 10 0 FEAEHN CC(C)c1nnc2n1C[C@H](N[C@H](Cc1ccc(Cl)cc1)C(N)=O)CC2 ZINC000185912605 548057436 /nfs/dbraw/zinc/05/74/36/548057436.db2.gz YYUWTSNSISODLJ-HUUCEWRRSA-N 0 3 361.877 2.056 10 0 FEAEHN CCO[C@@H]1C[C@H](N[C@@H]2CCN(c3ccccc3F)C2=O)C12CCOCC2 ZINC000186403750 548129996 /nfs/dbraw/zinc/12/99/96/548129996.db2.gz BZODGWLIVUNPJZ-BPQIPLTHSA-N 0 3 362.445 2.495 10 0 FEAEHN CCO[C@H]1C[C@H](NCc2nc(COc3ccccc3)n[nH]2)C12CCOCC2 ZINC000186424735 548132696 /nfs/dbraw/zinc/13/26/96/548132696.db2.gz YTLPRNFRTDIOQD-IRXDYDNUSA-N 0 3 372.469 2.448 10 0 FEAEHN NC(=O)c1coc(CNC(=O)NC[C@H]2CCCCN2Cc2ccccc2)c1 ZINC000186626732 548160757 /nfs/dbraw/zinc/16/07/57/548160757.db2.gz MPILKBHZQSQQBA-QGZVFWFLSA-N 0 3 370.453 2.232 10 0 FEAEHN CN(C)C[C@H]1CN(CCOc2cc(F)cc(Br)c2)CCO1 ZINC000188967518 548293182 /nfs/dbraw/zinc/29/31/82/548293182.db2.gz AYZBUEQEJZBUSI-HNNXBMFYSA-N 0 3 361.255 2.229 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)C1 ZINC000194324134 548465194 /nfs/dbraw/zinc/46/51/94/548465194.db2.gz FULIDPYDNXTIEO-QGZVFWFLSA-N 0 3 359.518 2.353 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(CC(=O)N[C@@H](C)C(C)C)C1 ZINC000195254065 548603242 /nfs/dbraw/zinc/60/32/42/548603242.db2.gz BTGKFHDLMWZWCC-HOCLYGCPSA-N 0 3 352.548 2.366 10 0 FEAEHN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[C@H](CN(C)Cc3cccnc3)C2)C1 ZINC000195301457 548617125 /nfs/dbraw/zinc/61/71/25/548617125.db2.gz MVBRSTBTHVCCAN-QWFCFKBJSA-N 0 3 358.530 2.340 10 0 FEAEHN Cc1cccc(C2N=NC(=S)N2CCC(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000195319587 548623131 /nfs/dbraw/zinc/62/31/31/548623131.db2.gz SCWZUQKFRUHRFU-MRXNPFEDSA-N 0 3 371.510 2.239 10 0 FEAEHN Cc1cc(S(=O)(=O)N2C[C@H](N(C)C)[C@@H](C)C2)sc1Br ZINC000228129959 548752932 /nfs/dbraw/zinc/75/29/32/548752932.db2.gz JNKXDVXYCIGCFG-UWVGGRQHSA-N 0 3 367.334 2.390 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000245437204 548919950 /nfs/dbraw/zinc/91/99/50/548919950.db2.gz WEZFFCMYYMIJRC-DOTOQJQBSA-N 0 3 363.527 2.224 10 0 FEAEHN COc1ccc([C@H]2CCCN2C(=O)CN2CCN3CCC[C@H]3C2)cc1OC ZINC000245932486 549023575 /nfs/dbraw/zinc/02/35/75/549023575.db2.gz QMUGMSPLBLNMBK-ZWKOTPCHSA-N 0 3 373.497 2.147 10 0 FEAEHN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N3CC[C@@H](N(C)C)C3)c2C1 ZINC000246020125 549038105 /nfs/dbraw/zinc/03/81/05/549038105.db2.gz OJUQGTNCFWYAIE-DOTOQJQBSA-N 0 3 372.513 2.148 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N(C)Cc2cn(C)nc2C(F)(F)F)C1 ZINC000246207711 549078142 /nfs/dbraw/zinc/07/81/42/549078142.db2.gz BWMRQZMYEZWZMV-DGCLKSJQSA-N 0 3 361.412 2.309 10 0 FEAEHN CCOCCN1CCN(C[C@@H](O)COCc2ccccc2Cl)C[C@H]1C ZINC000246215305 549080713 /nfs/dbraw/zinc/08/07/13/549080713.db2.gz AWFDSXGTGLIBCC-SJLPKXTDSA-N 0 3 370.921 2.260 10 0 FEAEHN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)N2CCN3CCC[C@H]3C2)c1 ZINC000246350767 549112407 /nfs/dbraw/zinc/11/24/07/549112407.db2.gz MOBKQWXWKUOCQG-XHSDSOJGSA-N 0 3 361.486 2.050 10 0 FEAEHN CC[C@@H]1CN(C[C@@H](O)COc2cc(C)cc(C)c2)CCN1CCOC ZINC000246367566 549116809 /nfs/dbraw/zinc/11/68/09/549116809.db2.gz NTDMQJDIJFELMR-RTBURBONSA-N 0 3 350.503 2.086 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2N2CCCCC2)C1 ZINC000246415501 549128036 /nfs/dbraw/zinc/12/80/36/549128036.db2.gz MFWRPXXTMOUOJM-FUHWJXTLSA-N 0 3 372.513 2.460 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000246449093 549135494 /nfs/dbraw/zinc/13/54/94/549135494.db2.gz FAWCFDKBLUHBRW-GJZGRUSLSA-N 0 3 365.909 2.439 10 0 FEAEHN C[C@H](CNC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)CN1CCN(C)CC1 ZINC000246465963 549139689 /nfs/dbraw/zinc/13/96/89/549139689.db2.gz VFFRMLCNVSEHMK-RBSFLKMASA-N 0 3 364.456 2.290 10 0 FEAEHN CN(C[C@H](O)COCc1cccs1)[C@H]1CCCN(c2cccnn2)C1 ZINC000246593818 549170309 /nfs/dbraw/zinc/17/03/09/549170309.db2.gz SZZBMGOLKCWRFG-HOTGVXAUSA-N 0 3 362.499 2.016 10 0 FEAEHN COc1ccc2cc(NC(=O)C(=O)N[C@@H]3CN(C(C)C)C[C@@H]3C)ccc2n1 ZINC000246598311 549171914 /nfs/dbraw/zinc/17/19/14/549171914.db2.gz ZHDSPIWXYQTVAB-SUMWQHHRSA-N 0 3 370.453 2.027 10 0 FEAEHN C[C@H](O)CN1CCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC000246611269 549173775 /nfs/dbraw/zinc/17/37/75/549173775.db2.gz YBTNSFLZAYMVAW-KBPBESRZSA-N 0 3 373.419 2.421 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 ZINC000246773066 549209129 /nfs/dbraw/zinc/20/91/29/549209129.db2.gz CENNFYHVRXUCPQ-OLMNPRSZSA-N 0 3 359.470 2.263 10 0 FEAEHN CN(C[C@H]1CCCN(C)C1)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000246814954 549219412 /nfs/dbraw/zinc/21/94/12/549219412.db2.gz OFLMUTRFWXNQLE-HQRMLTQVSA-N 0 3 357.498 2.396 10 0 FEAEHN CCN(CC)C(=O)[C@H](C)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000246966102 549253350 /nfs/dbraw/zinc/25/33/50/549253350.db2.gz LNAGOOXYMUDFBX-JYJNAYRXSA-N 0 3 353.532 2.356 10 0 FEAEHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247009752 549264377 /nfs/dbraw/zinc/26/43/77/549264377.db2.gz ZBYAGXUNAXTDCE-HRCADAONSA-N 0 3 351.491 2.186 10 0 FEAEHN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000247076379 549278774 /nfs/dbraw/zinc/27/87/74/549278774.db2.gz JAMIVCSTAVZRQU-JSNMRZPZSA-N 0 3 370.497 2.060 10 0 FEAEHN O=C(CN1CCN2CCC[C@H]2C1)N[C@H](c1nccs1)c1ccccc1 ZINC000247209786 549299532 /nfs/dbraw/zinc/29/95/32/549299532.db2.gz ROYUBRKLPCEQQC-WMZOPIPTSA-N 0 3 356.495 2.129 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N(C)Cc2ccc([S@@](C)=O)cc2)C1 ZINC000247288202 549311836 /nfs/dbraw/zinc/31/18/36/549311836.db2.gz KQJPLRMAKBELOU-QZSNXIIRSA-N 0 3 351.516 2.294 10 0 FEAEHN CCCCN(C)C(=O)C1CCN(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)CC1 ZINC000247350799 549323759 /nfs/dbraw/zinc/32/37/59/549323759.db2.gz NZVWLBWKXSBPGV-SJLPKXTDSA-N 0 3 366.550 2.395 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCN([C@@H](C)c3cccnc3)CC2)C1 ZINC000247373095 549325818 /nfs/dbraw/zinc/32/58/18/549325818.db2.gz PGRXBLFOURCIPM-ZIFCJYIRSA-N 0 3 359.518 2.199 10 0 FEAEHN O=C(Nc1ccc(NC(=O)N2CCN3CCC[C@H]3C2)cc1)[C@@H]1CCCO1 ZINC000247596703 549364472 /nfs/dbraw/zinc/36/44/72/549364472.db2.gz SMSINVPYRWZNPA-IRXDYDNUSA-N 0 3 358.442 2.116 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000247659136 549369845 /nfs/dbraw/zinc/36/98/45/549369845.db2.gz ZIOLTIVBBUNIEC-ZFWWWQNUSA-N 0 3 364.877 2.229 10 0 FEAEHN C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000247771855 549379187 /nfs/dbraw/zinc/37/91/87/549379187.db2.gz PITVGYIZAZGJKK-NVXWUHKLSA-N 0 3 359.449 2.176 10 0 FEAEHN COC(=O)c1ccc(OC[C@H](O)CN2CCC[C@H](n3cc(C)cn3)C2)cc1 ZINC000247775719 549380025 /nfs/dbraw/zinc/38/00/25/549380025.db2.gz QMPXFVBBBVEUHF-ZWKOTPCHSA-N 0 3 373.453 2.055 10 0 FEAEHN CN1C(=O)C[C@H](C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)[C@@H]1c1ccc(F)cc1 ZINC000247975436 549396798 /nfs/dbraw/zinc/39/67/98/549396798.db2.gz GGZMZEILHNDYJI-QEEHTWDDSA-N 0 3 373.472 2.288 10 0 FEAEHN O[C@@H](COc1ccccc1C(F)(F)F)CN1CCC[C@@H](n2cncn2)C1 ZINC000248373298 549424074 /nfs/dbraw/zinc/42/40/74/549424074.db2.gz HURRHSYYGKZBQU-ZIAGYGMSSA-N 0 3 370.375 2.374 10 0 FEAEHN C[C@@H](C(=O)N1CCC(C)CC1)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248639617 549473640 /nfs/dbraw/zinc/47/36/40/549473640.db2.gz BKSBBSFGZDUUSI-ICSRJNTNSA-N 0 3 358.530 2.482 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000248649435 549476496 /nfs/dbraw/zinc/47/64/96/549476496.db2.gz KWMCDDCRGHRFQX-VQIMIIECSA-N 0 3 356.445 2.201 10 0 FEAEHN CNC(=O)[C@H](NC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C)C(C)C ZINC000248655785 549478377 /nfs/dbraw/zinc/47/83/77/549478377.db2.gz QUXCDZDHGYTIPW-ZWKOTPCHSA-N 0 3 362.518 2.213 10 0 FEAEHN COc1cc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)ccc1Cl ZINC000248678476 549482689 /nfs/dbraw/zinc/48/26/89/549482689.db2.gz LUAWOYQKNYSQLC-BXUZGUMPSA-N 0 3 353.850 2.132 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ncc(C(C)C)s1 ZINC000248681676 549482747 /nfs/dbraw/zinc/48/27/47/549482747.db2.gz WVVDECGXVQDNPA-STQMWFEESA-N 0 3 350.488 2.290 10 0 FEAEHN Cc1c(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)nnn1Cc1ccc(F)cc1 ZINC000248889565 549522280 /nfs/dbraw/zinc/52/22/80/549522280.db2.gz VVYGRYBOOKDWPQ-CXAGYDPISA-N 0 3 359.449 2.232 10 0 FEAEHN CC(C)CNC(=O)[C@@H](C)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000248958464 549532187 /nfs/dbraw/zinc/53/21/87/549532187.db2.gz BUPLGJJWMQKFSF-IAGOWNOFSA-N 0 3 369.550 2.275 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000249196622 549568510 /nfs/dbraw/zinc/56/85/10/549568510.db2.gz QFLPUMVFPLKRKS-DOMZBBRYSA-N 0 3 368.437 2.339 10 0 FEAEHN CC(=O)N[C@@H]1CCCN(C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000249740242 549621769 /nfs/dbraw/zinc/62/17/69/549621769.db2.gz XPQOEPFZTMZPDZ-MORSLUCNSA-N 0 3 354.878 2.379 10 0 FEAEHN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N3CCN4CCC[C@H]4C3)C2)c1 ZINC000249816929 549631491 /nfs/dbraw/zinc/63/14/91/549631491.db2.gz CLFAEGPDMDCLDI-QUCCMNQESA-N 0 3 369.509 2.462 10 0 FEAEHN COc1cc2nc(CN3CCN4CCCC[C@H]4C3)[nH]c(=O)c2cc1OC ZINC000253545022 549692603 /nfs/dbraw/zinc/69/26/03/549692603.db2.gz XTFNABBUGHMOIK-ZDUSSCGKSA-N 0 3 358.442 2.023 10 0 FEAEHN COc1ccccc1CCC(=O)N1CCC[C@H]1c1nncn1CCN(C)C ZINC000257180233 549712737 /nfs/dbraw/zinc/71/27/37/549712737.db2.gz DIZNDAYWWRURSE-KRWDZBQOSA-N 0 3 371.485 2.145 10 0 FEAEHN N[C@H](C(=O)NCC1(c2ccc3c(c2)OCO3)CCCCC1)C1CCOCC1 ZINC000261720257 549746874 /nfs/dbraw/zinc/74/68/74/549746874.db2.gz JERZQRWJFYHQLP-IBGZPJMESA-N 0 3 374.481 2.487 10 0 FEAEHN N[C@@H](C(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3)C1CCOCC1 ZINC000261788996 549756080 /nfs/dbraw/zinc/75/60/80/549756080.db2.gz GMJYQGCCSJORIE-GFCCVEGCSA-N 0 3 371.365 2.310 10 0 FEAEHN N[C@@H](C(=O)NCc1ccc(Oc2cccc(F)c2)nc1)C1CCOCC1 ZINC000262070787 549786545 /nfs/dbraw/zinc/78/65/45/549786545.db2.gz SKAJYUHJQIJRMK-GOSISDBHSA-N 0 3 359.401 2.383 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2ccc(F)cc2NC(=O)c2ccoc2)n1 ZINC000263188862 549884403 /nfs/dbraw/zinc/88/44/03/549884403.db2.gz HPKOFXLRPAUBKK-HNNXBMFYSA-N 0 3 371.372 2.297 10 0 FEAEHN O=C1c2ccccc2C(=O)N1CC1(O)CCN(Cc2ccccc2)CC1 ZINC000306591693 553751021 /nfs/dbraw/zinc/75/10/21/553751021.db2.gz YSJLQTOZYZPPGB-UHFFFAOYSA-N 0 3 350.418 2.310 10 0 FEAEHN Ic1cnc(NC[C@@H]2NCCc3ccccc32)nc1 ZINC000311505708 553754801 /nfs/dbraw/zinc/75/48/01/553754801.db2.gz ZKUOEGBERUVUAQ-ZDUSSCGKSA-N 0 3 366.206 2.380 10 0 FEAEHN CC(=O)N(Cc1cncnc1)[C@H]1CCCN(C[C@H](O)c2ccccc2)CC1 ZINC000328641142 553800800 /nfs/dbraw/zinc/80/08/00/553800800.db2.gz QJQBUJKLLYXTLB-SFTDATJTSA-N 0 3 368.481 2.413 10 0 FEAEHN COc1ccccc1-c1ccc(CN2CC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000367466850 556057799 /nfs/dbraw/zinc/05/77/99/556057799.db2.gz CKSMOMKSSDISBK-FQEVSTJZSA-N 0 3 351.406 2.146 10 0 FEAEHN Ic1ccc(NCCCNCc2cccnc2)nc1 ZINC000420191705 559476095 /nfs/dbraw/zinc/47/60/95/559476095.db2.gz XXONCTFMFJDYGT-UHFFFAOYSA-N 0 3 368.222 2.673 10 0 FEAEHN CN(C)C(=O)CN1CC[C@]2(C1)CCCN(CCCc1ccccc1)C2=O ZINC000426404405 559734094 /nfs/dbraw/zinc/73/40/94/559734094.db2.gz VTWKPRJJWKIQMZ-NRFANRHFSA-N 0 3 357.498 2.022 10 0 FEAEHN CN(C)C[C@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CCO1 ZINC000151292249 672160069 /nfs/dbraw/zinc/16/00/69/672160069.db2.gz PTNVURXCBVCZHA-AWEZNQCLSA-N 0 3 367.298 2.086 10 0 FEAEHN CCOCCN1CCN(Cn2nc(C3CC3)n(C)c2=S)C[C@@H]1CC ZINC000152617704 672184789 /nfs/dbraw/zinc/18/47/89/672184789.db2.gz DPYLHSWWKMMFTH-HNNXBMFYSA-N 0 3 353.536 2.219 10 0 FEAEHN CCn1c(-c2ccccc2)nn(CN2CCO[C@H](CN(C)C)C2)c1=S ZINC000152981641 672191228 /nfs/dbraw/zinc/19/12/28/672191228.db2.gz HSCLNABCCROJLR-MRXNPFEDSA-N 0 3 361.515 2.321 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000174233704 672359129 /nfs/dbraw/zinc/35/91/29/672359129.db2.gz QUXYWVIUGWRVLR-HUUCEWRRSA-N 0 3 354.495 2.122 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000174233689 672359207 /nfs/dbraw/zinc/35/92/07/672359207.db2.gz QUXYWVIUGWRVLR-CABCVRRESA-N 0 3 354.495 2.122 10 0 FEAEHN CN(C[C@H]1CCN(C)C1)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000230609050 672799170 /nfs/dbraw/zinc/79/91/70/672799170.db2.gz PQTUNULXLSYEMF-JTQLQIEISA-N 0 3 365.268 2.160 10 0 FEAEHN CCN(CC)C(=O)[C@H](C)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248597730 672858622 /nfs/dbraw/zinc/85/86/22/672858622.db2.gz MYBMCEXDFZISKK-VGWMRTNUSA-N 0 3 353.507 2.478 10 0 FEAEHN CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O[C@H](C)C(C)=O ZINC000001851921 539344087 /nfs/dbraw/zinc/34/40/87/539344087.db2.gz ZYOJXUNLLOBURP-GFCCVEGCSA-N 0 3 355.866 2.350 10 0 in-man FEAEHN C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000023738262 539719819 /nfs/dbraw/zinc/71/98/19/539719819.db2.gz ZCVDKAMMBGLQGJ-WBVHZDCISA-N 0 3 355.438 2.351 10 0 FEAEHN CN(C)C[C@@H](NC(=O)NCc1nnc2n1CCCCC2)c1ccccc1 ZINC000043780036 540109417 /nfs/dbraw/zinc/10/94/17/540109417.db2.gz HEFGPRMUPRSEEN-MRXNPFEDSA-N 0 3 356.474 2.107 10 0 FEAEHN Cc1ccc([C@@H](CNC(=O)NC[C@@H](C)N2CCOCC2)N2CCCC2)cc1 ZINC000064237195 541196042 /nfs/dbraw/zinc/19/60/42/541196042.db2.gz XPAKBQOSRDZXDG-UYAOXDASSA-N 0 3 374.529 2.152 10 0 FEAEHN CCN(CC)C(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000067354582 541447637 /nfs/dbraw/zinc/44/76/37/541447637.db2.gz GWIIQAWABPNMAZ-UHFFFAOYSA-N 0 3 358.486 2.026 10 0 FEAEHN COc1ccc(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)c2cccnc12 ZINC000067372971 541451079 /nfs/dbraw/zinc/45/10/79/541451079.db2.gz GKJGGIPJQUYLBU-CQSZACIVSA-N 0 3 372.469 2.274 10 0 FEAEHN Cc1ccc(Br)cc1S(=O)(=O)N(C)C[C@@H]1CCN(C)C1 ZINC000071192987 541765633 /nfs/dbraw/zinc/76/56/33/541765633.db2.gz TVABAVQMGUQNGB-GFCCVEGCSA-N 0 3 361.305 2.330 10 0 FEAEHN O[C@@H](COCc1ccccc1)CN1CCN(CCc2ccccc2)CC1 ZINC000073125392 541921503 /nfs/dbraw/zinc/92/15/03/541921503.db2.gz XCCHSEVYIICABO-JOCHJYFZSA-N 0 3 354.494 2.424 10 0 FEAEHN CCN(CC)C(=O)[C@H]1CCCN1C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000073793474 541999992 /nfs/dbraw/zinc/99/99/92/541999992.db2.gz MKNNSAKQKQTXEK-RTBURBONSA-N 0 3 374.529 2.202 10 0 FEAEHN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000073793468 542000227 /nfs/dbraw/zinc/00/02/27/542000227.db2.gz MKNNSAKQKQTXEK-OALUTQOASA-N 0 3 374.529 2.202 10 0 FEAEHN O=C(NCCN1CCCCC1)C1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000033070969 208070862 /nfs/dbraw/zinc/07/08/62/208070862.db2.gz FKNGTTFLIVKFSL-UHFFFAOYSA-N 0 3 355.486 2.381 10 0 FEAEHN COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2ccc([O-])c3[nH]c(=O)ccc23)cc1 ZINC000035951234 208137298 /nfs/dbraw/zinc/13/72/98/208137298.db2.gz IHOXNOQMRZISPV-ORAYPTAESA-N 0 3 368.433 2.497 10 0 in-vitro FEAEHN COc1ccc(C[C@H](C)[NH2+]C[C@H](O)c2ccc([O-])c3[nH]c(=O)ccc23)cc1 ZINC000034517665 208106182 /nfs/dbraw/zinc/10/61/82/208106182.db2.gz IHOXNOQMRZISPV-DJJJIMSYSA-N 0 3 368.433 2.497 10 0 in-vitro FEAEHN O=C(NC1CC1)c1ccc(N2CC[C@H](NCc3ccc(O)cc3)C2)nc1 ZINC000065256996 208654582 /nfs/dbraw/zinc/65/45/82/208654582.db2.gz XCDAQGBGMFAUJY-KRWDZBQOSA-N 0 3 352.438 2.048 10 0 FEAEHN O=C(NCc1ccco1)[C@@H]1CCO[C@@H]2CCN(Cc3ccccn3)C[C@H]21 ZINC000096043348 209101030 /nfs/dbraw/zinc/10/10/30/209101030.db2.gz GEQVMUFCRNOSIV-CEXWTWQISA-N 0 3 355.438 2.218 10 0 FEAEHN CCN1CC[C@]2(CN(Cc3c(C)nc4ccccn43)CCN2C)CCC1=O ZINC000091706566 542820508 /nfs/dbraw/zinc/82/05/08/542820508.db2.gz IKLGNKZSFPRDHP-NRFANRHFSA-N 0 3 369.513 2.161 10 0 FEAEHN Cc1nc(C[C@@H]2CCCN(Cc3ccccc3OCC(=O)N(C)C)C2)no1 ZINC000092814081 542888224 /nfs/dbraw/zinc/88/82/24/542888224.db2.gz VVEZJHHOKFTDBZ-INIZCTEOSA-N 0 3 372.469 2.300 10 0 FEAEHN CCC[C@H](C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1)N(C)C ZINC000094132728 542953072 /nfs/dbraw/zinc/95/30/72/542953072.db2.gz PXIJIUOJJJZCSQ-GOSISDBHSA-N 0 3 360.502 2.181 10 0 FEAEHN C[C@]1(CO)CCCN(Cc2cn(C3CCN(c4ccncc4)CC3)nn2)C1 ZINC000023310682 136152663 /nfs/dbraw/zinc/15/26/63/136152663.db2.gz QCESAJYYPARERH-FQEVSTJZSA-N 0 3 370.501 2.109 10 0 FEAEHN O=C(Nc1ccc(CCN2CCOCC2)cc1)N1CCN2CCCC[C@@H]2C1 ZINC000105013082 543154918 /nfs/dbraw/zinc/15/49/18/543154918.db2.gz YMTVJCTUIZKCIU-HXUWFJFHSA-N 0 3 372.513 2.263 10 0 FEAEHN O[C@@H](COc1ccc(Cl)cc1)CN1CCC(Nc2cccnn2)CC1 ZINC000106081161 543192627 /nfs/dbraw/zinc/19/26/27/543192627.db2.gz IMJUYJMXEYCVBN-MRXNPFEDSA-N 0 3 362.861 2.446 10 0 FEAEHN C[C@@H](O)CN1CCN(Cc2cc3c(cc2Br)OCO3)C[C@@H]1C ZINC000106100146 543196624 /nfs/dbraw/zinc/19/66/24/543196624.db2.gz APHGMPLSMBYGIU-NWDGAFQWSA-N 0 3 371.275 2.065 10 0 FEAEHN Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC[C@H](Cn2cncn2)C1 ZINC000106173105 543212422 /nfs/dbraw/zinc/21/24/22/543212422.db2.gz REQHORAYLLQAMS-MSOLQXFVSA-N 0 3 355.486 2.346 10 0 FEAEHN Cc1nc(C)n(C[C@H]2CCCN(C[C@H](O)COc3ccccc3C)C2)n1 ZINC000106177210 543213834 /nfs/dbraw/zinc/21/38/34/543213834.db2.gz QJMKUGXIOMWWHM-OALUTQOASA-N 0 3 358.486 2.355 10 0 FEAEHN Cc1nc(C)n(C[C@@H]2CCCN(C[C@H](O)COc3ccc(F)cc3)C2)n1 ZINC000106178857 543213882 /nfs/dbraw/zinc/21/38/82/543213882.db2.gz QDTRAFAEAKSQAS-AEFFLSMTSA-N 0 3 362.449 2.186 10 0 FEAEHN COc1ccc(CN[C@H]2CCCN(c3cccnn3)C2)c(OC)c1OC ZINC000109071273 543313583 /nfs/dbraw/zinc/31/35/83/543313583.db2.gz YTTGPHWBRUXCKO-HNNXBMFYSA-N 0 3 358.442 2.261 10 0 FEAEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000111835449 543418498 /nfs/dbraw/zinc/41/84/98/543418498.db2.gz GYKNCWGWXIXFEJ-SJORKVTESA-N 0 3 374.510 2.399 10 0 FEAEHN COc1ccccc1C(=O)NCC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000123643013 543774265 /nfs/dbraw/zinc/77/42/65/543774265.db2.gz HSYWTVFSGBFBPV-INIZCTEOSA-N 0 3 369.465 2.062 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2C)C1 ZINC000125125973 543862273 /nfs/dbraw/zinc/86/22/73/543862273.db2.gz LFTRIOSHYCZISD-KRWDZBQOSA-N 0 3 374.485 2.073 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)/C=C/c3ccc(O)cc3)CC2)nc1 ZINC000125303765 543873750 /nfs/dbraw/zinc/87/37/50/543873750.db2.gz PSKZHGDZAMGYJD-UXBLZVDNSA-N 0 3 366.465 2.211 10 0 FEAEHN CCNc1nnc(S(=O)(=O)C(C)C(=O)N[C@@H](C)c2ccccc2)s1 ZINC000127807774 544014429 /nfs/dbraw/zinc/01/44/29/544014429.db2.gz MNYSUUWLDYKGDY-WDEREUQCSA-N 0 3 368.484 2.010 10 0 FEAEHN CN(Cc1csc(Br)c1)C(=O)C(C)(C)N1CCNCC1 ZINC000129710805 544124180 /nfs/dbraw/zinc/12/41/80/544124180.db2.gz UUXAPLYHDDINAR-UHFFFAOYSA-N 0 3 360.321 2.153 10 0 FEAEHN COc1ccc(NC(=O)C(C)(C)N2CCNCC2)cc1Br ZINC000129778860 544126519 /nfs/dbraw/zinc/12/65/19/544126519.db2.gz TYEDCJJDCJKACY-UHFFFAOYSA-N 0 3 356.264 2.080 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152298234 544635463 /nfs/dbraw/zinc/63/54/63/544635463.db2.gz XXDCQDJXXYYJMA-IAGOWNOFSA-N 0 3 362.522 2.063 10 0 FEAEHN CSCCCCNC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000153644088 544802869 /nfs/dbraw/zinc/80/28/69/544802869.db2.gz RLXJAWLRGLDOBF-UHFFFAOYSA-N 0 3 365.547 2.118 10 0 FEAEHN CN(C)C[C@H](NC(=O)N[C@@H]1CCN(c2ncccc2F)C1)c1ccccc1 ZINC000153839757 544830447 /nfs/dbraw/zinc/83/04/47/544830447.db2.gz OMDATBKVXSAJTH-AEFFLSMTSA-N 0 3 371.460 2.402 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccnn1-c1ccccc1C ZINC000154084702 544861402 /nfs/dbraw/zinc/86/14/02/544861402.db2.gz QGYCMLYKJQGKSI-INIZCTEOSA-N 0 3 369.469 2.062 10 0 FEAEHN O[C@H](COCc1ccc(Cl)cc1)CN1CCC[C@@H](n2cncn2)C1 ZINC000247539361 549352920 /nfs/dbraw/zinc/35/29/20/549352920.db2.gz CWFDNNHZYMZGPI-SJORKVTESA-N 0 3 350.850 2.146 10 0 FEAEHN CC(C)c1nnc2n1C[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)CC2 ZINC000180515229 327689017 /nfs/dbraw/zinc/68/90/17/327689017.db2.gz ATLQDYCOALAXNR-ZFWWWQNUSA-N 0 3 362.499 2.471 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)CC2 ZINC000180627241 327694411 /nfs/dbraw/zinc/69/44/11/327694411.db2.gz XAIYKWKUDUFCFD-AAEUAGOBSA-N 0 3 366.462 2.049 10 0 FEAEHN C[C@H](NCCn1cnc2ccccc2c1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000182188872 327764736 /nfs/dbraw/zinc/76/47/36/327764736.db2.gz QQMCXAGWYDLXLI-AWEZNQCLSA-N 0 3 371.462 2.151 10 0 FEAEHN COc1ccccc1CCCN1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000182439069 327775545 /nfs/dbraw/zinc/77/55/45/327775545.db2.gz WLYOMCNUXCJWKZ-UHFFFAOYSA-N 0 3 366.469 2.196 10 0 FEAEHN Cc1cc(N2CCN(CCCc3cccc(F)c3)CC2)n2ncnc2n1 ZINC000182748391 327787362 /nfs/dbraw/zinc/78/73/62/327787362.db2.gz IYZDHCRKQUGITD-UHFFFAOYSA-N 0 3 354.433 2.327 10 0 FEAEHN CN1CCC(NC(=O)N2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)CC1 ZINC000183672189 327830088 /nfs/dbraw/zinc/83/00/88/327830088.db2.gz IFCFAKULZWPEFT-BPUTZDHNSA-N 0 3 366.506 2.025 10 0 FEAEHN CCO[C@H]1C[C@H](NCc2cnc(N3CCOCC3)s2)C12CCOCC2 ZINC000185662143 327926835 /nfs/dbraw/zinc/92/68/35/327926835.db2.gz VWNQLAHIZZIMMX-HOTGVXAUSA-N 0 3 367.515 2.044 10 0 FEAEHN CCN(CCO)CCNC(=O)N[C@H](C)c1ccccc1Br ZINC000187083457 328001199 /nfs/dbraw/zinc/00/11/99/328001199.db2.gz MGLZGYNJPJLSDK-GFCCVEGCSA-N 0 3 358.280 2.124 10 0 FEAEHN C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CC(NC(=O)C3CC3)C2)CC1 ZINC000187133119 328004087 /nfs/dbraw/zinc/00/40/87/328004087.db2.gz YUBFTHVDDSMBKK-HNNXBMFYSA-N 0 3 370.497 2.132 10 0 FEAEHN C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC(NC(=O)C3CC3)C2)CC1 ZINC000187133140 328004115 /nfs/dbraw/zinc/00/41/15/328004115.db2.gz YUBFTHVDDSMBKK-OAHLLOKOSA-N 0 3 370.497 2.132 10 0 FEAEHN CNC(=O)[C@H](NC(=O)NC[C@]1(C)CCCN1Cc1ccccc1)C(C)C ZINC000187231034 328010174 /nfs/dbraw/zinc/01/01/74/328010174.db2.gz VRTBPZDQBYTSIV-XLIONFOSSA-N 0 3 360.502 2.111 10 0 FEAEHN CCCCOc1cc(OC)ccc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000187701371 328040561 /nfs/dbraw/zinc/04/05/61/328040561.db2.gz JGTXIWYVSTZXMC-MRXNPFEDSA-N 0 3 364.486 2.451 10 0 FEAEHN Cc1cnn(CCNC(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)c1 ZINC000188044241 328062356 /nfs/dbraw/zinc/06/23/56/328062356.db2.gz ZIUVWSIVWUMBHW-IBGZPJMESA-N 0 3 355.486 2.401 10 0 FEAEHN CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2CCCO[C@@H]2C)CC1 ZINC000188641654 328100672 /nfs/dbraw/zinc/10/06/72/328100672.db2.gz GMZNBQIKIKPFIP-YLJYHZDGSA-N 0 3 359.514 2.255 10 0 FEAEHN CCc1ccccc1CC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000188766139 328109504 /nfs/dbraw/zinc/10/95/04/328109504.db2.gz YHGGOWYMFTZZPF-NRFANRHFSA-N 0 3 352.478 2.327 10 0 FEAEHN CC[C@H]1CN(CCC(=O)N2CCc3ccccc3C2)CCN1CCOC ZINC000189009996 328123319 /nfs/dbraw/zinc/12/33/19/328123319.db2.gz LQDWYJBRWFICGU-FQEVSTJZSA-N 0 3 359.514 2.004 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)Cc2c(C)n[nH]c2C)C1 ZINC000190072113 328185737 /nfs/dbraw/zinc/18/57/37/328185737.db2.gz QQJJLUBBUWVIEZ-HNNXBMFYSA-N 0 3 361.515 2.314 10 0 FEAEHN CC(C)OCc1ccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1 ZINC000190084391 328186941 /nfs/dbraw/zinc/18/69/41/328186941.db2.gz ZGGKNDRTECBFJF-CRAIPNDOSA-N 0 3 359.470 2.245 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C2CCCCC2)nn1C ZINC000190085868 328187144 /nfs/dbraw/zinc/18/71/44/328187144.db2.gz GMJNJZXMPVXVHJ-GDBMZVCRSA-N 0 3 373.501 2.101 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1CC(F)(F)F ZINC000190105006 328188429 /nfs/dbraw/zinc/18/84/29/328188429.db2.gz AAQOFUKSGFODRJ-GXTWGEPZSA-N 0 3 369.387 2.425 10 0 FEAEHN CO[C@@H](C)[C@H](C)NC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000190229109 328195712 /nfs/dbraw/zinc/19/57/12/328195712.db2.gz BTULPMQLQBDQOR-TXPKVOOTSA-N 0 3 363.502 2.155 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCCc2ccc(F)cc21 ZINC000190347042 328201656 /nfs/dbraw/zinc/20/16/56/328201656.db2.gz NRLACAMPSJXWPW-IAGOWNOFSA-N 0 3 359.445 2.190 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccnn1-c1nc(C)cc(C)n1 ZINC000190396694 328205384 /nfs/dbraw/zinc/20/53/84/328205384.db2.gz MKIGACCAOWQFPB-HNNXBMFYSA-N 0 3 357.462 2.227 10 0 FEAEHN CC(C)[C@H](C)NC(=O)CN1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190510469 328212624 /nfs/dbraw/zinc/21/26/24/328212624.db2.gz DGOPRZMNODPBIR-IRXDYDNUSA-N 0 3 369.550 2.275 10 0 FEAEHN Cc1cnn(CCC(=O)N2CC[C@@H](CN(C)Cc3scnc3C)C2)c1 ZINC000190513897 328212836 /nfs/dbraw/zinc/21/28/36/328212836.db2.gz MQIRGRAEKOOESD-INIZCTEOSA-N 0 3 361.515 2.327 10 0 FEAEHN CNc1snc(C)c1C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190648843 328222114 /nfs/dbraw/zinc/22/21/14/328222114.db2.gz PHFHYPRLFSZCMH-HNNXBMFYSA-N 0 3 359.499 2.482 10 0 FEAEHN COCC[C@H](C)NC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000190704670 328226040 /nfs/dbraw/zinc/22/60/40/328226040.db2.gz CGYLXUSDSKJARN-DZGCQCFKSA-N 0 3 354.520 2.340 10 0 FEAEHN CN(C)c1ccnc(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190713686 328226813 /nfs/dbraw/zinc/22/68/13/328226813.db2.gz JMVPCHHPZTUJCM-QGZVFWFLSA-N 0 3 353.470 2.137 10 0 FEAEHN Cc1nn(C)cc1[C@@H](C)NC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190715635 328227118 /nfs/dbraw/zinc/22/71/18/328227118.db2.gz KXDLVNABNUCYGE-CRAIPNDOSA-N 0 3 370.501 2.348 10 0 FEAEHN CCC[C@@H](C(=O)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1)N(C)C ZINC000191588491 328273087 /nfs/dbraw/zinc/27/30/87/328273087.db2.gz GIBMIBKFWIYZOK-SJORKVTESA-N 0 3 369.550 2.371 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)C2(c3ccccc3Br)CC2)CCO1 ZINC000191718273 328278737 /nfs/dbraw/zinc/27/87/37/328278737.db2.gz VHKXNXDTDQBOTA-ZDUSSCGKSA-N 0 3 367.287 2.270 10 0 FEAEHN Cc1cc([N-]C(=O)C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)on1 ZINC000191905318 328287987 /nfs/dbraw/zinc/28/79/87/328287987.db2.gz JCYGNHXSPYVAMA-OLZOCXBDSA-N 0 3 352.435 2.205 10 0 FEAEHN Cc1cc(NC(=O)CN[C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)on1 ZINC000191905318 328287988 /nfs/dbraw/zinc/28/79/88/328287988.db2.gz JCYGNHXSPYVAMA-OLZOCXBDSA-N 0 3 352.435 2.205 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](NCc1ccc3c(c1)sc(=O)n3C)CC2 ZINC000192541278 328324568 /nfs/dbraw/zinc/32/45/68/328324568.db2.gz SGQCCLPXTNQHND-CYBMUJFWSA-N 0 3 357.483 2.420 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2cnc(Cl)cn2)C1 ZINC000192940504 328348099 /nfs/dbraw/zinc/34/80/99/328348099.db2.gz MWZWTSDOBRJHIN-LBPRGKRZSA-N 0 3 365.890 2.489 10 0 FEAEHN C[C@H]1[NH2+]CCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000193450631 328376137 /nfs/dbraw/zinc/37/61/37/328376137.db2.gz FRQFPGDEWDPVJF-LDYMZIIASA-N 0 3 351.241 2.007 10 0 FEAEHN CCC[C@@H](N)C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000236922432 328498333 /nfs/dbraw/zinc/49/83/33/328498333.db2.gz CQIGJOJTBZSMLM-GFCCVEGCSA-N 0 3 360.321 2.282 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000079200175 325080825 /nfs/dbraw/zinc/08/08/25/325080825.db2.gz QLIPQJGMCDIRFZ-NSHDSACASA-N 0 3 374.407 2.318 10 0 FEAEHN Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000083711011 325222774 /nfs/dbraw/zinc/22/27/74/325222774.db2.gz DAFGTNFKXWDNSQ-ZWKOTPCHSA-N 0 3 368.485 2.385 10 0 FEAEHN O=C1c2ccccc2C(=O)N1CCCN1CCC(Cn2cccn2)CC1 ZINC000106185060 325589750 /nfs/dbraw/zinc/58/97/50/325589750.db2.gz COILVXHTLTWHFI-UHFFFAOYSA-N 0 3 352.438 2.281 10 0 FEAEHN COc1cc(OC)c(OC)cc1CN[C@@H]1CCCN(c2cccnn2)C1 ZINC000109070738 325657678 /nfs/dbraw/zinc/65/76/78/325657678.db2.gz CURASIJJFXJGRY-OAHLLOKOSA-N 0 3 358.442 2.261 10 0 FEAEHN CNc1cc(N2CCC[C@@H]2CNCc2cc(OC)cc(OC)c2)ncn1 ZINC000109070244 325657995 /nfs/dbraw/zinc/65/79/95/325657995.db2.gz FRIDNXFJZUPEIJ-OAHLLOKOSA-N 0 3 357.458 2.294 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)/C=C/c3cncc(F)c3)CC2)nc1 ZINC000114413994 325890425 /nfs/dbraw/zinc/89/04/25/325890425.db2.gz SRBRABAIDNOWTO-GQCTYLIASA-N 0 3 369.444 2.039 10 0 FEAEHN COc1ccccc1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000114415640 325891167 /nfs/dbraw/zinc/89/11/67/325891167.db2.gz ZVEVPZRKBFOJMQ-UHFFFAOYSA-N 0 3 354.454 2.114 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245675494 328565564 /nfs/dbraw/zinc/56/55/64/328565564.db2.gz SZLWCSDOFDHVCZ-IGCXYCKISA-N 0 3 367.852 2.161 10 0 FEAEHN CN(CCCNC(=O)N1CC[C@@H](c2cnn(C)c2)C1)Cc1ccccc1 ZINC000116415880 326012818 /nfs/dbraw/zinc/01/28/18/326012818.db2.gz CXNMTLNVLIRBFN-GOSISDBHSA-N 0 3 355.486 2.441 10 0 FEAEHN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000118800139 326102976 /nfs/dbraw/zinc/10/29/76/326102976.db2.gz UVLICURHJBHYSX-MRXNPFEDSA-N 0 3 374.485 2.025 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)CCO1 ZINC000118807026 326103654 /nfs/dbraw/zinc/10/36/54/326103654.db2.gz WWZNGMDTJMFQHI-GOSISDBHSA-N 0 3 374.485 2.153 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000120378621 326253847 /nfs/dbraw/zinc/25/38/47/326253847.db2.gz KHCOHKNEDZSFHY-QAPCUYQASA-N 0 3 374.485 2.009 10 0 FEAEHN CCc1ccc([C@H](C)NCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000120441256 326259211 /nfs/dbraw/zinc/25/92/11/326259211.db2.gz HGHBLKTUAIAGQD-ZDUSSCGKSA-N 0 3 361.467 2.186 10 0 FEAEHN CC[C@H]1CN(Cc2ccc(O[C@@H](C)C(=O)OC)cc2)CCN1CCOC ZINC000120971395 326303264 /nfs/dbraw/zinc/30/32/64/326303264.db2.gz XRBCAJKDWFMYQV-WMZOPIPTSA-N 0 3 364.486 2.170 10 0 FEAEHN Cc1cccn2c(CN(C)C3CCN(CCn4cccn4)CC3)cnc12 ZINC000121220991 326322722 /nfs/dbraw/zinc/32/27/22/326322722.db2.gz TVGNOSMXMXRVNG-UHFFFAOYSA-N 0 3 352.486 2.436 10 0 FEAEHN C[C@H](NC(=O)N1CCN(C2CCCCC2)CC1)c1nnc2n1CCCC2 ZINC000121457510 326340202 /nfs/dbraw/zinc/34/02/02/326340202.db2.gz IXGJOUCMRUSXIW-HNNXBMFYSA-N 0 3 360.506 2.335 10 0 FEAEHN O=C(NCc1csc(-c2ccco2)n1)NC[C@H](O)CN1CCCCC1 ZINC000121597199 326350617 /nfs/dbraw/zinc/35/06/17/326350617.db2.gz HYQKLAPLKAURAV-AWEZNQCLSA-N 0 3 364.471 2.049 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@H](C)CS(=O)(=O)c1ccccc1)CC2 ZINC000122892008 326413172 /nfs/dbraw/zinc/41/31/72/326413172.db2.gz ZXBBPWNAHPRLMQ-HUUCEWRRSA-N 0 3 362.499 2.168 10 0 FEAEHN CCC[C@@H](C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1)N(C)C ZINC000134432073 326625574 /nfs/dbraw/zinc/62/55/74/326625574.db2.gz YMXCKHSUYDDTFR-INIZCTEOSA-N 0 3 351.878 2.355 10 0 FEAEHN COc1ccc(C(=O)N2CC[C@H](N(C)C)C2)c(I)c1 ZINC000154434973 326759943 /nfs/dbraw/zinc/75/99/43/326759943.db2.gz SVYDJKKWMNNEAI-JTQLQIEISA-N 0 3 374.222 2.076 10 0 FEAEHN CN(C)C[C@@H]1CN(CC(=O)Nc2nc(-c3cccs3)cs2)CCO1 ZINC000155352482 326785703 /nfs/dbraw/zinc/78/57/03/326785703.db2.gz IKYIANAQDCVOFG-GFCCVEGCSA-N 0 3 366.512 2.073 10 0 FEAEHN CC(C)(C)OC[C@H](O)CN1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000157846200 326877186 /nfs/dbraw/zinc/87/71/86/326877186.db2.gz JXROEIVBSVCFHD-QGZVFWFLSA-N 0 3 355.523 2.259 10 0 FEAEHN CC(C)C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1nc(-c2nc[n-]n2)no1 ZINC000161745912 327008345 /nfs/dbraw/zinc/00/83/45/327008345.db2.gz OPAZUXCZQBQVAC-ZDUSSCGKSA-N 0 3 362.434 2.217 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000170844981 327102300 /nfs/dbraw/zinc/10/23/00/327102300.db2.gz BYLOUSWALYXBIZ-GOSISDBHSA-N 0 3 351.450 2.378 10 0 FEAEHN Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170843752 327102341 /nfs/dbraw/zinc/10/23/41/327102341.db2.gz HFZOBTCDMPQWFY-QGZVFWFLSA-N 0 3 352.438 2.158 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)C1 ZINC000170858298 327103043 /nfs/dbraw/zinc/10/30/43/327103043.db2.gz MZVUOYWRBKUTAV-IAGOWNOFSA-N 0 3 351.450 2.355 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)C1 ZINC000170862774 327103127 /nfs/dbraw/zinc/10/31/27/327103127.db2.gz ALTJHRQZKIKIRH-IRXDYDNUSA-N 0 3 371.506 2.252 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)C1 ZINC000170862970 327103798 /nfs/dbraw/zinc/10/37/98/327103798.db2.gz JQNNMASDNLJMMM-GOSISDBHSA-N 0 3 352.434 2.459 10 0 FEAEHN COc1ccc(-c2noc(CCCC(=O)N3CC[C@H](N(C)C)C3)n2)cc1 ZINC000170866486 327104205 /nfs/dbraw/zinc/10/42/05/327104205.db2.gz GTZSQOXOEPEXRS-HNNXBMFYSA-N 0 3 358.442 2.230 10 0 FEAEHN CC(C)(C)OC(=O)NC[C@H]1CCN(C[C@H](O)COCc2ccccc2)C1 ZINC000171346408 327133798 /nfs/dbraw/zinc/13/37/98/327133798.db2.gz LKPAISZPLUTWAN-MSOLQXFVSA-N 0 3 364.486 2.411 10 0 FEAEHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)c2cccs2)CC1 ZINC000171414073 327137998 /nfs/dbraw/zinc/13/79/98/327137998.db2.gz FGTCWPJNJWRMJZ-CQSZACIVSA-N 0 3 352.504 2.005 10 0 FEAEHN O=C(c1ccc(OCC(F)(F)C(F)F)nc1)N1CCN2CCC[C@H]2C1 ZINC000171471200 327141614 /nfs/dbraw/zinc/14/16/14/327141614.db2.gz ZJKDRWBEIQSTDQ-LBPRGKRZSA-N 0 3 361.339 2.281 10 0 FEAEHN O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@H](n2cncn2)C1 ZINC000171661549 327152971 /nfs/dbraw/zinc/15/29/71/327152971.db2.gz JCFGHZQLDRGYPO-MJGOQNOKSA-N 0 3 371.460 2.493 10 0 FEAEHN Cn1ccnc1COc1ccc(CN2CCC[C@@H](n3cncn3)C2)cc1 ZINC000171705855 327156341 /nfs/dbraw/zinc/15/63/41/327156341.db2.gz NWUAQPWGAQVXNW-QGZVFWFLSA-N 0 3 352.442 2.428 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NCCOc2ccc(C(C)(C)C)cc2)CCO1 ZINC000172116760 327181773 /nfs/dbraw/zinc/18/17/73/327181773.db2.gz QJTUOGPPPYXBHD-SFHVURJKSA-N 0 3 363.502 2.335 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)N[C@H]2CCOc3c(Cl)cccc32)CCO1 ZINC000172127442 327182295 /nfs/dbraw/zinc/18/22/95/327182295.db2.gz SUPSVIBNWUEYAL-WFASDCNBSA-N 0 3 353.850 2.136 10 0 FEAEHN CCCS(=O)(=O)Nc1ccc(NC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000172574719 327209290 /nfs/dbraw/zinc/20/92/90/327209290.db2.gz OJKBOIIRAGBBAI-INIZCTEOSA-N 0 3 366.487 2.150 10 0 FEAEHN CCCCS(=O)(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000172662684 327213916 /nfs/dbraw/zinc/21/39/16/327213916.db2.gz DOUKLXSTGXLOFL-GOSISDBHSA-N 0 3 354.516 2.152 10 0 FEAEHN COC(=O)c1ccsc1N1CC[C@@H](N2CCC(c3ccn[nH]3)CC2)C1=O ZINC000173877410 327290609 /nfs/dbraw/zinc/29/06/09/327290609.db2.gz JPYCPKRQJUURDO-OAHLLOKOSA-N 0 3 374.466 2.243 10 0 FEAEHN COc1ccc([C@H](C)NC(=O)Nc2ccn(CCN(C)C)n2)cc1OC ZINC000173913669 327293952 /nfs/dbraw/zinc/29/39/52/327293952.db2.gz PBGBXZDKXLVZJC-ZDUSSCGKSA-N 0 3 361.446 2.345 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000174233004 327314597 /nfs/dbraw/zinc/31/45/97/327314597.db2.gz MLAMOARGBPDWEB-QGZVFWFLSA-N 0 3 359.449 2.337 10 0 FEAEHN CC(=O)c1ccccc1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000174863113 327355877 /nfs/dbraw/zinc/35/58/77/327355877.db2.gz OMFIJMDTWPYWOI-UHFFFAOYSA-N 0 3 366.465 2.308 10 0 FEAEHN Cc1ccc([C@H](CN[C@@H]2CCCN(C(C)C)C2=O)N2CCOCC2)s1 ZINC000175017055 327368397 /nfs/dbraw/zinc/36/83/97/327368397.db2.gz OVDCPAPJNUDTKL-SJORKVTESA-N 0 3 365.543 2.419 10 0 FEAEHN C[C@@H](CNC(=O)NC[C@H](O)CN1CCCCC1)Oc1cccc(Cl)c1 ZINC000176145682 327437246 /nfs/dbraw/zinc/43/72/46/327437246.db2.gz DKQHDICUYULTRU-HOCLYGCPSA-N 0 3 369.893 2.253 10 0 FEAEHN O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@H]1CCCn2ncnc21 ZINC000177350467 327515788 /nfs/dbraw/zinc/51/57/88/327515788.db2.gz AIQGTOIEXWATAS-DLBZAZTESA-N 0 3 354.458 2.249 10 0 FEAEHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)N[C@H]1CCCn2ncnc21 ZINC000177350485 327516086 /nfs/dbraw/zinc/51/60/86/327516086.db2.gz AIQGTOIEXWATAS-IRXDYDNUSA-N 0 3 354.458 2.249 10 0 FEAEHN NC1(C(=O)N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)CCCC1 ZINC000178785713 327606796 /nfs/dbraw/zinc/60/67/96/327606796.db2.gz QZUJAZRBIBFDEQ-UHFFFAOYSA-N 0 3 354.454 2.257 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2cnn(C(C)(C)C)c2C(F)(F)F)n1 ZINC000263276825 328929885 /nfs/dbraw/zinc/92/98/85/328929885.db2.gz SYBNPPGEHGGAKX-SNVBAGLBSA-N 0 3 358.368 2.283 10 0 FEAEHN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCO[C@H](CN(C)C)C1 ZINC000155302690 545507687 /nfs/dbraw/zinc/50/76/87/545507687.db2.gz GCALCYRDBYKROK-QWHCGFSZSA-N 0 3 359.392 2.295 10 0 FEAEHN Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CCO[C@H](CN(C)C)C1 ZINC000155318334 545511102 /nfs/dbraw/zinc/51/11/02/545511102.db2.gz VBMZMSMRMRYGSJ-RTBURBONSA-N 0 3 364.530 2.295 10 0 FEAEHN CCc1noc([C@H](C)N2CCN(C(=O)c3cccc(CN(C)C)c3)CC2)n1 ZINC000156405807 545625564 /nfs/dbraw/zinc/62/55/64/545625564.db2.gz YGEGVRZRQZGXBH-HNNXBMFYSA-N 0 3 371.485 2.213 10 0 FEAEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000157261081 545719452 /nfs/dbraw/zinc/71/94/52/545719452.db2.gz CYFOZSYECDUSSE-HXUWFJFHSA-N 0 3 369.513 2.478 10 0 FEAEHN CC(C)[C@H](C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C)n1nnc(-c2ccccc2)n1 ZINC000158820973 545897827 /nfs/dbraw/zinc/89/78/27/545897827.db2.gz QCNWJCRQKYSYJH-RYQLBKOJSA-N 0 3 370.501 2.382 10 0 FEAEHN O=C(CCOCc1ccccc1)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000159196642 545930530 /nfs/dbraw/zinc/93/05/30/545930530.db2.gz KZXCTMYKOYSEIM-NRFANRHFSA-N 0 3 368.477 2.129 10 0 FEAEHN Cc1[nH]c2ccccc2c1CCNC(=O)NC[C@H](O)CN1CCCCC1 ZINC000171206040 546196870 /nfs/dbraw/zinc/19/68/70/546196870.db2.gz FHWFHPYHCBJXQV-INIZCTEOSA-N 0 3 358.486 2.165 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCN(c3ncnc4ccsc43)CC2)C1 ZINC000174233739 546293385 /nfs/dbraw/zinc/29/33/85/546293385.db2.gz SVRNAKDRGMZMBI-CQSZACIVSA-N 0 3 374.514 2.007 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccccc1CN1CCOCC1 ZINC000176314172 546431123 /nfs/dbraw/zinc/43/11/23/546431123.db2.gz IKGSOIOPPMFWJF-GOSISDBHSA-N 0 3 360.502 2.467 10 0 FEAEHN CC(C)OCCN1CCC(NC(=O)[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000176687251 546476430 /nfs/dbraw/zinc/47/64/30/546476430.db2.gz UPEXVXYQPLWAHD-FQEVSTJZSA-N 0 3 361.530 2.165 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000177013260 546523793 /nfs/dbraw/zinc/52/37/93/546523793.db2.gz WEZFFCMYYMIJRC-WBVHZDCISA-N 0 3 363.527 2.224 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(Cl)ccc1N(C)C ZINC000177071192 546539009 /nfs/dbraw/zinc/53/90/09/546539009.db2.gz OYUUUSPIIVKARK-CQSZACIVSA-N 0 3 366.893 2.287 10 0 FEAEHN CCC(CC)[C@@H](CNC(=O)N(C)C[C@H]1CCCN1CC)N1CCOCC1 ZINC000177344713 546598091 /nfs/dbraw/zinc/59/80/91/546598091.db2.gz SDFAQGQOQOGGAO-RTBURBONSA-N 0 3 368.566 2.249 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCCc1cccc(C(=O)N(C)C)c1 ZINC000177545770 546641346 /nfs/dbraw/zinc/64/13/46/546641346.db2.gz KTEHOWWHTKTDMS-SFHVURJKSA-N 0 3 360.502 2.057 10 0 FEAEHN CCN1CCC[C@H]1CN(C)[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000177704430 546671368 /nfs/dbraw/zinc/67/13/68/546671368.db2.gz IUAZDCRJKWIUMZ-RDJZCZTQSA-N 0 3 363.502 2.125 10 0 FEAEHN CC(=O)Nc1cccc(NC(=O)CN2CCC[C@H]2Cn2ccnc2C)c1 ZINC000178308879 546773313 /nfs/dbraw/zinc/77/33/13/546773313.db2.gz AGYCPGPFMLDHKC-SFHVURJKSA-N 0 3 355.442 2.253 10 0 FEAEHN COc1c(C)ccc(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)c1C ZINC000178626498 546822853 /nfs/dbraw/zinc/82/28/53/546822853.db2.gz VJWGHTSOKQMLOP-MRXNPFEDSA-N 0 3 361.486 2.487 10 0 FEAEHN COC(=O)c1ccc(NC(=O)CN2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000178745513 546842179 /nfs/dbraw/zinc/84/21/79/546842179.db2.gz BWBBACYLFQGGQX-KRWDZBQOSA-N 0 3 356.426 2.081 10 0 FEAEHN COCc1ccc(CNC(=O)CN2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000178750828 546843185 /nfs/dbraw/zinc/84/31/85/546843185.db2.gz XBQDKMFIUOULGF-IBGZPJMESA-N 0 3 356.470 2.119 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000178752428 546844618 /nfs/dbraw/zinc/84/46/18/546844618.db2.gz JRBWZNKMAUWKSU-YTQUADARSA-N 0 3 362.518 2.367 10 0 FEAEHN O=C(N1CCN2CCC[C@@H]2C1)C1(c2ccc(F)cc2F)CCOCC1 ZINC000179479709 546961851 /nfs/dbraw/zinc/96/18/51/546961851.db2.gz JUUGVVZWVHBKIW-OAHLLOKOSA-N 0 3 350.409 2.320 10 0 FEAEHN CCN1CC[C@H](NC(=O)NCCN(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179965141 547033711 /nfs/dbraw/zinc/03/37/11/547033711.db2.gz PEWGEHMHCYSINB-HOTGVXAUSA-N 0 3 356.873 2.475 10 0 FEAEHN CC(=O)c1cccc(OCc2cc(C(=O)N3CC[C@@H](N(C)C)C3)no2)c1 ZINC000180145347 547057705 /nfs/dbraw/zinc/05/77/05/547057705.db2.gz RAMFTVSBOAITAS-OAHLLOKOSA-N 0 3 357.410 2.232 10 0 FEAEHN Cc1c(C(=O)N(C)C2CCN(CCn3cccn3)CC2)cnn1C(C)C ZINC000180204244 547066363 /nfs/dbraw/zinc/06/63/63/547066363.db2.gz JBAIYLYBYSWAFA-UHFFFAOYSA-N 0 3 358.490 2.206 10 0 FEAEHN CCOc1c(OC)cc(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1OC ZINC000180234851 547071527 /nfs/dbraw/zinc/07/15/27/547071527.db2.gz WAZOMRSZNDHNAX-NVXWUHKLSA-N 0 3 364.486 2.255 10 0 FEAEHN COCCn1ccc2ccc(NC(=O)N3CCO[C@H](CN(C)C)C3)cc21 ZINC000181289527 547287447 /nfs/dbraw/zinc/28/74/47/547287447.db2.gz PAQGNRZFUUJXQX-QGZVFWFLSA-N 0 3 360.458 2.082 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCCCOC1CCOCC1 ZINC000181322246 547292990 /nfs/dbraw/zinc/29/29/90/547292990.db2.gz UBFMEDYYWNNVQV-KRWDZBQOSA-N 0 3 363.502 2.392 10 0 FEAEHN CC[C@@H]1CN(CC2CCN(C(=O)C(C)(C)C)CC2)CCN1CCOC ZINC000181688787 547361499 /nfs/dbraw/zinc/36/14/99/547361499.db2.gz TYHCCVIHZSGPEE-GOSISDBHSA-N 0 3 353.551 2.314 10 0 FEAEHN CC(C)c1nnc2n1C[C@H](NC(=O)N(CCN(C)C)C1CCCC1)CC2 ZINC000181700952 547363779 /nfs/dbraw/zinc/36/37/79/547363779.db2.gz QBQPMZHTRFFCNM-OAHLLOKOSA-N 0 3 362.522 2.232 10 0 FEAEHN CCOc1cc(CN[C@@H](C)[C@H]2CCCO2)nc2nc(C(F)(F)F)nn21 ZINC000183165092 547614002 /nfs/dbraw/zinc/61/40/02/547614002.db2.gz GSSJDHWNJSMBIK-GXSJLCMTSA-N 0 3 359.352 2.199 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)C1 ZINC000183526075 547675306 /nfs/dbraw/zinc/67/53/06/547675306.db2.gz OUWPJUOEEYVQGS-TZMCWYRMSA-N 0 3 354.857 2.403 10 0 FEAEHN Cc1nnc(C(=O)N(C)CC2CCN(C[C@H](O)c3ccccc3)CC2)s1 ZINC000185471714 547988739 /nfs/dbraw/zinc/98/87/39/547988739.db2.gz TUEVFRGRYISSHV-KRWDZBQOSA-N 0 3 374.510 2.364 10 0 FEAEHN CC(C)c1nnc2n1C[C@@H](N[C@H](Cc1ccc(Cl)cc1)C(N)=O)CC2 ZINC000185912624 548058121 /nfs/dbraw/zinc/05/81/21/548058121.db2.gz YYUWTSNSISODLJ-LSDHHAIUSA-N 0 3 361.877 2.056 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NC[C@@H](C)N2CCc3sccc3C2)C1 ZINC000194153278 548441848 /nfs/dbraw/zinc/44/18/48/548441848.db2.gz UHLOZQVDYFIBNY-GDBMZVCRSA-N 0 3 350.532 2.278 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Nc2cccc(-c3nnc4n3CCC4)c2)C1 ZINC000194332082 548467857 /nfs/dbraw/zinc/46/78/57/548467857.db2.gz TUHCOHUZGGUALU-MRXNPFEDSA-N 0 3 354.458 2.497 10 0 FEAEHN COC[C@H](NC(=O)NC[C@@H](O)CN1CCCCC1)c1ccc(Cl)cc1 ZINC000194631686 548509196 /nfs/dbraw/zinc/50/91/96/548509196.db2.gz MJDGWEJCJMCJMU-SJORKVTESA-N 0 3 369.893 2.174 10 0 FEAEHN Cn1cc(CN2CCCN(Cc3ccc4c(c3)sc(=O)n4C)CC2)cn1 ZINC000195012420 548563604 /nfs/dbraw/zinc/56/36/04/548563604.db2.gz RRNURZGUBXRZKH-UHFFFAOYSA-N 0 3 371.510 2.041 10 0 FEAEHN O=C(CCCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)NC1CC1 ZINC000195303004 548618147 /nfs/dbraw/zinc/61/81/47/548618147.db2.gz PGOLTLHAFGTRFQ-IBGZPJMESA-N 0 3 372.513 2.399 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000245456722 548924910 /nfs/dbraw/zinc/92/49/10/548924910.db2.gz BOTJJGHBTDRFEK-RTBURBONSA-N 0 3 372.513 2.476 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000245652707 548966191 /nfs/dbraw/zinc/96/61/91/548966191.db2.gz FAHHSTIDWCTRFF-WBAXXEDZSA-N 0 3 366.456 2.494 10 0 FEAEHN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000246044734 549041093 /nfs/dbraw/zinc/04/10/93/549041093.db2.gz ZBTUDRMRASSOQJ-IPELMVKDSA-N 0 3 357.498 2.149 10 0 FEAEHN CCn1cnnc1[C@H]1CCCN(C[C@@H](O)COCc2ccc(OC)cc2)C1 ZINC000246090562 549049767 /nfs/dbraw/zinc/04/97/67/549049767.db2.gz GEYKRZJQVMAMSK-ZWKOTPCHSA-N 0 3 374.485 2.064 10 0 FEAEHN CCn1cnnc1[C@@H]1CCCN(C[C@@H](O)COCc2ccc(OC)cc2)C1 ZINC000246090559 549049799 /nfs/dbraw/zinc/04/97/99/549049799.db2.gz GEYKRZJQVMAMSK-QZTJIDSGSA-N 0 3 374.485 2.064 10 0 FEAEHN C[C@H](O)CN1CCN(C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C[C@H]1C ZINC000246272343 549093675 /nfs/dbraw/zinc/09/36/75/549093675.db2.gz HFYPHVJRTKJQLN-DRMAHVMPSA-N 0 3 370.921 2.165 10 0 FEAEHN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246461949 549139167 /nfs/dbraw/zinc/13/91/67/549139167.db2.gz NNGUMDPKOMMZHY-SFHLNBCPSA-N 0 3 373.541 2.465 10 0 FEAEHN COCCN1CCN(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C[C@@H]1C ZINC000246475482 549141295 /nfs/dbraw/zinc/14/12/95/549141295.db2.gz HBHXTXWRDMQCJW-WSTZPKSXSA-N 0 3 374.529 2.012 10 0 FEAEHN CN(C[C@H]1CCCN(C)C1)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000246815033 549219030 /nfs/dbraw/zinc/21/90/30/549219030.db2.gz OFLMUTRFWXNQLE-XKGZKEIXSA-N 0 3 357.498 2.396 10 0 FEAEHN C[C@H](O)CN1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)C[C@H]1C ZINC000246905922 549240298 /nfs/dbraw/zinc/24/02/98/549240298.db2.gz AAEZFYFRRSJKFF-MSOLQXFVSA-N 0 3 359.514 2.200 10 0 FEAEHN CN1C(=O)C[C@H](C(=O)N2CCN3CCC[C@H]3C2)[C@H]1c1cccc(Cl)c1 ZINC000246914877 549242611 /nfs/dbraw/zinc/24/26/11/549242611.db2.gz VZAWFYFSMXDHKT-XYJFISCASA-N 0 3 361.873 2.166 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@H](c1ccccc1)N1CCSCC1 ZINC000247058412 549273758 /nfs/dbraw/zinc/27/37/58/549273758.db2.gz HEZTWZVHDDQXEU-NEWSRXKRSA-N 0 3 359.539 2.472 10 0 FEAEHN COCCN1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C[C@@H]1C ZINC000247185454 549296561 /nfs/dbraw/zinc/29/65/61/549296561.db2.gz RZKAKYWYWNORFU-AZUAARDMSA-N 0 3 374.529 2.186 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)CCO1 ZINC000247207041 549298721 /nfs/dbraw/zinc/29/87/21/549298721.db2.gz NFXJVCPVESYAMU-VHDGCEQUSA-N 0 3 372.387 2.478 10 0 FEAEHN Cc1nc(COc2ccccc2C(=O)N2C[C@H]3CCCN3C[C@H]2C)no1 ZINC000247234749 549304018 /nfs/dbraw/zinc/30/40/18/549304018.db2.gz MVHQCFAVQNDNBJ-UKRRQHHQSA-N 0 3 356.426 2.266 10 0 FEAEHN CCCCN(C)C(=O)C1CCN(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)CC1 ZINC000247350783 549323446 /nfs/dbraw/zinc/32/34/46/549323446.db2.gz NZVWLBWKXSBPGV-AEFFLSMTSA-N 0 3 366.550 2.395 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000247667939 549370956 /nfs/dbraw/zinc/37/09/56/549370956.db2.gz YFUJMCGWLTZXDL-NVXWUHKLSA-N 0 3 356.474 2.454 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000248065696 549404713 /nfs/dbraw/zinc/40/47/13/549404713.db2.gz PSPJGZGEHWQWBP-ZIFCJYIRSA-N 0 3 361.461 2.288 10 0 FEAEHN CC(C)N(C)C(=O)[C@@H](C)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248602308 549465549 /nfs/dbraw/zinc/46/55/49/549465549.db2.gz OGHKAEKGFDLJNV-UGUYLWEFSA-N 0 3 353.507 2.477 10 0 FEAEHN COc1c(CN2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c(C)nn1C ZINC000248644036 549474861 /nfs/dbraw/zinc/47/48/61/549474861.db2.gz RWMHCIYDBYMYJI-NUEKZKHPSA-N 0 3 364.490 2.472 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000248790205 549502321 /nfs/dbraw/zinc/50/23/21/549502321.db2.gz XIVJHLFWDNQMCD-WPGHFRTFSA-N 0 3 365.271 2.448 10 0 FEAEHN CCO[C@@H]1C[C@@H](NC(=O)N[C@H](CC(C)C)CN(C)C)C12CCOCC2 ZINC000248795893 549503847 /nfs/dbraw/zinc/50/38/47/549503847.db2.gz YRFDRVODMGLLJG-BRWVUGGUSA-N 0 3 355.523 2.236 10 0 FEAEHN CC(C)CNC(=O)[C@H](C)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000248958461 549532474 /nfs/dbraw/zinc/53/24/74/549532474.db2.gz BUPLGJJWMQKFSF-DLBZAZTESA-N 0 3 369.550 2.275 10 0 FEAEHN CC(C)[C@@H](C)NC(=O)CN1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000248971640 549533238 /nfs/dbraw/zinc/53/32/38/549533238.db2.gz DGOPRZMNODPBIR-IAGOWNOFSA-N 0 3 369.550 2.275 10 0 FEAEHN C[C@H](C(=O)NC(C)(C)C)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000248971562 549533475 /nfs/dbraw/zinc/53/34/75/549533475.db2.gz DFSVCMVKHHOQRJ-HZPDHXFCSA-N 0 3 369.550 2.418 10 0 FEAEHN C[C@H](CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)N1CCCCC1=O ZINC000249036141 549541736 /nfs/dbraw/zinc/54/17/36/549541736.db2.gz XMIJPFBUUYFWKQ-ZHALLVOQSA-N 0 3 357.498 2.414 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000249264806 549574237 /nfs/dbraw/zinc/57/42/37/549574237.db2.gz ZIUYLURCQOZSEM-IRXDYDNUSA-N 0 3 369.465 2.229 10 0 FEAEHN CN1CCC[C@@H]1CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000249942522 549635221 /nfs/dbraw/zinc/63/52/21/549635221.db2.gz WXDIGIWPCJPBKE-SJORKVTESA-N 0 3 371.506 2.300 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)N2CCN3CCC[C@H]3C2)[C@@H]1Oc1ccccc1 ZINC000251659586 549650044 /nfs/dbraw/zinc/65/00/44/549650044.db2.gz KNEYTLIWNNBNOX-KANFNMMFSA-N 0 3 359.470 2.101 10 0 FEAEHN N[C@H](C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCOCC1 ZINC000261658268 549739447 /nfs/dbraw/zinc/73/94/47/549739447.db2.gz FNVOOZNNYMCZDJ-SFHVURJKSA-N 0 3 359.470 2.395 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2nn(-c3ccccc3F)c3c2CCC3)n1 ZINC000263171314 549883591 /nfs/dbraw/zinc/88/35/91/549883591.db2.gz FTRDZTJMXQRBHR-INIZCTEOSA-N 0 3 368.416 2.126 10 0 FEAEHN Cc1ccccc1C(=O)N[C@H](c1nc([C@@H]2CNCCN2C)no1)C(C)C ZINC000263301621 549893514 /nfs/dbraw/zinc/89/35/14/549893514.db2.gz XDJTUUOXIZHRMG-HOTGVXAUSA-N 0 3 357.458 2.081 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cnn(C)c1Br ZINC000273673644 550507677 /nfs/dbraw/zinc/50/76/77/550507677.db2.gz YAYQFIKTRHXDIK-LBPRGKRZSA-N 0 3 365.275 2.433 10 0 FEAEHN CC(C)n1cc([C@]2(O)CCCN(Cc3ccc4c(c3)ncn4C)C2)nn1 ZINC000285488267 551764318 /nfs/dbraw/zinc/76/43/18/551764318.db2.gz MELBQTKVJXBSDA-IBGZPJMESA-N 0 3 354.458 2.229 10 0 FEAEHN C[C@@H](CN1CCN(C)CC1)Nc1nc(-c2ccncc2)nc2c1CCC2 ZINC000301207494 553631148 /nfs/dbraw/zinc/63/11/48/553631148.db2.gz UEZDJRCLJGCDSN-HNNXBMFYSA-N 0 3 352.486 2.075 10 0 FEAEHN CCN1CCO[C@H](CNCc2cccc(I)c2)C1 ZINC000310756330 553754024 /nfs/dbraw/zinc/75/40/24/553754024.db2.gz NOTVAFGXMNROAX-CQSZACIVSA-N 0 3 360.239 2.102 10 0 FEAEHN C[C@@H]1CCc2ccccc2N1C(=O)CN1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000374071887 557817940 /nfs/dbraw/zinc/81/79/40/557817940.db2.gz KSQLLLIHPJOXEV-QOJCHSLYSA-N 0 3 358.482 2.216 10 0 FEAEHN CN(C)C[C@@H](NC(=O)C[C@H](NC(N)=O)c1cccs1)c1ccccc1 ZINC000041999743 670154969 /nfs/dbraw/zinc/15/49/69/670154969.db2.gz PKILQUORKVXMPP-LSDHHAIUSA-N 0 3 360.483 2.267 10 0 FEAEHN C[C@H](O)CN1CCC(CN(C)S(=O)(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000178699702 672394094 /nfs/dbraw/zinc/39/40/94/672394094.db2.gz ARCONYFFQPKEDI-RZXPCSSPSA-N 0 3 370.490 2.151 10 0 FEAEHN CCN(CC)C(=O)[C@H](C)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000186042748 672539451 /nfs/dbraw/zinc/53/94/51/672539451.db2.gz MYBMCEXDFZISKK-JONQDZQNSA-N 0 3 353.507 2.478 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)C(F)(F)C2(O)CCC2)C1 ZINC000190525212 672643287 /nfs/dbraw/zinc/64/32/87/672643287.db2.gz VJURYLYDKOVDDF-CYBMUJFWSA-N 0 3 373.469 2.282 10 0 FEAEHN O[C@@H](COc1cccc(Br)c1)CN1CCC2(CC1)OCCO2 ZINC000193746078 672735050 /nfs/dbraw/zinc/73/50/50/672735050.db2.gz BYMGGHCSCRFELR-CQSZACIVSA-N 0 3 372.259 2.028 10 0 FEAEHN CC(C)CNC(=O)[C@H](C)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248612553 672859279 /nfs/dbraw/zinc/85/92/79/672859279.db2.gz QSZDXNVYBZRYCF-VGWMRTNUSA-N 0 3 353.507 2.382 10 0 FEAEHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCC[C@@H]1Cc1ccccc1 ZINC000025233342 539751960 /nfs/dbraw/zinc/75/19/60/539751960.db2.gz HZTCNHOODVRMES-MSOLQXFVSA-N 0 3 364.445 2.351 10 0 FEAEHN COc1ccc([C@H](C)NC(=O)NC[C@H](O)CN2CCCCC2)cc1F ZINC000049174570 540383349 /nfs/dbraw/zinc/38/33/49/540383349.db2.gz KBIVJSNIXXEHKF-ZFWWWQNUSA-N 0 3 353.438 2.041 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)C1 ZINC000057870514 540820422 /nfs/dbraw/zinc/82/04/22/540820422.db2.gz YKCHIJOTWMPYFK-IBGZPJMESA-N 0 3 372.513 2.337 10 0 FEAEHN COCCN([C@H](C)COC)[C@@H](CN)c1cc(Br)cs1 ZINC000042606606 209261202 /nfs/dbraw/zinc/26/12/02/209261202.db2.gz SYIDNHFQMBJOJE-PWSUYJOCSA-N 0 3 351.310 2.494 10 0 FEAEHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C)n1nnc(-c2ccccc2)n1 ZINC000247386610 549326702 /nfs/dbraw/zinc/32/67/02/549326702.db2.gz QCNWJCRQKYSYJH-CGTJXYLNSA-N 0 3 370.501 2.382 10 0 FEAEHN Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCN(C)C2)c(Br)c1 ZINC000071192997 541765885 /nfs/dbraw/zinc/76/58/85/541765885.db2.gz LHLLTQKEQPZXAS-GFCCVEGCSA-N 0 3 361.305 2.330 10 0 FEAEHN CN1CCC(Cc2nc(-c3c[nH]c(=O)cn3)n(-c3cccc(F)c3)n2)CC1 ZINC000096139100 209120342 /nfs/dbraw/zinc/12/03/42/209120342.db2.gz SMPHVPJNHPYHFS-UHFFFAOYSA-N 0 3 368.416 2.453 10 0 FEAEHN COC(=O)CCn1nc(C)c(CN2CC[C@H](CNc3ccccn3)C2)c1C ZINC000092812648 542888255 /nfs/dbraw/zinc/88/82/55/542888255.db2.gz NOUWUIJLAGTWAO-QGZVFWFLSA-N 0 3 371.485 2.392 10 0 FEAEHN CCn1cnnc1[C@@H]1CCCN(CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000101587074 543035799 /nfs/dbraw/zinc/03/57/99/543035799.db2.gz YHOOTBBMEMIPRL-CQSZACIVSA-N 0 3 371.441 2.235 10 0 FEAEHN CCCC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000102005541 543054738 /nfs/dbraw/zinc/05/47/38/543054738.db2.gz SRKLKSSKHVHNPL-DLBZAZTESA-N 0 3 352.523 2.197 10 0 FEAEHN CCn1cnnc1[C@H]1CCCN(CCOc2cccc(C(=O)OC)c2)C1 ZINC000103475423 543110196 /nfs/dbraw/zinc/11/01/96/543110196.db2.gz BKOSDZVTFBPFOX-INIZCTEOSA-N 0 3 358.442 2.343 10 0 FEAEHN CN(CCN1CCOCC1)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000105201379 543164572 /nfs/dbraw/zinc/16/45/72/543164572.db2.gz QEGKLWSNKGKRSW-HXUWFJFHSA-N 0 3 374.529 2.015 10 0 FEAEHN Cc1cccc(C)c1OC[C@@H](O)CN1CCCN(c2cccnn2)CC1 ZINC000106069863 543188110 /nfs/dbraw/zinc/18/81/10/543188110.db2.gz UDRTUPIOJCKENN-SFHVURJKSA-N 0 3 356.470 2.045 10 0 FEAEHN Cc1ccc(N2CCCN(C[C@H](O)COc3c(C)cccc3C)CC2)nn1 ZINC000106072459 543189681 /nfs/dbraw/zinc/18/96/81/543189681.db2.gz MHXVGSGOZYQKFP-IBGZPJMESA-N 0 3 370.497 2.354 10 0 FEAEHN CC[C@H]1CN(CCCc2nc(-c3ccccc3)no2)CCN1C[C@@H](C)O ZINC000106103521 543197253 /nfs/dbraw/zinc/19/72/53/543197253.db2.gz CIYOFTJWPOMVLE-AEFFLSMTSA-N 0 3 358.486 2.446 10 0 FEAEHN CC(C)N(C(=O)[C@@H](C)N(C)C1CCN(CCn2cccn2)CC1)C(C)C ZINC000106129772 543205759 /nfs/dbraw/zinc/20/57/59/543205759.db2.gz NTJHKMMXXIOUJG-GOSISDBHSA-N 0 3 363.550 2.313 10 0 FEAEHN CCOCCN1CCN(CCC(=O)Nc2ccc(C(C)=O)cc2)C[C@@H]1C ZINC000106111424 543200704 /nfs/dbraw/zinc/20/07/04/543200704.db2.gz GTXNUXNKEZVUBI-INIZCTEOSA-N 0 3 361.486 2.260 10 0 FEAEHN CCOCCN1CCN(C[C@H](O)COc2c(C)cccc2C)C[C@H]1CC ZINC000106117490 543202393 /nfs/dbraw/zinc/20/23/93/543202393.db2.gz ZIRICMFGFNXNFR-UXHICEINSA-N 0 3 364.530 2.476 10 0 FEAEHN CN(C)CCOc1ccccc1CNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000106912569 543254568 /nfs/dbraw/zinc/25/45/68/543254568.db2.gz OOTRSZHUVYGECV-FQEVSTJZSA-N 0 3 369.509 2.416 10 0 FEAEHN C[C@H](NC[C@@H]1CN(C)CCO1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000111690778 543411825 /nfs/dbraw/zinc/41/18/25/543411825.db2.gz SUXBVSXNVDJKOL-TWOQFEAHSA-N 0 3 359.514 2.051 10 0 FEAEHN COc1ccc(NC(=O)[C@H](C)N[C@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000112551705 543452105 /nfs/dbraw/zinc/45/21/05/543452105.db2.gz WTMIBWFEQJLPAN-ZFWWWQNUSA-N 0 3 357.458 2.342 10 0 FEAEHN CN(C)C[C@H]1CN([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CCO1 ZINC000113253238 543479076 /nfs/dbraw/zinc/47/90/76/543479076.db2.gz WQZUWADQYRIKKJ-JKSUJKDBSA-N 0 3 371.403 2.073 10 0 FEAEHN Cn1nccc1C1CCN(CCN2CCC(c3ccnn3C)CC2)CC1 ZINC000114717147 543531671 /nfs/dbraw/zinc/53/16/71/543531671.db2.gz OQUSDXBJYNMMJK-UHFFFAOYSA-N 0 3 356.518 2.213 10 0 FEAEHN c1nc(N2CCOCC2)sc1CN1CC[C@H](CNc2ccccn2)C1 ZINC000128243007 544040946 /nfs/dbraw/zinc/04/09/46/544040946.db2.gz DWTJOVAHZLAHGF-OAHLLOKOSA-N 0 3 359.499 2.309 10 0 FEAEHN CC(C)n1ncc2cc(CN3CCO[C@H](CN(C)C)C3)c(Cl)nc21 ZINC000128245673 544041314 /nfs/dbraw/zinc/04/13/14/544041314.db2.gz JOEJQDHIEYGRGY-OAHLLOKOSA-N 0 3 351.882 2.428 10 0 FEAEHN CSc1cc(C)ccc1CNC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000129368709 544108757 /nfs/dbraw/zinc/10/87/57/544108757.db2.gz ZQWASSCAKINQLM-MRXNPFEDSA-N 0 3 351.516 2.363 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccnc1OC(C)C ZINC000129581704 544119243 /nfs/dbraw/zinc/11/92/43/544119243.db2.gz PHHARLDIGHYKCT-OAHLLOKOSA-N 0 3 362.474 2.044 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(F)ccc1OC(F)F ZINC000130698598 544161264 /nfs/dbraw/zinc/16/12/64/544161264.db2.gz PVASYXIQWXLRHD-GFCCVEGCSA-N 0 3 373.375 2.308 10 0 FEAEHN CCCOc1cc(F)ccc1NC(=O)C(=O)N(C)C[C@@H]1CCCN1CC ZINC000130700455 544161403 /nfs/dbraw/zinc/16/14/03/544161403.db2.gz XRDLELWRPOUSTN-HNNXBMFYSA-N 0 3 365.449 2.496 10 0 FEAEHN CCCOc1cc(F)ccc1NC(=O)C(=O)N(C)C[C@H]1CCCN1CC ZINC000130700650 544161429 /nfs/dbraw/zinc/16/14/29/544161429.db2.gz XRDLELWRPOUSTN-OAHLLOKOSA-N 0 3 365.449 2.496 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)N2CCC(c3nnc4ccccn43)CC2)[C@@H](C)C1 ZINC000132271771 544225098 /nfs/dbraw/zinc/22/50/98/544225098.db2.gz QPWUODRYCJCSTO-RDJZCZTQSA-N 0 3 370.501 2.347 10 0 FEAEHN CCc1c(C(=O)N2CC[C@H](N(C)C)C2)nnn1-c1ccc(OC(C)C)cc1 ZINC000132773074 544243087 /nfs/dbraw/zinc/24/30/87/544243087.db2.gz RTOYPJCKLGYJGM-INIZCTEOSA-N 0 3 371.485 2.393 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1cccnc1OCC(F)F ZINC000134629167 544316194 /nfs/dbraw/zinc/31/61/94/544316194.db2.gz MQVUETAZOXRIAP-AWEZNQCLSA-N 0 3 356.417 2.351 10 0 FEAEHN CCOc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1F ZINC000150787006 544471147 /nfs/dbraw/zinc/47/11/47/544471147.db2.gz HPTNZDYHQIWTCC-SWLSCSKDSA-N 0 3 351.422 2.008 10 0 FEAEHN CN1C(=O)C[C@@H](C(=O)NCCN2CCCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000152153828 544619554 /nfs/dbraw/zinc/61/95/54/544619554.db2.gz JTAQFIZHLPCKLP-MJGOQNOKSA-N 0 3 361.461 2.337 10 0 FEAEHN C[C@@H]1CCCN(CCNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)C1 ZINC000153686632 544809168 /nfs/dbraw/zinc/80/91/68/544809168.db2.gz XUUZCQMJRHKTDA-LSBZLQRGSA-N 0 3 361.461 2.193 10 0 FEAEHN Cc1ccccc1OC[C@H](O)CN[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000153765937 544819569 /nfs/dbraw/zinc/81/95/69/544819569.db2.gz NPHSAIHSFAOSRI-NVXWUHKLSA-N 0 3 363.479 2.489 10 0 FEAEHN c1cncc(O[C@H]2CCN(CCCN3CC[C@H](Oc4cccnc4)C3)C2)c1 ZINC000154697304 544938456 /nfs/dbraw/zinc/93/84/56/544938456.db2.gz NZHCTEAXBKLESD-SFTDATJTSA-N 0 3 368.481 2.473 10 0 FEAEHN Cc1cc(C)cc(OC[C@@H](O)CN(C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000155045110 544981438 /nfs/dbraw/zinc/98/14/38/544981438.db2.gz AXEXIFSTZNCERQ-MOPGFXCFSA-N 0 3 370.497 2.434 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000155214793 545002922 /nfs/dbraw/zinc/00/29/22/545002922.db2.gz PZQDRCHPOGDAEO-JTQLQIEISA-N 0 3 374.666 2.204 10 0 FEAEHN COC(=O)CNC(=O)[C@H](C)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180063554 327669467 /nfs/dbraw/zinc/66/94/67/327669467.db2.gz RFVNHRJSVMIQGS-BONVTDFDSA-N 0 3 358.360 2.424 10 0 FEAEHN Cc1cc(C(=O)N2CCO[C@H](CN(C)C)C2)nn1-c1cccc(Cl)c1 ZINC000180420619 327685530 /nfs/dbraw/zinc/68/55/30/327685530.db2.gz SLBBFSFDWLPBGI-MRXNPFEDSA-N 0 3 362.861 2.237 10 0 FEAEHN NC(=O)[C@H]1CCCN(C(=O)CNC2(c3cccc(Cl)c3)CCCC2)C1 ZINC000181462057 327731645 /nfs/dbraw/zinc/73/16/45/327731645.db2.gz VISGDJMMSIHXKU-AWEZNQCLSA-N 0 3 363.889 2.423 10 0 FEAEHN C[C@H](NC(C)(C)CNC(=O)N1CC(NC(=O)C2CC2)C1)c1ccccc1 ZINC000187098204 328001959 /nfs/dbraw/zinc/00/19/59/328001959.db2.gz BZMOOMCAZHPXDX-AWEZNQCLSA-N 0 3 358.486 2.036 10 0 FEAEHN CNS(=O)(=O)CCN[C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000187184905 328007635 /nfs/dbraw/zinc/00/76/35/328007635.db2.gz IMFVPTBJSAQTEO-CYBMUJFWSA-N 0 3 351.497 2.326 10 0 FEAEHN CN1c2ccc(CN[C@H]3CCCN(c4cccnn4)C3)cc2CCC1=O ZINC000187217733 328009649 /nfs/dbraw/zinc/00/96/49/328009649.db2.gz NZJMZPOPIVMQFL-KRWDZBQOSA-N 0 3 351.454 2.144 10 0 FEAEHN CC(C)Oc1ccc(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)c(Cl)c1 ZINC000187456303 328027067 /nfs/dbraw/zinc/02/70/67/328027067.db2.gz BULSGEDJSBZPNH-ZDUSSCGKSA-N 0 3 365.861 2.372 10 0 FEAEHN CNC(=O)[C@H]1CCCN1C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000187474240 328028308 /nfs/dbraw/zinc/02/83/08/328028308.db2.gz XLAKVNRUZWYVKA-QZTJIDSGSA-N 0 3 360.502 2.063 10 0 FEAEHN Cc1cc(C)c(N2CC[C@@H](NC(=O)N3CC[C@H](N(C)C)C3)C2=O)c(C)c1 ZINC000188520052 328092356 /nfs/dbraw/zinc/09/23/56/328092356.db2.gz JUEKNUJSAZOGHL-DLBZAZTESA-N 0 3 358.486 2.063 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc2nc(C)oc2c1 ZINC000190352140 328202040 /nfs/dbraw/zinc/20/20/40/328202040.db2.gz DGCSKISPWGYUDG-HUUCEWRRSA-N 0 3 356.426 2.160 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000190350564 328202184 /nfs/dbraw/zinc/20/21/84/328202184.db2.gz XDNITCSXBBOJSP-IAGOWNOFSA-N 0 3 367.453 2.100 10 0 FEAEHN CCn1cc([C@H]2CN(C(=O)NC[C@@H](c3ccccc3)N(C)C)CCO2)cn1 ZINC000190357705 328202817 /nfs/dbraw/zinc/20/28/17/328202817.db2.gz QDUFGDUGCYGPFP-RBUKOAKNSA-N 0 3 371.485 2.289 10 0 FEAEHN CCc1cc(NC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)n(C)n1 ZINC000190503035 328212296 /nfs/dbraw/zinc/21/22/96/328212296.db2.gz VRVOOUSLKLIVNN-MRXNPFEDSA-N 0 3 356.474 2.363 10 0 FEAEHN COCc1cc(NC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)ncn1 ZINC000190507500 328212680 /nfs/dbraw/zinc/21/26/80/328212680.db2.gz VZNMYUPXRGOOAZ-INIZCTEOSA-N 0 3 370.457 2.004 10 0 FEAEHN Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000190556288 328215941 /nfs/dbraw/zinc/21/59/41/328215941.db2.gz LABLIEYVZUETRS-OAHLLOKOSA-N 0 3 359.392 2.486 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc2ccn(C)c21 ZINC000190615518 328219608 /nfs/dbraw/zinc/21/96/08/328219608.db2.gz FIMHSXONWYISRI-JKSUJKDBSA-N 0 3 354.454 2.202 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc2ccn(C)c21 ZINC000190615502 328219666 /nfs/dbraw/zinc/21/96/66/328219666.db2.gz FIMHSXONWYISRI-HZPDHXFCSA-N 0 3 354.454 2.202 10 0 FEAEHN COC(=O)c1ccc(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)cc1 ZINC000190625617 328220332 /nfs/dbraw/zinc/22/03/32/328220332.db2.gz IOANITUUJYXWAG-QGZVFWFLSA-N 0 3 367.449 2.462 10 0 FEAEHN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000191637367 328275066 /nfs/dbraw/zinc/27/50/66/328275066.db2.gz DLRIQXUXCSXAMO-MAUKXSAKSA-N 0 3 359.470 2.266 10 0 FEAEHN CN1CCN(CC2CCN(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)CC1 ZINC000192144778 328302165 /nfs/dbraw/zinc/30/21/65/328302165.db2.gz BZYBMBMUIVYALT-UHFFFAOYSA-N 0 3 374.573 2.480 10 0 FEAEHN Cc1csc([C@H]2CN(C(=O)NC3CCN(C4CC4)CC3)CCO2)n1 ZINC000194018202 328406997 /nfs/dbraw/zinc/40/69/97/328406997.db2.gz JWMVPDPWSVFICJ-OAHLLOKOSA-N 0 3 350.488 2.161 10 0 FEAEHN CN(C)C[C@@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1 ZINC000007817633 324359581 /nfs/dbraw/zinc/35/95/81/324359581.db2.gz ORHMZKXTXPMAKP-GOSISDBHSA-N 0 3 360.479 2.264 10 0 FEAEHN COc1ccc(N2C[C@H](C(=O)N[C@@H](CC(C)C)CN(C)C)CC2=O)cc1 ZINC000077730307 325009494 /nfs/dbraw/zinc/00/94/94/325009494.db2.gz LCUJQIZEFMBUFD-CVEARBPZSA-N 0 3 361.486 2.141 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000079013650 325072239 /nfs/dbraw/zinc/07/22/39/325072239.db2.gz PYWHIGCKAWCWQI-GOEBONIOSA-N 0 3 369.531 2.427 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000079456098 325091775 /nfs/dbraw/zinc/09/17/75/325091775.db2.gz GTBUEYWVYOTBFM-ZIAGYGMSSA-N 0 3 352.445 2.146 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Br)cc1 ZINC000083551067 325218275 /nfs/dbraw/zinc/21/82/75/325218275.db2.gz QTIWUOFHLPCBIP-WCQYABFASA-N 0 3 359.289 2.306 10 0 FEAEHN C[C@H](NC(=O)Nc1ccccc1)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000088230706 325288237 /nfs/dbraw/zinc/28/82/37/325288237.db2.gz GZAURHXFPPGRIV-HNNXBMFYSA-N 0 3 358.442 2.380 10 0 FEAEHN CCc1nc2n(n1)CCC[C@H]2NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000088756474 325299690 /nfs/dbraw/zinc/29/96/90/325299690.db2.gz LMJRCMKCDWPDOA-QGZVFWFLSA-N 0 3 370.501 2.449 10 0 FEAEHN Cc1ccccc1[C@@H](C)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103295910 325512666 /nfs/dbraw/zinc/51/26/66/325512666.db2.gz YMAJWTCUUYGKJW-QGZVFWFLSA-N 0 3 358.486 2.006 10 0 FEAEHN O=C1CCCN1C[C@@H](O)CN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000111691323 325730327 /nfs/dbraw/zinc/73/03/27/325730327.db2.gz SMTGZNJKKLGGQN-HKUYNNGSSA-N 0 3 366.889 2.069 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)NCCCNC(=O)c1cccc(F)c1 ZINC000111826768 325737617 /nfs/dbraw/zinc/73/76/17/325737617.db2.gz ROHUZOTUGADQBN-KRWDZBQOSA-N 0 3 366.481 2.221 10 0 FEAEHN CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)NCCn2cc(C)cn2)c1 ZINC000112552251 325790924 /nfs/dbraw/zinc/79/09/24/325790924.db2.gz MQCVCIGBUSJYKP-INIZCTEOSA-N 0 3 371.485 2.290 10 0 FEAEHN NS(=O)(=O)c1cccc(NC(=O)CCN2CCC[C@H]2c2ccco2)c1 ZINC000116298274 326004860 /nfs/dbraw/zinc/00/48/60/326004860.db2.gz ZXNAOTGSAKVMPS-HNNXBMFYSA-N 0 3 363.439 2.093 10 0 FEAEHN Cc1nc(CCC(=O)N2CCO[C@H](CN(C)C)C2)oc1-c1ccccc1 ZINC000116787058 326035006 /nfs/dbraw/zinc/03/50/06/326035006.db2.gz QIBZIJLNORFMMD-QGZVFWFLSA-N 0 3 357.454 2.372 10 0 FEAEHN Cc1cccc(-c2nc(CC(=O)N3CCO[C@@H](CN(C)C)C3)cs2)c1 ZINC000116784351 326035382 /nfs/dbraw/zinc/03/53/82/326035382.db2.gz NKAUSJKXPXLUCX-KRWDZBQOSA-N 0 3 359.495 2.450 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Nc2cccc(CS(C)(=O)=O)c2C)C1 ZINC000117016661 326047206 /nfs/dbraw/zinc/04/72/06/326047206.db2.gz ZGQKSTQYIQCTAY-HNNXBMFYSA-N 0 3 353.488 2.145 10 0 FEAEHN CCc1cccc2c(CCNC(=O)N3CCO[C@H](CN(C)C)C3)c[nH]c21 ZINC000117049125 326049185 /nfs/dbraw/zinc/04/91/85/326049185.db2.gz CGMPZQPGQYTRHQ-QGZVFWFLSA-N 0 3 358.486 2.245 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2csc(Cc3ccccc3F)n2)CCO1 ZINC000117807599 326071329 /nfs/dbraw/zinc/07/13/29/326071329.db2.gz CDFRQGLSWRUZIX-CQSZACIVSA-N 0 3 363.458 2.276 10 0 FEAEHN CCC[C@H](C(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)N(C)C ZINC000119219476 326138943 /nfs/dbraw/zinc/13/89/43/326138943.db2.gz HBTXANAKASCZAQ-UKRRQHHQSA-N 0 3 362.392 2.292 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N(C)Cc2cn(C)nc2C(F)(F)F)C1 ZINC000122424010 326396117 /nfs/dbraw/zinc/39/61/17/326396117.db2.gz BWMRQZMYEZWZMV-YPMHNXCESA-N 0 3 361.412 2.309 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2CCC(F)(F)F)C1 ZINC000129364682 326539223 /nfs/dbraw/zinc/53/92/23/326539223.db2.gz QHCKCJHWBFVLSU-CYBMUJFWSA-N 0 3 357.376 2.283 10 0 FEAEHN O=C(Cc1ccc(O)cc1)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000134118042 326619961 /nfs/dbraw/zinc/61/99/61/326619961.db2.gz JNBJZXVYNCCOKV-OAQYLSRUSA-N 0 3 368.477 2.497 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCC(N2CCCCC2=O)CC1 ZINC000150843208 326669115 /nfs/dbraw/zinc/66/91/15/326669115.db2.gz DJUZPCSRKNILQO-MRXNPFEDSA-N 0 3 352.523 2.149 10 0 FEAEHN O[C@H](COCc1ccc(Cl)cc1)CN1CCC(Cn2ccnn2)CC1 ZINC000155906373 326810151 /nfs/dbraw/zinc/81/01/51/326810151.db2.gz KNYKWKQYZDIUPU-SFHVURJKSA-N 0 3 364.877 2.221 10 0 FEAEHN CCC[C@H](C(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)N(C)C ZINC000161929571 327012937 /nfs/dbraw/zinc/01/29/37/327012937.db2.gz ROPUZOVMTMHELP-JKSUJKDBSA-N 0 3 350.438 2.278 10 0 FEAEHN CCC[C@H](C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1)N(C)C ZINC000162410129 327025085 /nfs/dbraw/zinc/02/50/85/327025085.db2.gz AZAHFHCQRYRGAA-GOSISDBHSA-N 0 3 363.477 2.159 10 0 FEAEHN CC1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H](N(C)C)C3)cc2)CC1 ZINC000170844408 327102124 /nfs/dbraw/zinc/10/21/24/327102124.db2.gz SYRMKTNSNGMZSU-SFHVURJKSA-N 0 3 358.486 2.024 10 0 FEAEHN CC(C)COc1ccc(NC(=O)C(=O)N2CC[C@H](N(C)C)C2)cc1Cl ZINC000170843156 327102318 /nfs/dbraw/zinc/10/23/18/327102318.db2.gz VKTPFIKIKGFNMB-AWEZNQCLSA-N 0 3 367.877 2.476 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000170859637 327102990 /nfs/dbraw/zinc/10/29/90/327102990.db2.gz RJIFQYPUXBPGQY-NSHDSACASA-N 0 3 365.886 2.447 10 0 FEAEHN COc1ccc(-n2ccnc2SCC(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000170859806 327103183 /nfs/dbraw/zinc/10/31/83/327103183.db2.gz OHHIUUDQGUKSCM-OAHLLOKOSA-N 0 3 360.483 2.136 10 0 FEAEHN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@@H](CC(C)C)CN(C)C)C2)no1 ZINC000170896361 327106159 /nfs/dbraw/zinc/10/61/59/327106159.db2.gz YVURLVKISRIOIV-HOTGVXAUSA-N 0 3 351.495 2.318 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)C1 ZINC000171083096 327116479 /nfs/dbraw/zinc/11/64/79/327116479.db2.gz FRGOYKKCCPFJNC-INIZCTEOSA-N 0 3 362.499 2.043 10 0 FEAEHN O=C(c1csc(-c2ccc3c(c2)OCO3)n1)N1CCN2CCC[C@@H]2C1 ZINC000171089942 327117110 /nfs/dbraw/zinc/11/71/10/327117110.db2.gz DDTBLVPOGJVCLI-CYBMUJFWSA-N 0 3 357.435 2.459 10 0 FEAEHN CC(C)(CNC(=O)NC[C@@H](O)CN1CCCCC1)c1ccc(F)cc1 ZINC000171373489 327135278 /nfs/dbraw/zinc/13/52/78/327135278.db2.gz BFWLZCVNSZZOOE-QGZVFWFLSA-N 0 3 351.466 2.249 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)C1 ZINC000171508325 327142852 /nfs/dbraw/zinc/14/28/52/327142852.db2.gz NLBKOKYZCVNXOX-HUUCEWRRSA-N 0 3 367.902 2.018 10 0 FEAEHN CN1C(=O)CC[C@H](C(=O)NC2CCN(C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000171794082 327161921 /nfs/dbraw/zinc/16/19/21/327161921.db2.gz AUZQZFNXPAJFIE-ICSRJNTNSA-N 0 3 355.482 2.339 10 0 FEAEHN CC(C)c1nc(C(=O)N2CCN3CCC[C@H]3C2)nn1-c1cccc(F)c1 ZINC000172120136 327181850 /nfs/dbraw/zinc/18/18/50/327181850.db2.gz SZOBCNUUVMTNPL-INIZCTEOSA-N 0 3 357.433 2.450 10 0 FEAEHN COc1cc(C(=O)N2CCN3CCC[C@H]3C2)cc(OC)c1OC(F)F ZINC000173098497 327235022 /nfs/dbraw/zinc/23/50/22/327235022.db2.gz OKCIATNTGWRTES-LBPRGKRZSA-N 0 3 356.369 2.225 10 0 FEAEHN COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173494509 327261359 /nfs/dbraw/zinc/26/13/59/327261359.db2.gz QCWJMGHOZYHHSI-HZPDHXFCSA-N 0 3 366.531 2.451 10 0 FEAEHN CCc1nc([C@H]2CN(C(=O)[C@@H](c3ccccc3)N(CC)CC)CCO2)n[nH]1 ZINC000173553711 327266006 /nfs/dbraw/zinc/26/60/06/327266006.db2.gz XTGWDIXZYRKRMB-SJLPKXTDSA-N 0 3 371.485 2.350 10 0 FEAEHN CCc1nnc([C@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](CC)CC)CCO2)[n-]1 ZINC000173553711 327266007 /nfs/dbraw/zinc/26/60/07/327266007.db2.gz XTGWDIXZYRKRMB-SJLPKXTDSA-N 0 3 371.485 2.350 10 0 FEAEHN CCc1nnc([C@H]2CN(C(=O)[C@@H](c3ccccc3)N(CC)CC)CCO2)[nH]1 ZINC000173553711 327266009 /nfs/dbraw/zinc/26/60/09/327266009.db2.gz XTGWDIXZYRKRMB-SJLPKXTDSA-N 0 3 371.485 2.350 10 0 FEAEHN CC(C)c1nc(C(=O)N2CCN3CCC[C@H]3C2)nn1-c1ccccc1F ZINC000173575698 327267985 /nfs/dbraw/zinc/26/79/85/327267985.db2.gz VTIZUUBBDXWHDD-AWEZNQCLSA-N 0 3 357.433 2.450 10 0 FEAEHN C[C@H](SCC(=O)N1CCO[C@@H](CN(C)C)C1)c1nc2ccccc2[nH]1 ZINC000174245012 327315351 /nfs/dbraw/zinc/31/53/51/327315351.db2.gz LQUPPBNTNZTIQQ-KBPBESRZSA-N 0 3 362.499 2.146 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CNCC(C)(C)C[C@H](C)O ZINC000174465498 327328321 /nfs/dbraw/zinc/32/83/21/327328321.db2.gz RRHOGYWACYWZBA-HNNXBMFYSA-N 0 3 352.523 2.267 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000175211857 327380347 /nfs/dbraw/zinc/38/03/47/327380347.db2.gz OPGBFBOQOYQIPP-IUODEOHRSA-N 0 3 372.437 2.133 10 0 FEAEHN CCc1ccc([C@H](CNC(=O)N[C@H]2CCCn3ncnc32)N(C)C)cc1 ZINC000176351447 327450687 /nfs/dbraw/zinc/45/06/87/327450687.db2.gz RNALDZCEILBQSM-IRXDYDNUSA-N 0 3 356.474 2.278 10 0 FEAEHN C[C@H](NC(=O)CN1CCO[C@@H](CN(C)C)C1)c1cccc2ccccc21 ZINC000246384058 328613118 /nfs/dbraw/zinc/61/31/18/328613118.db2.gz OVIQDXVBSFENSC-WMZOPIPTSA-N 0 3 355.482 2.279 10 0 FEAEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000246781787 328644893 /nfs/dbraw/zinc/64/48/93/328644893.db2.gz STOFGWBICFBTHY-ARFHVFGLSA-N 0 3 351.491 2.377 10 0 FEAEHN CN(C)C[C@@H]1CN([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CCO1 ZINC000249161700 328759396 /nfs/dbraw/zinc/75/93/96/328759396.db2.gz ZZLVZYWNUVZCRE-CJNGLKHVSA-N 0 3 372.296 2.361 10 0 FEAEHN NC(=O)N[C@@H](CC(=O)Nc1ccc2c(c1F)CCNC2)c1cccs1 ZINC000261717091 328814395 /nfs/dbraw/zinc/81/43/95/328814395.db2.gz LFDFEFCQGOAKGJ-ZDUSSCGKSA-N 0 3 362.430 2.271 10 0 FEAEHN Cc1ccc(C(=O)Nc2cccc(CNC(=O)C3(N)CCOCC3)c2)cc1 ZINC000261746883 328816448 /nfs/dbraw/zinc/81/64/48/328816448.db2.gz DYHHJLVKWRXNLT-UHFFFAOYSA-N 0 3 367.449 2.371 10 0 FEAEHN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)C2(N)CCOCC2)cc1 ZINC000261876660 328826423 /nfs/dbraw/zinc/82/64/23/328826423.db2.gz OSKINBOHMRGLNU-AWEZNQCLSA-N 0 3 362.474 2.245 10 0 FEAEHN C[C@@H](c1ccccc1Cl)N1CCN(C(=O)C2(N)CCOCC2)CC1 ZINC000261925347 328829815 /nfs/dbraw/zinc/82/98/15/328829815.db2.gz VOOCYASUJDRXOL-AWEZNQCLSA-N 0 3 351.878 2.053 10 0 FEAEHN CCC[C@H](N)C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 ZINC000262217227 328852087 /nfs/dbraw/zinc/85/20/87/328852087.db2.gz ZBBUXYRTWPWINH-UHOFOFEASA-N 0 3 371.884 2.485 10 0 FEAEHN CCC[C@@H](N)C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1 ZINC000262645668 328878506 /nfs/dbraw/zinc/87/85/06/328878506.db2.gz NNHWRNPPHQHLSI-GOSISDBHSA-N 0 3 354.454 2.244 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000128963559 517426097 /nfs/dbraw/zinc/42/60/97/517426097.db2.gz ZCJPDEAKYYGUBZ-DOTOQJQBSA-N 0 3 365.543 2.374 10 0 FEAEHN CC(C)OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O ZINC000095583283 535315223 /nfs/dbraw/zinc/31/52/23/535315223.db2.gz DLAGYCHBKRBCAY-UHFFFAOYSA-N 0 3 373.428 2.450 10 0 FEAEHN CCn1cnnc1C1CCN(C[C@@H](O)COCc2ccccc2OC)CC1 ZINC000155402314 545522559 /nfs/dbraw/zinc/52/25/59/545522559.db2.gz MDAYRWUSRHCQSC-GOSISDBHSA-N 0 3 374.485 2.064 10 0 FEAEHN CCC[C@H](C(=O)N1CCC[C@@H](C2N=NC(=S)N2C2CC2)C1)N(C)C ZINC000155434946 545526085 /nfs/dbraw/zinc/52/60/85/545526085.db2.gz LIDAJCAFQYSXQR-TZMCWYRMSA-N 0 3 351.520 2.338 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000156091053 545598557 /nfs/dbraw/zinc/59/85/57/545598557.db2.gz IJFQBFVSVSMBES-LBPRGKRZSA-N 0 3 371.279 2.096 10 0 FEAEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000157261233 545719545 /nfs/dbraw/zinc/71/95/45/545719545.db2.gz CYFOZSYECDUSSE-FQEVSTJZSA-N 0 3 369.513 2.478 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccccc1OCC(F)F ZINC000158158024 545830213 /nfs/dbraw/zinc/83/02/13/545830213.db2.gz LJSADRVHVACTAE-CYBMUJFWSA-N 0 3 369.412 2.212 10 0 FEAEHN O=C([C@H]1CC(=O)Nc2ccccc21)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000158373985 545852939 /nfs/dbraw/zinc/85/29/39/545852939.db2.gz FYGVJSFZAJGFGB-AEFFLSMTSA-N 0 3 371.481 2.216 10 0 FEAEHN Cc1ccc(OCC(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1C ZINC000159234175 545934132 /nfs/dbraw/zinc/93/41/32/545934132.db2.gz AMTPICLVYKZKRG-FQEVSTJZSA-N 0 3 368.477 2.218 10 0 FEAEHN C[C@@H](Oc1cccc(F)c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000159273709 545938975 /nfs/dbraw/zinc/93/89/75/545938975.db2.gz PTAKYPZQRUEVQQ-BEFAXECRSA-N 0 3 372.440 2.128 10 0 FEAEHN CC(C)(C(=O)NC[C@H](O)CN1CCc2ccccc2C1)c1ccccc1 ZINC000159307776 545941793 /nfs/dbraw/zinc/94/17/93/545941793.db2.gz GTWGCOJHBXQLIF-FQEVSTJZSA-N 0 3 352.478 2.500 10 0 FEAEHN CN(CCn1cccn1)C[C@@H](O)COc1cccc(Br)c1 ZINC000171968512 546231172 /nfs/dbraw/zinc/23/11/72/546231172.db2.gz RKGMCAWDYWBLJD-CQSZACIVSA-N 0 3 354.248 2.017 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCN(c3ncnc4ccsc43)CC2)C1 ZINC000174233724 546293407 /nfs/dbraw/zinc/29/34/07/546293407.db2.gz SVRNAKDRGMZMBI-AWEZNQCLSA-N 0 3 374.514 2.007 10 0 FEAEHN COc1cccc([C@H](C)N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)c1 ZINC000175647131 546327641 /nfs/dbraw/zinc/32/76/41/546327641.db2.gz FLKGTIICIVBFNH-GHTZIAJQSA-N 0 3 361.530 2.483 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)C1 ZINC000175669115 546330263 /nfs/dbraw/zinc/33/02/63/546330263.db2.gz MEYXBJXUWROPOX-IEBWSBKVSA-N 0 3 372.513 2.322 10 0 FEAEHN Cc1cnc([C@H](NC(=O)NC[C@@H](O)CN2CCCCC2)C2CC2)s1 ZINC000175880805 546366817 /nfs/dbraw/zinc/36/68/17/546366817.db2.gz HWISAGGMCICAEU-HUUCEWRRSA-N 0 3 352.504 2.049 10 0 FEAEHN COc1cccc(F)c1[C@H](C)NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000176014842 546391267 /nfs/dbraw/zinc/39/12/67/546391267.db2.gz NYQGPPPISCBAFX-UONOGXRCSA-N 0 3 353.438 2.041 10 0 FEAEHN Cc1cc(CCC(=O)N2CCO[C@@H](CN(C)C)C2)ccc1Br ZINC000176093198 546405720 /nfs/dbraw/zinc/40/57/20/546405720.db2.gz RYHXAPAZWIWSIU-HNNXBMFYSA-N 0 3 369.303 2.479 10 0 FEAEHN CCn1nnnc1-c1cccc(NC(=O)N(C)C[C@H]2CCCN2CC)c1 ZINC000176361097 546436076 /nfs/dbraw/zinc/43/60/76/546436076.db2.gz AWMQANVXMQIOAL-MRXNPFEDSA-N 0 3 357.462 2.308 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000176364479 546436321 /nfs/dbraw/zinc/43/63/21/546436321.db2.gz LEJCAESDXUEIJW-KRWDZBQOSA-N 0 3 356.474 2.469 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CCC(F)(F)F)cc2)C1 ZINC000176394111 546440155 /nfs/dbraw/zinc/44/01/55/546440155.db2.gz KCCOQOZNAAPZEB-CQSZACIVSA-N 0 3 357.376 2.283 10 0 FEAEHN O=C(Cc1cccc(O)c1)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000176516763 546456029 /nfs/dbraw/zinc/45/60/29/546456029.db2.gz FYLOGYSIFMWVQL-OAQYLSRUSA-N 0 3 368.477 2.497 10 0 FEAEHN Cc1nc2n(n1)CCC[C@H]2NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000176585678 546464701 /nfs/dbraw/zinc/46/47/01/546464701.db2.gz DTBIHRGATREVHE-OAHLLOKOSA-N 0 3 362.503 2.256 10 0 FEAEHN CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176604228 546466714 /nfs/dbraw/zinc/46/67/14/546466714.db2.gz IEGXTXHFPDYIRH-MRXNPFEDSA-N 0 3 360.437 2.026 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000176885954 546501182 /nfs/dbraw/zinc/50/11/82/546501182.db2.gz DUOGXLYRNHMVPA-ZDUSSCGKSA-N 0 3 373.375 2.466 10 0 FEAEHN CCn1ccnc1CS(=O)(=O)C(C)C(=O)NC[C@H](C)c1ccccc1 ZINC000176909525 546506334 /nfs/dbraw/zinc/50/63/34/546506334.db2.gz XFXHXCUXNHIFDC-LSDHHAIUSA-N 0 3 363.483 2.126 10 0 FEAEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)c1cnsn1 ZINC000177458128 546622479 /nfs/dbraw/zinc/62/24/79/546622479.db2.gz MOJGLKCSNXEXNG-KRWDZBQOSA-N 0 3 360.483 2.056 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000177504216 546632878 /nfs/dbraw/zinc/63/28/78/546632878.db2.gz DDTWKPMKSAMISM-KRWDZBQOSA-N 0 3 364.465 2.071 10 0 FEAEHN O=C(Nc1cccc(OC2CCCC2)c1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177690996 546667895 /nfs/dbraw/zinc/66/78/95/546667895.db2.gz PYNHWXBAVVFIPV-INIZCTEOSA-N 0 3 357.454 2.253 10 0 FEAEHN CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177689098 546668041 /nfs/dbraw/zinc/66/80/41/546668041.db2.gz XXIPBVHLAJTGKT-LBPRGKRZSA-N 0 3 353.875 2.307 10 0 FEAEHN Cc1c(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)cccc1C(F)(F)F ZINC000177901706 546706123 /nfs/dbraw/zinc/70/61/23/546706123.db2.gz MNGCFMMKYXIJAN-GFCCVEGCSA-N 0 3 355.360 2.259 10 0 FEAEHN COC(=O)c1ccccc1N(C)C(=O)CN1CCC[C@@H]1Cn1ccnc1C ZINC000178298227 546772198 /nfs/dbraw/zinc/77/21/98/546772198.db2.gz UJWJNWWTGGKIII-MRXNPFEDSA-N 0 3 370.453 2.106 10 0 FEAEHN O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2ncccc2c1 ZINC000178579676 546815138 /nfs/dbraw/zinc/81/51/38/546815138.db2.gz LBCLUDZCIDMYFS-FQEVSTJZSA-N 0 3 361.445 2.384 10 0 FEAEHN C(CN1CCO[C@H]2CCCC[C@H]21)OCCN1CCO[C@H]2CCCC[C@@H]21 ZINC000178613043 546819375 /nfs/dbraw/zinc/81/93/75/546819375.db2.gz UIPWEEZTJSCMBX-YRPNKDGESA-N 0 3 352.519 2.290 10 0 FEAEHN O[C@@H](COCc1ccccc1Cl)CN1CCC[C@H](n2cncn2)C1 ZINC000178613486 546820279 /nfs/dbraw/zinc/82/02/79/546820279.db2.gz UFSNEGYEUPMFQJ-JKSUJKDBSA-N 0 3 350.850 2.146 10 0 FEAEHN C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCN2CCC[C@@H]2C1 ZINC000178630661 546823524 /nfs/dbraw/zinc/82/35/24/546823524.db2.gz ZLGUVFFLYGIWLO-RKDXNWHRSA-N 0 3 363.330 2.489 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000179299367 546928021 /nfs/dbraw/zinc/92/80/21/546928021.db2.gz SIFHZVJMJXCNGZ-RBUKOAKNSA-N 0 3 372.513 2.161 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000179299382 546928124 /nfs/dbraw/zinc/92/81/24/546928124.db2.gz SIFHZVJMJXCNGZ-OALUTQOASA-N 0 3 372.513 2.161 10 0 FEAEHN C[C@H](CN(C)Cc1ccccc1)Nc1cc(N2CCC[C@@H]2CO)ncn1 ZINC000180346893 547088838 /nfs/dbraw/zinc/08/88/38/547088838.db2.gz KOBJAHBQCIHGPP-SJLPKXTDSA-N 0 3 355.486 2.370 10 0 FEAEHN C[C@H](CC(=O)Nc1ccc(Br)cc1)NC[C@@H]1CN(C)CCO1 ZINC000180491578 547117873 /nfs/dbraw/zinc/11/78/73/547117873.db2.gz KZHQQMOAPXHXNQ-IUODEOHRSA-N 0 3 370.291 2.086 10 0 FEAEHN C[C@H](NC[C@@H]1CN(C)CCO1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180496025 547119169 /nfs/dbraw/zinc/11/91/69/547119169.db2.gz QAZQLMYSUOPWDY-DOTOQJQBSA-N 0 3 366.527 2.384 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(N3CCOC3=O)cc1)CC2 ZINC000180616678 547142626 /nfs/dbraw/zinc/14/26/26/547142626.db2.gz JQKYKSUOUMTRIY-UKRRQHHQSA-N 0 3 355.442 2.463 10 0 FEAEHN Cc1cccc(CCCN2CCN(c3cc(C)nc4ncnn43)CC2)c1 ZINC000181088792 547246671 /nfs/dbraw/zinc/24/66/71/547246671.db2.gz GGRINKJUYWHSRF-UHFFFAOYSA-N 0 3 350.470 2.496 10 0 FEAEHN O=C(NCCCc1nc(-c2ccc(F)cc2)no1)N1CCN2CCC[C@H]2C1 ZINC000182181121 547449064 /nfs/dbraw/zinc/44/90/64/547449064.db2.gz QBXKBFHYKIQZFV-INIZCTEOSA-N 0 3 373.432 2.298 10 0 FEAEHN Cc1cn2c(ncc(C(=O)N[C@@H](C)CN(C)Cc3ccccc3)c2=O)s1 ZINC000182525411 547508659 /nfs/dbraw/zinc/50/86/59/547508659.db2.gz PVKBXVCUCYYVPY-ZDUSSCGKSA-N 0 3 370.478 2.315 10 0 FEAEHN CCC(CC)[C@@H]1C[C@H](NC(=O)NC[C@H](O)CN2CCCCC2)CCO1 ZINC000183726000 547707947 /nfs/dbraw/zinc/70/79/47/547707947.db2.gz PPQISMXKSMRPAG-SQNIBIBYSA-N 0 3 355.523 2.116 10 0 FEAEHN CCC[C@H]1C[C@@H](C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)CCO1 ZINC000183788889 547719685 /nfs/dbraw/zinc/71/96/85/547719685.db2.gz ZTXPENFSFAJIJP-OALUTQOASA-N 0 3 374.529 2.387 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N[C@H](c2cnn(C)c2)c2ccc(F)cc2)C1 ZINC000184679131 547864650 /nfs/dbraw/zinc/86/46/50/547864650.db2.gz BGKPAYSGSIFMTL-ROUUACIJSA-N 0 3 359.449 2.432 10 0 FEAEHN CCO[C@@H]1C[C@@H](N[C@@H](C)CS(=O)(=O)c2ccccc2)C12CCOCC2 ZINC000186309722 548116864 /nfs/dbraw/zinc/11/68/64/548116864.db2.gz ALUCXLRCDDOJFA-CGTJXYLNSA-N 0 3 367.511 2.413 10 0 FEAEHN Cc1ccc(-c2cc(C(=O)NC[C@@H](O)CN3CCCCC3)[nH]n2)c(C)c1 ZINC000186934113 548222860 /nfs/dbraw/zinc/22/28/60/548222860.db2.gz SYZBCNXWTSNENW-MRXNPFEDSA-N 0 3 356.470 2.270 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@H]1CCC[C@H]1CCO ZINC000189941194 548314301 /nfs/dbraw/zinc/31/43/01/548314301.db2.gz COCISDWKQKRVHG-RDJZCZTQSA-N 0 3 350.507 2.021 10 0 FEAEHN CC(C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)Cc1nccn1C(F)F ZINC000193290860 548383821 /nfs/dbraw/zinc/38/38/21/548383821.db2.gz HMRRBYXITQKZHF-RYUDHWBXSA-N 0 3 371.409 2.459 10 0 FEAEHN CCCCOC[C@H](O)CN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000195248411 548602950 /nfs/dbraw/zinc/60/29/50/548602950.db2.gz WYXCWLQXCMWCLE-SOLBZPMBSA-N 0 3 354.878 2.379 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(Cc2nnnn2-c2ccccc2)C1 ZINC000195286750 548612333 /nfs/dbraw/zinc/61/23/33/548612333.db2.gz NSPJPBIADUGNKV-SFHVURJKSA-N 0 3 363.469 2.011 10 0 FEAEHN C[C@@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC(c2ccn[nH]2)CC1 ZINC000195507677 548651596 /nfs/dbraw/zinc/65/15/96/548651596.db2.gz AMKCXIJVIOGXGT-LBPRGKRZSA-N 0 3 359.405 2.465 10 0 FEAEHN COc1cccc(COC[C@@H](O)CN2CCC(c3ccnn3C)CC2)c1 ZINC000195512769 548653658 /nfs/dbraw/zinc/65/36/58/548653658.db2.gz XIQJEJHCGXWAPC-SFHVURJKSA-N 0 3 359.470 2.186 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000245467688 548928205 /nfs/dbraw/zinc/92/82/05/548928205.db2.gz KBWXUSUVJPLXFL-UYAOXDASSA-N 0 3 358.530 2.045 10 0 FEAEHN CN(C)C[C@@H]1CN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCO1 ZINC000245542513 548941635 /nfs/dbraw/zinc/94/16/35/548941635.db2.gz KCKKXYBZVQEHSB-CJNGLKHVSA-N 0 3 372.296 2.361 10 0 FEAEHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000245542074 548942157 /nfs/dbraw/zinc/94/21/57/548942157.db2.gz JRJYFBHHDHDHMI-RISCZKNCSA-N 0 3 358.408 2.472 10 0 FEAEHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1C[C@@H]1C(=O)OC ZINC000245607038 548955904 /nfs/dbraw/zinc/95/59/04/548955904.db2.gz KFVCQXLEKWFXHY-NJAFHUGGSA-N 0 3 360.454 2.014 10 0 FEAEHN Cc1nc(COc2cccc(C(=O)N3C[C@@H]4CCCN4C[C@H]3C)c2)no1 ZINC000245621679 548959147 /nfs/dbraw/zinc/95/91/47/548959147.db2.gz FJJHUVKLHGVRBJ-CJNGLKHVSA-N 0 3 356.426 2.266 10 0 FEAEHN C[C@H](CN1CCCCC1)NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000245620393 548959695 /nfs/dbraw/zinc/95/96/95/548959695.db2.gz DXXBSDPVIWWPAU-BJZITVGISA-N 0 3 361.461 2.336 10 0 FEAEHN CCN1CC[C@@H](NC(=O)NCCN(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246106420 549053221 /nfs/dbraw/zinc/05/32/21/549053221.db2.gz PEWGEHMHCYSINB-HZPDHXFCSA-N 0 3 356.873 2.475 10 0 FEAEHN C[C@@H]1CCN(C(=O)N[C@H]2CCCn3ncnc32)CCN1Cc1ccccc1 ZINC000246178892 549071031 /nfs/dbraw/zinc/07/10/31/549071031.db2.gz SVYJIVYWIUIHBL-AEFFLSMTSA-N 0 3 368.485 2.419 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2OCC(F)F)C1 ZINC000246258965 549090405 /nfs/dbraw/zinc/09/04/05/549090405.db2.gz PQYUFAMNZFDERU-TZMCWYRMSA-N 0 3 369.412 2.114 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)Nc2ccn(CCc3ccncc3)n2)C1 ZINC000246550611 549159280 /nfs/dbraw/zinc/15/92/80/549159280.db2.gz WBOASIGHJMHUAD-NVXWUHKLSA-N 0 3 356.474 2.371 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000246559636 549161048 /nfs/dbraw/zinc/16/10/48/549161048.db2.gz KUOVGWVCYUVICB-SUNKGSAMSA-N 0 3 358.408 2.378 10 0 FEAEHN COc1cccc([C@H](CNC(=O)N2CCN3CCCC[C@H]3C2)N(C)C)c1 ZINC000246568413 549164108 /nfs/dbraw/zinc/16/41/08/549164108.db2.gz ZXROHYIWHWSEAP-HKUYNNGSSA-N 0 3 360.502 2.178 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)C1 ZINC000246745817 549202941 /nfs/dbraw/zinc/20/29/41/549202941.db2.gz BEPVIQKYERDZEH-ATZDWAIDSA-N 0 3 363.477 2.044 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc(N2CCNC2=O)ccc1Cl ZINC000246754336 549204532 /nfs/dbraw/zinc/20/45/32/549204532.db2.gz OCKOIUHZXGSMIT-JSGCOSHPSA-N 0 3 362.861 2.178 10 0 FEAEHN CC[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CCN1C[C@H](C)O ZINC000246838421 549225274 /nfs/dbraw/zinc/22/52/74/549225274.db2.gz MFNCMXXOWUFFCY-BBRMVZONSA-N 0 3 360.433 2.133 10 0 FEAEHN Cc1nc(COc2ccccc2C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)no1 ZINC000247015830 549264897 /nfs/dbraw/zinc/26/48/97/549264897.db2.gz HGNLBXSDLROYSL-CZUORRHYSA-N 0 3 358.442 2.416 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2F)N2CCOCC2)C1 ZINC000247331583 549320564 /nfs/dbraw/zinc/32/05/64/549320564.db2.gz NAAIKEAUUYRQIX-ATZDWAIDSA-N 0 3 363.477 2.044 10 0 FEAEHN CCOCCN1CCN(C[C@@H](O)COc2c(C)cccc2C)C[C@H]1CC ZINC000247881542 549389514 /nfs/dbraw/zinc/38/95/14/549389514.db2.gz ZIRICMFGFNXNFR-WOJBJXKFSA-N 0 3 364.530 2.476 10 0 FEAEHN Cc1ccccc1CN1CCCN(C(=O)CN[C@@H](C)[C@H]2CCCO2)CC1 ZINC000248629618 549471492 /nfs/dbraw/zinc/47/14/92/549471492.db2.gz WAVGIFGLJCSKGV-AZUAARDMSA-N 0 3 359.514 2.186 10 0 FEAEHN Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000248633688 549473181 /nfs/dbraw/zinc/47/31/81/549473181.db2.gz JBNTWNQBCJPBFB-WBVHZDCISA-N 0 3 360.502 2.153 10 0 FEAEHN CC[C@H]1CN(Cc2ccn(-c3ccc(F)cc3F)n2)CCN1C[C@H](C)O ZINC000249013922 549539437 /nfs/dbraw/zinc/53/94/37/549539437.db2.gz JVMHHBNFQIFEHA-YOEHRIQHSA-N 0 3 364.440 2.428 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc2cnccc21 ZINC000249226386 549570613 /nfs/dbraw/zinc/57/06/13/549570613.db2.gz UZQKAXQHDGEWIE-HOTGVXAUSA-N 0 3 352.438 2.259 10 0 FEAEHN CCCOc1cccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2CC)c1 ZINC000249257034 549573152 /nfs/dbraw/zinc/57/31/52/549573152.db2.gz YPCVKORTCPJKJZ-SJORKVTESA-N 0 3 359.470 2.499 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NC[C@H](C)N2CCc3sccc3C2)C1 ZINC000249773038 549628126 /nfs/dbraw/zinc/62/81/26/549628126.db2.gz UHLOZQVDYFIBNY-HOCLYGCPSA-N 0 3 350.532 2.278 10 0 FEAEHN NC1(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)CCOCC1 ZINC000261765966 549753493 /nfs/dbraw/zinc/75/34/93/549753493.db2.gz GIGPEQMHBTZVJE-UHFFFAOYSA-N 0 3 365.433 2.336 10 0 FEAEHN CCNC(=O)N1CCc2ccc(N[C@@H]3CCC[C@@H]3[C@@H]3COCCN3)cc21 ZINC000261950110 549773122 /nfs/dbraw/zinc/77/31/22/549773122.db2.gz OFDODQTUHQYBLI-KSZLIROESA-N 0 3 358.486 2.348 10 0 FEAEHN O=C(NC1CCCCC1)c1cc(NC(=O)[C@@H]2C[C@@H](O)CN2)ccc1Cl ZINC000262550860 549827426 /nfs/dbraw/zinc/82/74/26/549827426.db2.gz SZARXVQXUNQFGC-CJNGLKHVSA-N 0 3 365.861 2.064 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2cc(C3CC3)nn2-c2ccccc2)n1 ZINC000263287605 549892439 /nfs/dbraw/zinc/89/24/39/549892439.db2.gz VGOOPLNONAICJJ-KRWDZBQOSA-N 0 3 350.426 2.376 10 0 FEAEHN Cn1cc([C@H]2[C@H](CNCc3cnc(C4CCC4)s3)CC(=O)N2C)cn1 ZINC000328630894 553799834 /nfs/dbraw/zinc/79/98/34/553799834.db2.gz QKHJGDIQYRYMSC-SUMWQHHRSA-N 0 3 359.499 2.453 10 0 FEAEHN O[C@@H]1C[C@@H](c2nnc[nH]2)C[C@@H]1CNCc1c(F)cccc1N1CCCC1 ZINC000527568037 562295066 /nfs/dbraw/zinc/29/50/66/562295066.db2.gz JNWHZCBIAQCOSO-PMUMKWKESA-N 0 3 359.449 2.188 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000171218721 672330577 /nfs/dbraw/zinc/33/05/77/672330577.db2.gz FZMXWPIJCKPPAF-HNNXBMFYSA-N 0 3 350.438 2.268 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000194169724 672750641 /nfs/dbraw/zinc/75/06/41/672750641.db2.gz CJEUTTYXYAAJFM-HNNXBMFYSA-N 0 3 354.495 2.123 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)C1 ZINC000246869810 672843233 /nfs/dbraw/zinc/84/32/33/672843233.db2.gz KYUHQIWJTMBBGF-HUUCEWRRSA-N 0 3 354.495 2.073 10 0 FEAEHN COCCN1[C@H](C)CN(C[C@@H](O)COCc2ccc(Cl)cc2)C[C@@H]1C ZINC000246923348 672844007 /nfs/dbraw/zinc/84/40/07/672844007.db2.gz YOYZZCCSUCZEFG-JTDSTZFVSA-N 0 3 370.921 2.259 10 0 FEAEHN N[C@@H]1CCCCN(Cc2nc(COc3ccc(Cl)cc3)no2)C1=O ZINC000888078220 688545117 /nfs/dbraw/zinc/54/51/17/688545117.db2.gz AJYWXPALAPTFEV-CYBMUJFWSA-N 0 3 350.806 2.142 10 0 FEAEHN CCOC(=O)CCNC(=O)N1CCC[C@H](N(C)CCc2ccccc2)C1 ZINC000012507516 539562230 /nfs/dbraw/zinc/56/22/30/539562230.db2.gz ZOVZXONIXJKKNK-SFHVURJKSA-N 0 3 361.486 2.288 10 0 FEAEHN CC(C)c1ccc(CN2CCC[C@](O)(CN3CCCOCC3)C2=O)cc1 ZINC000012091802 207336817 /nfs/dbraw/zinc/33/68/17/207336817.db2.gz JOBWHERNQSQOHX-NRFANRHFSA-N 0 3 360.498 2.386 10 0 FEAEHN CCN(C[C@H](O)COC(C)C)C[C@@H]1CC(c2ccc(OC)cc2)=NO1 ZINC000036146190 208149830 /nfs/dbraw/zinc/14/98/30/208149830.db2.gz QPSWYYRIHKXDNZ-WMZOPIPTSA-N 0 3 350.459 2.296 10 0 FEAEHN CC(C(=O)N[C@H](C)c1ccccc1)S(=O)(=O)Cc1noc(C2CC2)n1 ZINC000098151666 543024334 /nfs/dbraw/zinc/02/43/34/543024334.db2.gz IAKHGPOJOYZTPN-NEPJUHHUSA-N 0 3 363.439 2.128 10 0 FEAEHN CCCC(=O)N[C@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000101769595 543044412 /nfs/dbraw/zinc/04/44/12/543044412.db2.gz SRVIEAZNJKSDHY-ZWKOTPCHSA-N 0 3 360.502 2.380 10 0 FEAEHN Cc1nc(C)n(C[C@H]2CCCN(CC(=O)N([C@@H](C)C3CC3)C3CC3)C2)n1 ZINC000106177642 543213421 /nfs/dbraw/zinc/21/34/21/543213421.db2.gz ORXZRUNLFQACGO-YOEHRIQHSA-N 0 3 359.518 2.396 10 0 FEAEHN CN(C)C[C@H](NC(=O)NCCn1c2ccccc2oc1=O)c1ccccc1 ZINC000106522594 543233283 /nfs/dbraw/zinc/23/32/83/543233283.db2.gz HNKJQHNLHNCCJW-INIZCTEOSA-N 0 3 368.437 2.197 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)NCC1(Sc2ccccc2)CC1 ZINC000109407103 543324387 /nfs/dbraw/zinc/32/43/87/543324387.db2.gz VHUPNUHANBUTSH-INIZCTEOSA-N 0 3 363.527 2.457 10 0 FEAEHN COc1cccc(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)c1 ZINC000114415372 543514542 /nfs/dbraw/zinc/51/45/42/543514542.db2.gz AWZWVUJQPOEPHK-UHFFFAOYSA-N 0 3 354.454 2.114 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)c3cccnc3Cl)CC2)nc1 ZINC000114415660 543514703 /nfs/dbraw/zinc/51/47/03/543514703.db2.gz WYRMWYYSPLHKNM-UHFFFAOYSA-N 0 3 359.861 2.154 10 0 FEAEHN CC(C)CCO[C@H](C)C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000114413775 543514766 /nfs/dbraw/zinc/51/47/66/543514766.db2.gz NSHQARCXJXWYJS-QGZVFWFLSA-N 0 3 362.518 2.243 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)NC[C@H]3CC=CCC3)CC2)nc1 ZINC000114592251 543525195 /nfs/dbraw/zinc/52/51/95/543525195.db2.gz HITXSDBNYYXXHI-KRWDZBQOSA-N 0 3 357.502 2.331 10 0 FEAEHN CC(C)N1CC[C@@H](NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1=O ZINC000114787242 543536308 /nfs/dbraw/zinc/53/63/08/543536308.db2.gz RAULWLCMJQGTKZ-RTBURBONSA-N 0 3 372.513 2.350 10 0 FEAEHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H]2c2ccco2)CC1=O ZINC000116211925 543605405 /nfs/dbraw/zinc/60/54/05/543605405.db2.gz QYAIMAAEXDZLCX-BRWVUGGUSA-N 0 3 359.470 2.276 10 0 FEAEHN COCCN1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C[C@@H]1C ZINC000117497597 543634713 /nfs/dbraw/zinc/63/47/13/543634713.db2.gz CBGZSXMMHDCDOA-ICSRJNTNSA-N 0 3 374.529 2.013 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000123027246 543737780 /nfs/dbraw/zinc/73/77/80/543737780.db2.gz VHFWDBUOGFOUOS-IKGGRYGDSA-N 0 3 367.490 2.090 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CNC[C@H]1CCCC[C@@H]1O ZINC000124269390 543810604 /nfs/dbraw/zinc/81/06/04/543810604.db2.gz RNYGTBDTLMJPDE-WBVHZDCISA-N 0 3 350.507 2.021 10 0 FEAEHN CN(C)C[C@@H](NC(=O)N[C@H]1CCN(c2ccccn2)C1)c1ccccc1 ZINC000127148162 543975650 /nfs/dbraw/zinc/97/56/50/543975650.db2.gz HIFINQPZQPNCNX-ZWKOTPCHSA-N 0 3 353.470 2.262 10 0 FEAEHN CCNc1nnc(S(=O)(=O)C(C)C(=O)N[C@H](C)c2ccccc2)s1 ZINC000127807989 544014645 /nfs/dbraw/zinc/01/46/45/544014645.db2.gz MNYSUUWLDYKGDY-MNOVXSKESA-N 0 3 368.484 2.010 10 0 FEAEHN CCc1csc([C@@H]2CCCN(C[C@H](O)COC3CCOCC3)C2)n1 ZINC000127463006 543994405 /nfs/dbraw/zinc/99/44/05/543994405.db2.gz OOHIQODCPIBARJ-ZBFHGGJFSA-N 0 3 354.516 2.441 10 0 FEAEHN Cc1ccccc1-n1nccc1NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000128243470 544040826 /nfs/dbraw/zinc/04/08/26/544040826.db2.gz HOZGYGHTKFBMFY-INIZCTEOSA-N 0 3 371.485 2.212 10 0 FEAEHN Cc1cc(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)cnc1Cl ZINC000129410799 544110944 /nfs/dbraw/zinc/11/09/44/544110944.db2.gz FRTDUKYYJKMLIJ-CQSZACIVSA-N 0 3 352.866 2.219 10 0 FEAEHN CN(CC1CCN(C)CC1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000129677839 544122581 /nfs/dbraw/zinc/12/25/81/544122581.db2.gz LQIFLVVFTKCNOT-PKOBYXMFSA-N 0 3 361.461 2.145 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cc(F)ccc2OC(F)F)C1 ZINC000131415166 544189147 /nfs/dbraw/zinc/18/91/47/544189147.db2.gz SMZKYSBZHWUVSF-MFKMUULPSA-N 0 3 373.375 2.211 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2O)CCO1 ZINC000131573597 544195824 /nfs/dbraw/zinc/19/58/24/544195824.db2.gz NUWJKWSFXBKSEF-GOSISDBHSA-N 0 3 370.449 2.374 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc(N2CCOCC2)ccn1 ZINC000133714615 544280995 /nfs/dbraw/zinc/28/09/95/544280995.db2.gz OKUBVHHZKCWSPO-KRWDZBQOSA-N 0 3 368.481 2.169 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC000247508812 549347644 /nfs/dbraw/zinc/34/76/44/549347644.db2.gz YEYHFANPUANXSJ-PKOBYXMFSA-N 0 3 372.513 2.273 10 0 FEAEHN O[C@H](COCc1ccc(Cl)cc1)CN1CCS[C@H]2COCC[C@@H]21 ZINC000135513918 544350479 /nfs/dbraw/zinc/35/04/79/544350479.db2.gz LTOONWLYSYMTKN-ULQDDVLXSA-N 0 3 357.903 2.424 10 0 FEAEHN COc1ccc(Cl)c(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000150790373 544471805 /nfs/dbraw/zinc/47/18/05/544471805.db2.gz GWWRBGWTMCHBDT-ABAIWWIYSA-N 0 3 353.850 2.132 10 0 FEAEHN COc1cc(Cl)c(C)cc1NC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000150806210 544474875 /nfs/dbraw/zinc/47/48/75/544474875.db2.gz DTRMDNLMCPUYLK-WFASDCNBSA-N 0 3 367.877 2.440 10 0 FEAEHN C[C@H](CN1CCCCC1)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000152833118 544701540 /nfs/dbraw/zinc/70/15/40/544701540.db2.gz DXXBSDPVIWWPAU-LSBZLQRGSA-N 0 3 361.461 2.336 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cccc(-c2ncco2)c1 ZINC000152854520 544702807 /nfs/dbraw/zinc/70/28/07/544702807.db2.gz JCXSWBYNVGFKCM-INIZCTEOSA-N 0 3 358.442 2.373 10 0 FEAEHN COC(=O)c1cc(C)ccc1S(=O)(=O)NC[C@H]1CCCN1CC(C)C ZINC000154495238 544912785 /nfs/dbraw/zinc/91/27/85/544912785.db2.gz OXOKFJOIMOZNOZ-OAHLLOKOSA-N 0 3 368.499 2.180 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCCCNC(=O)c1cccs1 ZINC000155099315 544988145 /nfs/dbraw/zinc/98/81/45/544988145.db2.gz IBVZVSGEBYZGGV-CQSZACIVSA-N 0 3 354.520 2.144 10 0 FEAEHN C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@@H]1CN(C)CCO1 ZINC000180491090 327688286 /nfs/dbraw/zinc/68/82/86/327688286.db2.gz AHPKWSNRPORADP-QWHCGFSZSA-N 0 3 359.392 2.343 10 0 FEAEHN C[C@H](CC(=O)Nc1ccc(Br)cc1)NC[C@H]1CN(C)CCO1 ZINC000180491609 327688379 /nfs/dbraw/zinc/68/83/79/327688379.db2.gz KZHQQMOAPXHXNQ-DOMZBBRYSA-N 0 3 370.291 2.086 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)CC2 ZINC000180642842 327695159 /nfs/dbraw/zinc/69/51/59/327695159.db2.gz OGFUIPJOWDYIEH-UKRRQHHQSA-N 0 3 362.499 2.471 10 0 FEAEHN CN1c2ccc(CN[C@@H]3CCCN(c4cccnn4)C3)cc2CCC1=O ZINC000187217712 328009544 /nfs/dbraw/zinc/00/95/44/328009544.db2.gz NZJMZPOPIVMQFL-QGZVFWFLSA-N 0 3 351.454 2.144 10 0 FEAEHN CC(C)Oc1ccc(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)c(Cl)c1 ZINC000187456281 328027023 /nfs/dbraw/zinc/02/70/23/328027023.db2.gz BULSGEDJSBZPNH-CYBMUJFWSA-N 0 3 365.861 2.372 10 0 FEAEHN COc1cc(Br)ccc1CNC(=O)N1CC[C@H](N(C)C)C1 ZINC000187847894 328050301 /nfs/dbraw/zinc/05/03/01/328050301.db2.gz USPSQMPPGATIMK-ZDUSSCGKSA-N 0 3 356.264 2.303 10 0 FEAEHN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000188036131 328061870 /nfs/dbraw/zinc/06/18/70/328061870.db2.gz LAGCHRQVIWDVOF-IUODEOHRSA-N 0 3 360.376 2.262 10 0 FEAEHN C[C@@H]1OCCC[C@@H]1C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000188488289 328090234 /nfs/dbraw/zinc/09/02/34/328090234.db2.gz DOKSSXFEOAGJIG-YSIASYRMSA-N 0 3 359.514 2.297 10 0 FEAEHN C[C@@H]1OCCC[C@@H]1C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000188498577 328091103 /nfs/dbraw/zinc/09/11/03/328091103.db2.gz OUJBGWQBXHBDEC-VDGAXYAQSA-N 0 3 360.498 2.363 10 0 FEAEHN C[C@H]1[NH2+]CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000189314874 328140715 /nfs/dbraw/zinc/14/07/15/328140715.db2.gz JNAVNABEYBXWFS-KCJUWKMLSA-N 0 3 351.241 2.007 10 0 FEAEHN COC(=O)[C@@](C)(CNC(=O)N[C@@H](CC(C)C)CN(C)C)c1ccccc1 ZINC000189729565 328164782 /nfs/dbraw/zinc/16/47/82/328164782.db2.gz ZVCWJEBOKIGAHH-PXNSSMCTSA-N 0 3 363.502 2.393 10 0 FEAEHN C[C@@H](O)CN1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C[C@@H]1C ZINC000189893424 328174315 /nfs/dbraw/zinc/17/43/15/328174315.db2.gz DCPKDGDNDRYPKC-WDEREUQCSA-N 0 3 368.890 2.319 10 0 FEAEHN COc1cc(Br)ccc1[C@H](C)NC[C@@H](O)CN1CCCC1=O ZINC000190463379 328209196 /nfs/dbraw/zinc/20/91/96/328209196.db2.gz HRHOHZYGHJXHCM-WCQYABFASA-N 0 3 371.275 2.092 10 0 FEAEHN COc1ccc(CNC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)cn1 ZINC000190688573 328224923 /nfs/dbraw/zinc/22/49/23/328224923.db2.gz IMVIAPWOEQGYDN-SFHVURJKSA-N 0 3 369.469 2.149 10 0 FEAEHN Cc1cc(C[C@@H](C)NC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)[nH]n1 ZINC000190728525 328228072 /nfs/dbraw/zinc/22/80/72/328228072.db2.gz OTRMYYHULPDCDD-CRAIPNDOSA-N 0 3 370.501 2.208 10 0 FEAEHN COc1cc(CNC(=O)[C@@H]2CCCO[C@@H]2C)ccc1OCCN(C)C ZINC000190896636 328239013 /nfs/dbraw/zinc/23/90/13/328239013.db2.gz KMNJUYKYHIHAGL-GDBMZVCRSA-N 0 3 350.459 2.067 10 0 FEAEHN CCN1CCCC[C@@H]1C(=O)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191904392 328287974 /nfs/dbraw/zinc/28/79/74/328287974.db2.gz SSCRNWXJEDKWMQ-QGZVFWFLSA-N 0 3 367.534 2.125 10 0 FEAEHN CS(=O)(=O)N(CCN1CC[C@]2(O)CCCC[C@@H]2C1)Cc1ccccc1 ZINC000192075994 328298404 /nfs/dbraw/zinc/29/84/04/328298404.db2.gz WGEIAMLQDDIVPY-RTBURBONSA-N 0 3 366.527 2.075 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000192896666 328345693 /nfs/dbraw/zinc/34/56/93/328345693.db2.gz DCXMRVCKFWYFOD-KRWDZBQOSA-N 0 3 360.458 2.003 10 0 FEAEHN CN(C)CCN1CCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000193132817 328359083 /nfs/dbraw/zinc/35/90/83/328359083.db2.gz WIQZYPPMDAHCEJ-UHFFFAOYSA-N 0 3 368.890 2.376 10 0 FEAEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)c1c[nH]c(=S)[nH]1 ZINC000193111874 328358120 /nfs/dbraw/zinc/35/81/20/328358120.db2.gz XSAKXDXFKQWDLW-KRWDZBQOSA-N 0 3 374.510 2.216 10 0 FEAEHN C[C@@H]1[NH2+]CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000193451865 328376333 /nfs/dbraw/zinc/37/63/33/328376333.db2.gz LDPXRGVNDGSYAY-GZMMTYOYSA-N 0 3 351.241 2.007 10 0 FEAEHN C[C@@H](CC(=O)NCC1CCN(c2ccncc2)CC1)N1CCCCC1=O ZINC000193746738 328392987 /nfs/dbraw/zinc/39/29/87/328392987.db2.gz CSKOIAQXMCRJFC-INIZCTEOSA-N 0 3 358.486 2.205 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(Cl)cn1 ZINC000193738212 328392473 /nfs/dbraw/zinc/39/24/73/328392473.db2.gz IFANKGXLOKODHB-ZDUSSCGKSA-N 0 3 360.845 2.310 10 0 FEAEHN COC[C@@H](NC(=O)NC[C@H](O)CN1CCCCC1)c1ccc(Cl)cc1 ZINC000194631672 328433348 /nfs/dbraw/zinc/43/33/48/328433348.db2.gz MJDGWEJCJMCJMU-DLBZAZTESA-N 0 3 369.893 2.174 10 0 FEAEHN COc1ccc(COC[C@@H](O)CN2CCC(c3ccnn3C)CC2)cc1 ZINC000195504005 328480692 /nfs/dbraw/zinc/48/06/92/328480692.db2.gz BFWVJYHJQNBKRP-SFHVURJKSA-N 0 3 359.470 2.186 10 0 FEAEHN CCC[C@@H](N)C(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 ZINC000236816306 328495101 /nfs/dbraw/zinc/49/51/01/328495101.db2.gz SVQUKYFKOLIDTD-GFCCVEGCSA-N 0 3 368.484 2.248 10 0 FEAEHN CCC[C@@H](N)C(=O)N1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000236932024 328498585 /nfs/dbraw/zinc/49/85/85/328498585.db2.gz YGTDTUXPYQSPGQ-DOTOQJQBSA-N 0 3 371.485 2.378 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000237036479 328502278 /nfs/dbraw/zinc/50/22/78/328502278.db2.gz HMRMGWMTSAAXAL-YWPYICTPSA-N 0 3 362.392 2.277 10 0 FEAEHN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000083750099 325225228 /nfs/dbraw/zinc/22/52/28/325225228.db2.gz WKMVCZQABPCNPB-KRWDZBQOSA-N 0 3 356.474 2.195 10 0 FEAEHN O=C(Nc1cc(Br)cc(C(F)(F)F)c1)[C@@H]1C[C@@H](O)CN1 ZINC000088187993 325285398 /nfs/dbraw/zinc/28/53/98/325285398.db2.gz POJVPFRIFHKSMY-ZJUUUORDSA-N 0 3 353.138 2.129 10 0 FEAEHN CCCC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000102005537 325485326 /nfs/dbraw/zinc/48/53/26/325485326.db2.gz SRKLKSSKHVHNPL-IAGOWNOFSA-N 0 3 352.523 2.197 10 0 FEAEHN CCOc1ccc(OC[C@H](O)CN2CCC(Nc3cccnn3)CC2)cc1 ZINC000106080113 325577280 /nfs/dbraw/zinc/57/72/80/325577280.db2.gz KNGFUIJZQAYXJE-QGZVFWFLSA-N 0 3 372.469 2.192 10 0 FEAEHN C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCO[C@H](CN(C)C)C1 ZINC000107305020 325623899 /nfs/dbraw/zinc/62/38/99/325623899.db2.gz YCSAMDCMVIZXSA-BZUAXINKSA-N 0 3 351.516 2.063 10 0 FEAEHN O[C@H](COCc1ccccc1)CN1CCC(c2nnc3ccccn32)CC1 ZINC000112407588 325779797 /nfs/dbraw/zinc/77/97/97/325779797.db2.gz YEEWIKRCUJJQMM-IBGZPJMESA-N 0 3 366.465 2.486 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@@H](C)C(=O)Nc1ccc3c(c1)OCO3)CC2 ZINC000112551652 325790616 /nfs/dbraw/zinc/79/06/16/325790616.db2.gz IONYSLNPDGXYNR-GXTWGEPZSA-N 0 3 371.441 2.062 10 0 FEAEHN CCC(CC)CS(=O)(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000114496079 325900835 /nfs/dbraw/zinc/90/08/35/325900835.db2.gz OJBWIEOMZQHCKH-UHFFFAOYSA-N 0 3 368.547 2.031 10 0 FEAEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116535065 326021869 /nfs/dbraw/zinc/02/18/69/326021869.db2.gz DPRAQWHECXMTOI-MJGOQNOKSA-N 0 3 355.486 2.092 10 0 FEAEHN Cc1ccc(-c2nc(CC(=O)N3CCO[C@H](CN(C)C)C3)cs2)cc1 ZINC000116786339 326035298 /nfs/dbraw/zinc/03/52/98/326035298.db2.gz YSHDNRYEHFUFAP-QGZVFWFLSA-N 0 3 359.495 2.450 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)CCO1 ZINC000116790788 326035955 /nfs/dbraw/zinc/03/59/55/326035955.db2.gz UACFDDIEJDLORK-KRWDZBQOSA-N 0 3 366.889 2.177 10 0 FEAEHN COCCn1c(C)c(C)c2cc(C(=O)N3CCO[C@H](CN(C)C)C3)ccc21 ZINC000116790904 326036054 /nfs/dbraw/zinc/03/60/54/326036054.db2.gz BNSPBLDCIMQNIW-GOSISDBHSA-N 0 3 373.497 2.307 10 0 FEAEHN C[C@H](NC(=O)N1CCO[C@H](CN(C)C)C1)c1ccccc1Br ZINC000117025626 326047397 /nfs/dbraw/zinc/04/73/97/326047397.db2.gz ZUZUEVZNLXIAQR-QWHCGFSZSA-N 0 3 370.291 2.482 10 0 FEAEHN CC[C@@H]1CN(C(=O)NCc2cccc(CN(C)C)c2)CCN1CCOC ZINC000117479533 326062660 /nfs/dbraw/zinc/06/26/60/326062660.db2.gz KVESLMOLWFHWDJ-LJQANCHMSA-N 0 3 362.518 2.000 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)CCO1 ZINC000118807973 326104172 /nfs/dbraw/zinc/10/41/72/326104172.db2.gz BGMRFFJFSRWCCD-GOSISDBHSA-N 0 3 374.485 2.107 10 0 FEAEHN CC[C@H](O)CN1CCN(CCC(=O)Nc2ccccc2SC)CC1 ZINC000118857164 326108534 /nfs/dbraw/zinc/10/85/34/326108534.db2.gz KHVVEIOVCMRHOD-HNNXBMFYSA-N 0 3 351.516 2.126 10 0 FEAEHN C[C@@H](NCCOc1ccc(S(N)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000119688705 326188078 /nfs/dbraw/zinc/18/80/78/326188078.db2.gz VBFYAWSYKOIQMF-LLVKDONJSA-N 0 3 356.394 2.342 10 0 FEAEHN C[C@H](NC(=O)NC[C@](C)(O)CN(C)C)c1ccccc1Br ZINC000120307954 326247979 /nfs/dbraw/zinc/24/79/79/326247979.db2.gz KIHBPXMNSMWYTG-NHYWBVRUSA-N 0 3 358.280 2.122 10 0 FEAEHN O=C(NC[C@@H](O)CN1CCCCC1)N[C@@H](C1CCCC1)C(F)(F)F ZINC000127986894 326516088 /nfs/dbraw/zinc/51/60/88/326516088.db2.gz KWZSJAVBLUDUTE-KGLIPLIRSA-N 0 3 351.413 2.254 10 0 FEAEHN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000131402044 326574084 /nfs/dbraw/zinc/57/40/84/326574084.db2.gz ORPHINCFMDDALX-OAHLLOKOSA-N 0 3 363.527 2.377 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CNC(=O)c1ccccc1OC(F)F ZINC000137107263 326658092 /nfs/dbraw/zinc/65/80/92/326658092.db2.gz ZCDYNCKXDRXJTI-CYBMUJFWSA-N 0 3 371.428 2.110 10 0 FEAEHN CN(C)C[C@@H]1CN(CC(=O)Nc2ccccc2Cc2ccccc2)CCO1 ZINC000155271246 326783140 /nfs/dbraw/zinc/78/31/40/326783140.db2.gz WOJSYPCUYGGLHF-HXUWFJFHSA-N 0 3 367.493 2.478 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NCC2(c3ccc(F)cc3Cl)CC2)CCO1 ZINC000156410469 326830147 /nfs/dbraw/zinc/83/01/47/326830147.db2.gz PYSRSTHNUPKMCP-CQSZACIVSA-N 0 3 369.868 2.483 10 0 FEAEHN CN(C)CCN(Cc1ccco1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000156474918 326832503 /nfs/dbraw/zinc/83/25/03/326832503.db2.gz VAYHCDFUJOTZLB-OAHLLOKOSA-N 0 3 365.474 2.427 10 0 FEAEHN CC(C)[C@H](O)CC(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000162051450 327015446 /nfs/dbraw/zinc/01/54/46/327015446.db2.gz PWMOALKTJILIKU-UXHICEINSA-N 0 3 362.514 2.297 10 0 FEAEHN C[C@H](C(=O)N1CCO[C@@H](CN(C)C)C1)c1ccc(Br)cc1 ZINC000163044521 327041367 /nfs/dbraw/zinc/04/13/67/327041367.db2.gz RDLLSJYMWWGILU-WFASDCNBSA-N 0 3 355.276 2.342 10 0 FEAEHN CCOC(=O)C(C)(C)n1cc(NC(=O)N(C)C[C@@H]2CCCN2CC)cn1 ZINC000164474443 327070638 /nfs/dbraw/zinc/07/06/38/327070638.db2.gz FUQFRYOVMUQTNC-HNNXBMFYSA-N 0 3 365.478 2.129 10 0 FEAEHN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N3CC[C@H](N(C)C)C3)c2C1 ZINC000170843341 327102165 /nfs/dbraw/zinc/10/21/65/327102165.db2.gz OJUQGTNCFWYAIE-RDJZCZTQSA-N 0 3 372.513 2.148 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)C1 ZINC000170866740 327104045 /nfs/dbraw/zinc/10/40/45/327104045.db2.gz OHPLICYWIKOHCH-IBGZPJMESA-N 0 3 357.498 2.020 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)C1 ZINC000171164676 327121879 /nfs/dbraw/zinc/12/18/79/327121879.db2.gz BDDXVEVSEWPJDZ-RDJZCZTQSA-N 0 3 352.523 2.053 10 0 FEAEHN CC(C)n1ccnc1CS(=O)(=O)C(C)C(=O)NCC1CCCCC1 ZINC000171674487 327154315 /nfs/dbraw/zinc/15/43/15/327154315.db2.gz WAQNSWYFANGBGS-CQSZACIVSA-N 0 3 355.504 2.464 10 0 FEAEHN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171898985 327168430 /nfs/dbraw/zinc/16/84/30/327168430.db2.gz MZWGJPVAJCGJNW-GOSISDBHSA-N 0 3 353.470 2.479 10 0 FEAEHN CCN1CCN(c2ccc(C(=O)N3C[C@H]4CCCN4C[C@@H]3C)cc2F)CC1 ZINC000172054663 327178116 /nfs/dbraw/zinc/17/81/16/327178116.db2.gz UKLZJEMYSPZMAL-FUHWJXTLSA-N 0 3 374.504 2.276 10 0 FEAEHN C[C@H](NC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1)c1ccccn1 ZINC000172065443 327178782 /nfs/dbraw/zinc/17/87/82/327178782.db2.gz HNZJQHWDENQIQX-INIZCTEOSA-N 0 3 368.485 2.131 10 0 FEAEHN C[C@H](NC(C)(C)CNC(=O)N1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000173909723 327293750 /nfs/dbraw/zinc/29/37/50/327293750.db2.gz MWPBFLLZNRSPRK-HKUYNNGSSA-N 0 3 374.529 2.232 10 0 FEAEHN CNc1cc(N2CCC[C@@H]2CN[C@@H](C)C(=O)Nc2ccccc2)ncn1 ZINC000174286415 327317347 /nfs/dbraw/zinc/31/73/47/327317347.db2.gz XMEGRPHVZLHPOF-GOEBONIOSA-N 0 3 354.458 2.104 10 0 FEAEHN CNc1cc(N2CCC[C@@H]2CN[C@H](C)C(=O)N(C(C)C)C(C)C)ncn1 ZINC000174288952 327317417 /nfs/dbraw/zinc/31/74/17/327317417.db2.gz WWRCLUKERUYGIT-HZPDHXFCSA-N 0 3 362.522 2.111 10 0 FEAEHN CN1CCC[C@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000174354490 327321670 /nfs/dbraw/zinc/32/16/70/327321670.db2.gz OQBKWHYOXUJAIK-UYTSQGDYSA-N 0 3 366.506 2.310 10 0 FEAEHN CN(C)C[C@@H](NC(=O)Nc1cnn(-c2ncccn2)c1)c1ccccc1 ZINC000174893702 327358785 /nfs/dbraw/zinc/35/87/85/327358785.db2.gz DIFQHTGYDKIQJJ-MRXNPFEDSA-N 0 3 351.414 2.087 10 0 FEAEHN CC[C@@H](COC)NC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000175178580 327378395 /nfs/dbraw/zinc/37/83/95/327378395.db2.gz FOZYAOGGRMBQEL-OALUTQOASA-N 0 3 363.502 2.156 10 0 FEAEHN Cc1ccc([C@@H](CN[C@H]2CCN(C(C)C)C2=O)N2CCOCC2)s1 ZINC000175198003 327379471 /nfs/dbraw/zinc/37/94/71/327379471.db2.gz DALQMMNAKGOANQ-JKSUJKDBSA-N 0 3 351.516 2.029 10 0 FEAEHN CC[C@@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)Oc1ccccc1Cl ZINC000176001420 327427676 /nfs/dbraw/zinc/42/76/76/327427676.db2.gz AWTJTMGUGVLTRK-GJZGRUSLSA-N 0 3 369.893 2.469 10 0 FEAEHN NC1(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)CCOCC1 ZINC000261762870 328817519 /nfs/dbraw/zinc/81/75/19/328817519.db2.gz FZVBXDBBVWAXHE-UHFFFAOYSA-N 0 3 364.449 2.209 10 0 FEAEHN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C1(N)CCOCC1 ZINC000261884483 328826920 /nfs/dbraw/zinc/82/69/20/328826920.db2.gz PPSSKJFCJGPEDU-UHFFFAOYSA-N 0 3 374.268 2.288 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)[C@@H](N)COC)c1ccc(C(F)(F)F)cc1 ZINC000262171596 328848078 /nfs/dbraw/zinc/84/80/78/328848078.db2.gz AUZDGYQNZNCMBX-LSDHHAIUSA-N 0 3 361.408 2.178 10 0 FEAEHN COc1ccccc1OCc1ccc(-c2nc([C@H]3CNCCN3C)no2)o1 ZINC000263164777 328921420 /nfs/dbraw/zinc/92/14/20/328921420.db2.gz FCDJDCDUGPDBIP-CQSZACIVSA-N 0 3 370.409 2.493 10 0 FEAEHN CC[C@@H](C)n1ncc2c1nc(C)cc2-c1nc([C@@H]2CNCCN2C)no1 ZINC000263254298 328928612 /nfs/dbraw/zinc/92/86/12/328928612.db2.gz QHLPXGPGMHRJQN-DOMZBBRYSA-N 0 3 355.446 2.337 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2cccc(NC(=O)c3ccco3)c2)n1 ZINC000263263071 328929168 /nfs/dbraw/zinc/92/91/68/328929168.db2.gz RFGWJCSTUMETFN-AWEZNQCLSA-N 0 3 353.382 2.158 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(C2(c3cccc(Cl)c3)CCOCC2)n1 ZINC000263307521 328931962 /nfs/dbraw/zinc/93/19/62/328931962.db2.gz YDEFMCHOTVWZTO-OAHLLOKOSA-N 0 3 362.861 2.396 10 0 FEAEHN Cn1nc(C2CC[NH2+]CC2)nc1[N-]C(=O)c1cnc(-c2ccco2)s1 ZINC000262300259 518195598 /nfs/dbraw/zinc/19/55/98/518195598.db2.gz AGJTUKPBHRLAJP-UHFFFAOYSA-N 0 3 358.427 2.251 10 0 FEAEHN COc1cc(CN2CCN(CCC(C)C)[C@@H](CCO)C2)cc(OC)c1O ZINC000019839885 522384164 /nfs/dbraw/zinc/38/41/64/522384164.db2.gz AFKUUCOAHANQPY-KRWDZBQOSA-N 0 3 366.502 2.324 10 0 FEAEHN C[C@@H](NC(=O)N1CCO[C@H](CN(C)C)C1)c1cccc(N2CCCC2)c1 ZINC000155298185 545507827 /nfs/dbraw/zinc/50/78/27/545507827.db2.gz ISJKIIUBQDWVNU-VQIMIIECSA-N 0 3 360.502 2.320 10 0 FEAEHN CCOc1ccc(CC(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000159263214 545937343 /nfs/dbraw/zinc/93/73/43/545937343.db2.gz KAVKLSNUYCSMGQ-FQEVSTJZSA-N 0 3 368.477 2.163 10 0 FEAEHN COc1ccc([C@H](C)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000159292139 545940766 /nfs/dbraw/zinc/94/07/66/545940766.db2.gz NHIVKSDSIUEYTK-OXJNMPFZSA-N 0 3 368.477 2.334 10 0 FEAEHN CCc1nnc(-c2ccc(NC(=O)NC[C@@H](O)CN3CCCCC3)cc2)o1 ZINC000176027194 546392314 /nfs/dbraw/zinc/39/23/14/546392314.db2.gz CPMRAEAWXLNICI-MRXNPFEDSA-N 0 3 373.457 2.267 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000176257838 546425223 /nfs/dbraw/zinc/42/52/23/546425223.db2.gz ODPTUNROZVJBCU-INIZCTEOSA-N 0 3 357.454 2.087 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc(F)c(-n2nnnc2C)c1 ZINC000176342039 546433714 /nfs/dbraw/zinc/43/37/14/546433714.db2.gz UHJSOXLFGJYEKH-AWEZNQCLSA-N 0 3 361.425 2.058 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1cccc(CS(C)(=O)=O)c1C ZINC000176356713 546435540 /nfs/dbraw/zinc/43/55/40/546435540.db2.gz OHIHGYOJWUKEDH-MRXNPFEDSA-N 0 3 367.515 2.488 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(OCC3CC3)cc2)[C@@H](C)C1 ZINC000176753019 546484525 /nfs/dbraw/zinc/48/45/25/546484525.db2.gz BFEWMXHKVQMDBL-KSSFIOAISA-N 0 3 359.470 2.259 10 0 FEAEHN Nc1ccc(F)c(NC(=O)CCN2CCC(Nc3cccnn3)CC2)c1 ZINC000177052200 546533431 /nfs/dbraw/zinc/53/34/31/546533431.db2.gz IPHHPUAJKDSROO-UHFFFAOYSA-N 0 3 358.421 2.103 10 0 FEAEHN CC[C@H](O)CN1CCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000177083484 546541475 /nfs/dbraw/zinc/54/14/75/546541475.db2.gz GCHDONKCUXWLOJ-INIZCTEOSA-N 0 3 373.419 2.423 10 0 FEAEHN C[C@H]1CN(CC(=O)N(Cc2ccccc2)C(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000177231842 546575940 /nfs/dbraw/zinc/57/59/40/546575940.db2.gz JFXILVPERXMQMH-ICSRJNTNSA-N 0 3 373.541 2.466 10 0 FEAEHN O=C(Nc1ccc(OC2CCC2)c(F)c1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177694976 546668853 /nfs/dbraw/zinc/66/88/53/546668853.db2.gz YSFFHOZBGCNCAL-CQSZACIVSA-N 0 3 361.417 2.002 10 0 FEAEHN O=C(CN1CCN2CCC[C@@H]2C1)NCCc1ccc(OC(F)(F)F)cc1 ZINC000177713020 546672658 /nfs/dbraw/zinc/67/26/58/546672658.db2.gz MCAQXSNQSAXSPV-OAHLLOKOSA-N 0 3 371.403 2.024 10 0 FEAEHN O[C@@H](COc1ccc(Br)cc1)CN1CCN2CCCC[C@@H]2C1 ZINC000177780523 546685783 /nfs/dbraw/zinc/68/57/83/546685783.db2.gz IJJWJLAKPYSKHD-HZPDHXFCSA-N 0 3 369.303 2.359 10 0 FEAEHN Cc1ccc(-c2nc(SCC(=O)N3CCN4CCC[C@H]4C3)n[nH]2)cc1 ZINC000178113616 546741994 /nfs/dbraw/zinc/74/19/94/546741994.db2.gz PXJGHFHZMZRJCS-HNNXBMFYSA-N 0 3 357.483 2.179 10 0 FEAEHN CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000178310935 546772977 /nfs/dbraw/zinc/77/29/77/546772977.db2.gz KRYYFRBQKUJCQF-OALUTQOASA-N 0 3 372.469 2.054 10 0 FEAEHN C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCN2CCC[C@@H]2C1 ZINC000178630650 546823653 /nfs/dbraw/zinc/82/36/53/546823653.db2.gz ZLGUVFFLYGIWLO-DTWKUNHWSA-N 0 3 363.330 2.489 10 0 FEAEHN COC(=O)C[C@H]1CCCN1C[C@H](O)COc1cccc(Br)c1 ZINC000179144428 546905442 /nfs/dbraw/zinc/90/54/42/546905442.db2.gz GOFPAQDDSWTBNK-KGLIPLIRSA-N 0 3 372.259 2.216 10 0 FEAEHN COCCO[C@@H]1CCCN(C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000179359427 546938964 /nfs/dbraw/zinc/93/89/64/546938964.db2.gz PUSRMMPPBPXGAT-ZWKOTPCHSA-N 0 3 357.878 2.345 10 0 FEAEHN COc1ccc(NC(=O)C(=O)N[C@@H](C)CN(C)Cc2ccccc2)cc1F ZINC000180906520 547206960 /nfs/dbraw/zinc/20/69/60/547206960.db2.gz XJJWZKTYXGTESY-AWEZNQCLSA-N 0 3 373.428 2.410 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000180918083 547209027 /nfs/dbraw/zinc/20/90/27/547209027.db2.gz LPQMKUBZVLUNPM-KRWDZBQOSA-N 0 3 366.527 2.354 10 0 FEAEHN COc1ccc(C[C@H](C)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)cc1 ZINC000182354120 547477183 /nfs/dbraw/zinc/47/71/83/547477183.db2.gz NARYLPFXQBRJBN-KSSFIOAISA-N 0 3 356.470 2.453 10 0 FEAEHN CC(C)c1nnc(CS(=O)(=O)C(C)C(=O)N(C)C2CCCCC2)n1C ZINC000182388973 547484437 /nfs/dbraw/zinc/48/44/37/547484437.db2.gz KFZUSLUHCRYLIJ-CYBMUJFWSA-N 0 3 370.519 2.033 10 0 FEAEHN COc1ccc(C(=O)N2CCO[C@@H](CN(C)C)C2)cc1OC1CCCC1 ZINC000182444763 547493782 /nfs/dbraw/zinc/49/37/82/547493782.db2.gz VRHIEHGPNZMITF-KRWDZBQOSA-N 0 3 362.470 2.419 10 0 FEAEHN CN(CCCN1CCN(C)CC1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000182955853 547578769 /nfs/dbraw/zinc/57/87/69/547578769.db2.gz KJUUMVCJTMXUFG-GOSISDBHSA-N 0 3 364.921 2.402 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)Nc1cccnc1-n1cncn1 ZINC000183072653 547596096 /nfs/dbraw/zinc/59/60/96/547596096.db2.gz CEVQDSPWEQSLMU-HNNXBMFYSA-N 0 3 365.441 2.304 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000183501300 547671660 /nfs/dbraw/zinc/67/16/60/547671660.db2.gz WCBHOYCNVJZAEK-SNVBAGLBSA-N 0 3 361.776 2.042 10 0 FEAEHN CN(Cc1ccccc1)[C@@H](CNC(=O)N[C@@H]1CCCn2ncnc21)C1CC1 ZINC000184574951 547848366 /nfs/dbraw/zinc/84/83/66/547848366.db2.gz LMYJCTJQJFLQLO-MSOLQXFVSA-N 0 3 368.485 2.323 10 0 FEAEHN CSc1c(F)cc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1F ZINC000185094705 547931472 /nfs/dbraw/zinc/93/14/72/547931472.db2.gz BTVXWINWDFDUOS-HZMBPMFUSA-N 0 3 371.453 2.470 10 0 FEAEHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000185412813 547981823 /nfs/dbraw/zinc/98/18/23/547981823.db2.gz FUTVHZHAXIHIBM-ZBFHGGJFSA-N 0 3 365.522 2.154 10 0 FEAEHN CC[C@H]1Cc2ccccc2CN1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000185801526 548037814 /nfs/dbraw/zinc/03/78/14/548037814.db2.gz WSBQBPNDMDJFAX-ROUUACIJSA-N 0 3 364.445 2.480 10 0 FEAEHN O[C@H](COCc1ccc(Cl)cc1)CN1CCC(Cn2cncn2)CC1 ZINC000186236171 548104479 /nfs/dbraw/zinc/10/44/79/548104479.db2.gz RYNYCRHHNXQJQU-SFHVURJKSA-N 0 3 364.877 2.221 10 0 FEAEHN O=C(c1cc(Br)c2c(c1)OCCO2)N1CCN2CCC[C@H]2C1 ZINC000195450892 548642115 /nfs/dbraw/zinc/64/21/15/548642115.db2.gz KJZATHXFULIONT-LBPRGKRZSA-N 0 3 367.243 2.141 10 0 FEAEHN CCC[C@@H](N)C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000236920102 548787803 /nfs/dbraw/zinc/78/78/03/548787803.db2.gz WAWZHYWGQLDTES-CQSZACIVSA-N 0 3 358.269 2.405 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000245435118 548918229 /nfs/dbraw/zinc/91/82/29/548918229.db2.gz SIGLYILKUFNXIQ-RBUKOAKNSA-N 0 3 357.498 2.482 10 0 FEAEHN C[C@@H]1CCCCN1CCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000245635020 548963084 /nfs/dbraw/zinc/96/30/84/548963084.db2.gz JDGWWANDVQMZGT-DKSSEZFCSA-N 0 3 361.461 2.336 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N(C)Cc2nc([C@H](C)OCC(C)C)no2)C1 ZINC000245678974 548973007 /nfs/dbraw/zinc/97/30/07/548973007.db2.gz GGQPANMXKMRCQD-LSDHHAIUSA-N 0 3 367.494 2.429 10 0 FEAEHN CC[C@@H]1CN(Cc2cccc(OCCCOC)c2)CCN1C[C@H](C)O ZINC000245713829 548980737 /nfs/dbraw/zinc/98/07/37/548980737.db2.gz GLXRGGGYKZTRIG-PKOBYXMFSA-N 0 3 350.503 2.379 10 0 FEAEHN CCN1CCC[C@H]1CN(C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000245754261 548988753 /nfs/dbraw/zinc/98/87/53/548988753.db2.gz HGFGZGRAQRRIIO-LSDHHAIUSA-N 0 3 354.292 2.392 10 0 FEAEHN COc1ccc([C@H]2CCCN2C(=O)CN2CCN3CCC[C@H]3C2)c(OC)c1 ZINC000245939457 549024899 /nfs/dbraw/zinc/02/48/99/549024899.db2.gz UIYDRDADTIUEGV-QFBILLFUSA-N 0 3 373.497 2.147 10 0 FEAEHN CCOc1ccc(OC[C@H](O)CN2CCC[C@H](c3nncn3CC)C2)cc1 ZINC000246149087 549063798 /nfs/dbraw/zinc/06/37/98/549063798.db2.gz PFRANBFZQADUGC-DLBZAZTESA-N 0 3 374.485 2.316 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c2cccnc12 ZINC000246277483 549094477 /nfs/dbraw/zinc/09/44/77/549094477.db2.gz BFFQJPJZNFQUHD-PBHICJAKSA-N 0 3 354.454 2.327 10 0 FEAEHN O=C(NC[C@H](O)CN1CCc2ccccc2C1)[C@H]1CSc2ccccc21 ZINC000246457478 549137744 /nfs/dbraw/zinc/13/77/44/549137744.db2.gz OYBBPJNVIMYGDL-HKUYNNGSSA-N 0 3 368.502 2.411 10 0 FEAEHN C[C@H](C(=O)N1C[C@@H]2CCCN2C[C@@H]1C)N1CCN(c2ccc(F)cc2)CC1 ZINC000246804754 549217303 /nfs/dbraw/zinc/21/73/03/549217303.db2.gz ZCBPCIULDNUTTR-QKLQHJQFSA-N 0 3 374.504 2.031 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000246810823 549218390 /nfs/dbraw/zinc/21/83/90/549218390.db2.gz RXRRDVZYVPGQDK-HIFRSBDPSA-N 0 3 369.421 2.422 10 0 FEAEHN COc1ccc(-c2noc(CN3CCN4CCCC[C@H]4C3)n2)c(OC)c1 ZINC000246940371 549246389 /nfs/dbraw/zinc/24/63/89/549246389.db2.gz UCQHMRAEOPSPJU-AWEZNQCLSA-N 0 3 358.442 2.424 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000246952792 549250613 /nfs/dbraw/zinc/25/06/13/549250613.db2.gz ICTZUUJTFZZHIO-HYVNUMGLSA-N 0 3 361.490 2.060 10 0 FEAEHN CC(=O)Nc1ccc(OC[C@H](O)CN2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000247000973 549261649 /nfs/dbraw/zinc/26/16/49/549261649.db2.gz KRYYFRBQKUJCQF-RBUKOAKNSA-N 0 3 372.469 2.054 10 0 FEAEHN CN1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247009771 549264230 /nfs/dbraw/zinc/26/42/30/549264230.db2.gz ZBYAGXUNAXTDCE-OWCLPIDISA-N 0 3 351.491 2.186 10 0 FEAEHN CC[C@H]1CN(Cc2cc(Cl)c3c(c2)OCCO3)CCN1C[C@H](C)O ZINC000247597332 549364579 /nfs/dbraw/zinc/36/45/79/549364579.db2.gz KMCHNXZPYQPQRB-ZFWWWQNUSA-N 0 3 354.878 2.388 10 0 FEAEHN Cc1nc(C)n(C[C@@H]2CCCN(C[C@@H](O)COc3ccc(F)cc3)C2)n1 ZINC000247774246 549379107 /nfs/dbraw/zinc/37/91/07/549379107.db2.gz QDTRAFAEAKSQAS-SJLPKXTDSA-N 0 3 362.449 2.186 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)COc2cc(C)ccc2Cl)CCN1C[C@H](C)O ZINC000248582740 549463191 /nfs/dbraw/zinc/46/31/91/549463191.db2.gz PCXCAKLTSNLKOZ-BBWFWOEESA-N 0 3 370.921 2.165 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000248649434 549476215 /nfs/dbraw/zinc/47/62/15/549476215.db2.gz KWMCDDCRGHRFQX-QFBILLFUSA-N 0 3 356.445 2.201 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN([C@@H](C(N)=O)c2ccccc2)C1 ZINC000248661781 549479515 /nfs/dbraw/zinc/47/95/15/549479515.db2.gz XONNSVMMQXJCAZ-MAUKXSAKSA-N 0 3 358.511 2.432 10 0 FEAEHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000248687209 549484189 /nfs/dbraw/zinc/48/41/89/549484189.db2.gz HPJYRQCQNNJWKF-RBSFLKMASA-N 0 3 364.456 2.433 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cnn(C2CCCC2)c1C ZINC000248755952 549497033 /nfs/dbraw/zinc/49/70/33/549497033.db2.gz WHCBPXSIADUPRG-WBVHZDCISA-N 0 3 373.501 2.330 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cc(N3C[C@@H](C)O[C@H](C)C3)ccn2)C1 ZINC000248835901 549510282 /nfs/dbraw/zinc/51/02/82/549510282.db2.gz OBNGMSDODLUMTL-YKTARERQSA-N 0 3 360.502 2.154 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1CC(F)(F)F ZINC000249107040 549553395 /nfs/dbraw/zinc/55/33/95/549553395.db2.gz AAQOFUKSGFODRJ-JSGCOSHPSA-N 0 3 369.387 2.425 10 0 FEAEHN CCC(=O)c1cccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2CC)c1 ZINC000249116418 549554993 /nfs/dbraw/zinc/55/49/93/549554993.db2.gz BGTPDUPFVIZGIE-IRXDYDNUSA-N 0 3 357.454 2.303 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000249126708 549557250 /nfs/dbraw/zinc/55/72/50/549557250.db2.gz CLPQWJOSPVTXJW-DOMZBBRYSA-N 0 3 368.437 2.339 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1OC(F)(F)F ZINC000249172112 549563907 /nfs/dbraw/zinc/56/39/07/549563907.db2.gz LLFZXSLGNRYOAN-NEPJUHHUSA-N 0 3 371.359 2.219 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1OC(F)F ZINC000249212566 549568913 /nfs/dbraw/zinc/56/89/13/549568913.db2.gz SRDCVFWGSAZAKC-STQMWFEESA-N 0 3 367.396 2.312 10 0 FEAEHN Cc1coc(-c2cccc(NC(=O)C(=O)N3C[C@H]4CCCN4C[C@H]3C)c2)n1 ZINC000249207892 549569166 /nfs/dbraw/zinc/56/91/66/549569166.db2.gz SAQKQJWZPAFVJB-RHSMWYFYSA-N 0 3 368.437 2.284 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cnc2ccccc2c1 ZINC000249254097 549573600 /nfs/dbraw/zinc/57/36/00/549573600.db2.gz YFKFDLZAZIVDAR-IRXDYDNUSA-N 0 3 352.438 2.259 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)N[C@H]2CCC[C@H]2CCO)C1 ZINC000251479169 549646218 /nfs/dbraw/zinc/64/62/18/549646218.db2.gz DANQTAWJADLPLA-FHWLQOOXSA-N 0 3 360.502 2.096 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)N2CCN3CCC[C@@H]3C2)[C@H]1Oc1ccccc1 ZINC000251659588 549649643 /nfs/dbraw/zinc/64/96/43/549649643.db2.gz KNEYTLIWNNBNOX-QXCFHYIPSA-N 0 3 359.470 2.101 10 0 FEAEHN NC1(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)CCOCC1 ZINC000261665769 549740790 /nfs/dbraw/zinc/74/07/90/549740790.db2.gz BNMORCBKOOTSTQ-AWEZNQCLSA-N 0 3 374.416 2.090 10 0 FEAEHN NC1(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CCOCC1 ZINC000261683920 549742221 /nfs/dbraw/zinc/74/22/21/549742221.db2.gz CUPYLDPXVWXQLT-GFCCVEGCSA-N 0 3 359.253 2.481 10 0 FEAEHN O=C(CCN1CCC[C@@H]1c1nc(-c2ccc(F)cc2)c[nH]1)N1CCNCC1 ZINC000262152237 549793275 /nfs/dbraw/zinc/79/32/75/549793275.db2.gz PHCAGZPFRRILOF-GOSISDBHSA-N 0 3 371.460 2.175 10 0 FEAEHN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]2C[C@H](O)CN2)cc1Cl ZINC000262301647 549807634 /nfs/dbraw/zinc/80/76/34/549807634.db2.gz AJCGLPVHWSBKMC-FFSVYQOJSA-N 0 3 365.861 2.016 10 0 FEAEHN CC(C)c1nc(-c2nc([C@H]3CNCCN3C)no2)nn1-c1cccc(F)c1 ZINC000263272300 549890830 /nfs/dbraw/zinc/89/08/30/549890830.db2.gz SKNNXNJITQACIO-CQSZACIVSA-N 0 3 371.420 2.156 10 0 FEAEHN CN1CCNC[C@H]1c1noc(COc2ccccc2OCC(F)(F)F)n1 ZINC000263275967 549891347 /nfs/dbraw/zinc/89/13/47/549891347.db2.gz SVMHYWDTKRNYRU-NSHDSACASA-N 0 3 372.347 2.166 10 0 FEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@@H]2C[C@@H](C)CN(Cc3ccccc3)C2)C1 ZINC000263468657 549903321 /nfs/dbraw/zinc/90/33/21/549903321.db2.gz DCKOIGYKTAVWDG-IHJVYAAUSA-N 0 3 359.514 2.424 10 0 FEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@@H]2C[C@@H](C)CN(Cc3ccccc3)C2)C1 ZINC000263468657 549903323 /nfs/dbraw/zinc/90/33/23/549903323.db2.gz DCKOIGYKTAVWDG-IHJVYAAUSA-N 0 3 359.514 2.424 10 0 FEAEHN C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)[C@H]1C ZINC000375469057 558032961 /nfs/dbraw/zinc/03/29/61/558032961.db2.gz LGEWHBDHWNTHNV-DGYXETDDSA-N 0 3 352.519 2.179 10 0 FEAEHN Cn1cncc1[C@H]1[C@H](CNC(=O)c2n[nH]c3ccccc32)CCCN1C ZINC000583619600 570808972 /nfs/dbraw/zinc/80/89/72/570808972.db2.gz DFPSGUKZBWNHCE-SCLBCKFNSA-N 0 3 352.442 2.109 10 0 FEAEHN O=C(Nc1nnc(C2CCCCC2)s1)N1C[C@H](O)[C@@H](N2CCCC2)C1 ZINC000072306031 670495793 /nfs/dbraw/zinc/49/57/93/670495793.db2.gz OAESIMMNXNGIEP-KBPBESRZSA-N 0 3 365.503 2.259 10 0 FEAEHN CC[C@H]1CN(Cn2nc(OC(C)C)sc2=S)CCN1CCOC ZINC000117324969 670914780 /nfs/dbraw/zinc/91/47/80/670914780.db2.gz JQRMEICJFJVEKC-ZDUSSCGKSA-N 0 3 360.549 2.461 10 0 FEAEHN CC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000123355938 671978597 /nfs/dbraw/zinc/97/85/97/671978597.db2.gz FIPBUUOVCZFBLP-QZTJIDSGSA-N 0 3 361.511 2.079 10 0 FEAEHN C[C@@H](NCCNS(=O)(=O)c1cnn(C)c1)c1ccc(C(C)(C)C)cc1 ZINC000182609285 672448668 /nfs/dbraw/zinc/44/86/68/672448668.db2.gz FBMWZSZKIKFWEM-CQSZACIVSA-N 0 3 364.515 2.347 10 0 FEAEHN O=S(=O)([N-]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(F)ccc1Br ZINC000237714036 672811618 /nfs/dbraw/zinc/81/16/18/672811618.db2.gz IZESMBKULWJTNF-ZACCUICWSA-N 0 3 363.252 2.150 10 0 FEAEHN COc1ccc(-c2csc(NC(=O)C3(N)CCOCC3)n2)cc1OC ZINC000261908052 672905044 /nfs/dbraw/zinc/90/50/44/672905044.db2.gz SMJPSUDKXDODBG-UHFFFAOYSA-N 0 3 363.439 2.274 10 0 FEAEHN Cc1ccc(C(=O)NCC(=O)N[C@H](CN(C)C)c2ccccc2)cc1C ZINC000007817175 539467813 /nfs/dbraw/zinc/46/78/13/539467813.db2.gz LUSVJQFBNMWMQE-LJQANCHMSA-N 0 3 353.466 2.452 10 0 FEAEHN O=c1cc([C@@H]2CCOC2)nc(-c2ccc(C[N@@H+]3CCCOCC3)cc2)[n-]1 ZINC000019111911 539651387 /nfs/dbraw/zinc/65/13/87/539651387.db2.gz YTAOVRPDCJOENT-QGZVFWFLSA-N 0 3 355.438 2.163 10 0 FEAEHN O=c1cc([C@@H]2CCOC2)nc(-c2ccc(C[N@H+]3CCCOCC3)cc2)[n-]1 ZINC000019111911 539651389 /nfs/dbraw/zinc/65/13/89/539651389.db2.gz YTAOVRPDCJOENT-QGZVFWFLSA-N 0 3 355.438 2.163 10 0 FEAEHN O=C(Cc1ccc(Cl)cc1)NCCNC[C@H](O)COc1ccccc1 ZINC000028756237 539836668 /nfs/dbraw/zinc/83/66/68/539836668.db2.gz SPAMTDUYCILZHK-KRWDZBQOSA-N 0 3 362.857 2.028 10 0 FEAEHN CN(C)C[C@H](NC(=O)NCCNC(=O)c1cccs1)c1ccccc1 ZINC000045185385 540206035 /nfs/dbraw/zinc/20/60/35/540206035.db2.gz KMCHPKPUKMYQNS-HNNXBMFYSA-N 0 3 360.483 2.080 10 0 FEAEHN CN(C)C[C@@H](NC(=O)NCCNC(=O)c1ccccc1)c1ccccc1 ZINC000048216688 540351808 /nfs/dbraw/zinc/35/18/08/540351808.db2.gz LFSBSYGBTRYCTI-GOSISDBHSA-N 0 3 354.454 2.019 10 0 FEAEHN CN(C)C[C@@H](NC(=O)Nc1cccnc1N1CCOCC1)c1ccccc1 ZINC000054480736 540591893 /nfs/dbraw/zinc/59/18/93/540591893.db2.gz LOTYBCWHXPPXGI-GOSISDBHSA-N 0 3 369.469 2.343 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NCc2ccc(Cn3ccccc3=O)cc2)C1 ZINC000056823494 540748851 /nfs/dbraw/zinc/74/88/51/540748851.db2.gz DDLYJPUSSZFYPW-IBGZPJMESA-N 0 3 368.481 2.180 10 0 FEAEHN CC(C)COc1cccc(CNC(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000056957545 540758121 /nfs/dbraw/zinc/75/81/21/540758121.db2.gz UOZDGHRRMGXCEH-GOSISDBHSA-N 0 3 363.502 2.367 10 0 FEAEHN CCNc1nnc(S(=O)(=O)C(C)C(=O)N[C@@H](C)c2ccccc2)s1 ZINC000061062113 541126389 /nfs/dbraw/zinc/12/63/89/541126389.db2.gz MNYSUUWLDYKGDY-QWRGUYRKSA-N 0 3 368.484 2.010 10 0 FEAEHN CCN1CCN(CCNC(=O)Cc2cccn2-c2ccc(C)cc2)CC1 ZINC000065170910 541228482 /nfs/dbraw/zinc/22/84/82/541228482.db2.gz GJKODPIFTMCJBV-UHFFFAOYSA-N 0 3 354.498 2.082 10 0 FEAEHN COc1ccc(CC[C@@H](C)NC(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000065485538 541240755 /nfs/dbraw/zinc/24/07/55/541240755.db2.gz YAVJSYFOUXUEOK-AEFFLSMTSA-N 0 3 363.502 2.162 10 0 FEAEHN c1cn(CCc2nc(-c3ccccc3)n[nH]2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072477820 541820536 /nfs/dbraw/zinc/82/05/36/541820536.db2.gz LOPGVGJRVVIPHH-UHFFFAOYSA-N 0 3 374.452 2.268 10 0 FEAEHN C[C@H](CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)N1CCOCC1 ZINC000074850637 542129340 /nfs/dbraw/zinc/12/93/40/542129340.db2.gz MXLYQECHYMEOFC-QUCCMNQESA-N 0 3 374.529 2.013 10 0 FEAEHN Cc1cc(=O)n2c(n1)NC(NCCN1CCCCC1)=N[C@H]2[C@@H]1CC=CCC1 ZINC000009289481 207263797 /nfs/dbraw/zinc/26/37/97/207263797.db2.gz DFZROZILPGRGAB-SJLPKXTDSA-N 0 3 370.501 2.264 10 0 FEAEHN O=C(CCN1CCO[C@@H]2CCCC[C@@H]21)Nc1ccc(N2CCOCC2)cc1 ZINC000103470036 543109877 /nfs/dbraw/zinc/10/98/77/543109877.db2.gz SYOMHMYARWTTGS-VQTJNVASSA-N 0 3 373.497 2.495 10 0 FEAEHN CCn1cnnc1[C@@H]1CCCN(CCC(=O)N2CCc3ccccc32)C1 ZINC000103476616 543110557 /nfs/dbraw/zinc/11/05/57/543110557.db2.gz FEHSTSCRYDUMCS-QGZVFWFLSA-N 0 3 353.470 2.457 10 0 FEAEHN CN(CC(=O)NCCC1=CCCCC1)C1CCN(CCn2cccn2)CC1 ZINC000106130319 543205679 /nfs/dbraw/zinc/20/56/79/543205679.db2.gz YJSMXVTWTCQTQP-UHFFFAOYSA-N 0 3 373.545 2.286 10 0 FEAEHN COc1ccc(COC[C@@H](O)CN2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000106219979 543219361 /nfs/dbraw/zinc/21/93/61/543219361.db2.gz IMUQCQPVFARRPU-MOPGFXCFSA-N 0 3 359.470 2.415 10 0 FEAEHN O[C@@H](COCc1ccc(Cl)cc1)CN1CCC[C@H](n2cncn2)C1 ZINC000106217910 543219491 /nfs/dbraw/zinc/21/94/91/543219491.db2.gz CWFDNNHZYMZGPI-DLBZAZTESA-N 0 3 350.850 2.146 10 0 FEAEHN CC(C)N(C)CC(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000106391692 543227980 /nfs/dbraw/zinc/22/79/80/543227980.db2.gz WRAYWNIOHOHMPM-UHFFFAOYSA-N 0 3 356.470 2.326 10 0 FEAEHN COc1cc(CN[C@H]2CCc3ncnn3C2)ccc1OCc1ccncc1 ZINC000109072407 543313465 /nfs/dbraw/zinc/31/34/65/543313465.db2.gz OUOZSTDEHXNDML-KRWDZBQOSA-N 0 3 365.437 2.365 10 0 FEAEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000111835456 543418493 /nfs/dbraw/zinc/41/84/93/543418493.db2.gz GYKNCWGWXIXFEJ-DLBZAZTESA-N 0 3 374.510 2.399 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000113233397 543478449 /nfs/dbraw/zinc/47/84/49/543478449.db2.gz XRMPDLMEEFKRMX-RBSFLKMASA-N 0 3 361.873 2.388 10 0 FEAEHN Cc1cnn(CCN[C@@H](C)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1 ZINC000113443258 543487793 /nfs/dbraw/zinc/48/77/93/543487793.db2.gz PEXHANGIKRPZFL-NSHDSACASA-N 0 3 352.341 2.130 10 0 FEAEHN COc1ccc(CC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)cc1 ZINC000114414182 543514731 /nfs/dbraw/zinc/51/47/31/543514731.db2.gz UPHWCGVLAYNRFI-UHFFFAOYSA-N 0 3 368.481 2.043 10 0 FEAEHN CN(C)C[C@H](NC(=O)CSCC(=O)OC(C)(C)C)c1ccccc1 ZINC000124312650 543813446 /nfs/dbraw/zinc/81/34/46/543813446.db2.gz RSCROUDBEMSYCK-HNNXBMFYSA-N 0 3 352.500 2.480 10 0 FEAEHN CCn1cnnc1[C@@H]1CCCN(C[C@H](O)COCc2cccs2)C1 ZINC000126171056 543921826 /nfs/dbraw/zinc/92/18/26/543921826.db2.gz NJLUEHPJPNSHLA-CABCVRRESA-N 0 3 350.488 2.117 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NCC2(c3ccccc3Cl)CC2)CCO1 ZINC000130778733 544164253 /nfs/dbraw/zinc/16/42/53/544164253.db2.gz MCJLRTSDLCOBMG-CQSZACIVSA-N 0 3 351.878 2.344 10 0 FEAEHN CCOc1ccc(NC(=O)CCN2CCCN(c3cccnn3)CC2)cc1 ZINC000137117750 544384761 /nfs/dbraw/zinc/38/47/61/544384761.db2.gz LJQRKYJCVIEIBN-UHFFFAOYSA-N 0 3 369.469 2.416 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000151057880 544499962 /nfs/dbraw/zinc/49/99/62/544499962.db2.gz ADAUDBYCADGJMO-JKSUJKDBSA-N 0 3 361.534 2.095 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cc(F)c(F)cc2Cl)C1 ZINC000150772023 544469592 /nfs/dbraw/zinc/46/95/92/544469592.db2.gz JJCSYXLCIIPMJS-OTYXRUKQSA-N 0 3 359.804 2.402 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1OC(F)F ZINC000150802841 544473648 /nfs/dbraw/zinc/47/36/48/544473648.db2.gz LQMAOFZQHAOLRU-JSGCOSHPSA-N 0 3 369.412 2.380 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000150805621 544474308 /nfs/dbraw/zinc/47/43/08/544474308.db2.gz HPTGDSRVRJSPET-FZMZJTMJSA-N 0 3 357.376 2.489 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(-c3ncco3)cc2)C1 ZINC000153928696 544840607 /nfs/dbraw/zinc/84/06/07/544840607.db2.gz YBCIAAPZMXBVAL-CJNGLKHVSA-N 0 3 356.426 2.125 10 0 FEAEHN CCOCCN1CCN(C[C@H](O)COc2cc(C)cc(C)c2)C[C@H]1CC ZINC000155099977 544988189 /nfs/dbraw/zinc/98/81/89/544988189.db2.gz AEWVYXRFVUVRIV-UXHICEINSA-N 0 3 364.530 2.476 10 0 FEAEHN CCO[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCN2CCOC)C12CCCC2 ZINC000154928146 544966586 /nfs/dbraw/zinc/96/65/86/544966586.db2.gz CHJZZYXAOJGKKX-RCCFBDPRSA-N 0 3 367.534 2.476 10 0 FEAEHN CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N1CCO[C@H](CN(C)C)C1 ZINC000155277148 545007229 /nfs/dbraw/zinc/00/72/29/545007229.db2.gz CJRLOHSDZAFEHA-DZGCQCFKSA-N 0 3 373.453 2.225 10 0 FEAEHN CC[C@H](CSC)NC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000179951209 327665774 /nfs/dbraw/zinc/66/57/74/327665774.db2.gz LLZMUPJJKBKJIR-OAHLLOKOSA-N 0 3 353.536 2.131 10 0 FEAEHN O=C(Cc1ccncc1)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000182066206 327759462 /nfs/dbraw/zinc/75/94/62/327759462.db2.gz JPWLLKATZWAMDP-HXUWFJFHSA-N 0 3 353.466 2.186 10 0 FEAEHN CCc1c(C(=O)N2CCN3CCC[C@@H]3C2)cnn1-c1ccccc1OC ZINC000187629091 328036739 /nfs/dbraw/zinc/03/67/39/328036739.db2.gz PBVOGDBZLJHHSD-OAHLLOKOSA-N 0 3 354.454 2.364 10 0 FEAEHN COc1nc(C)c(Br)cc1C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000188161287 328070234 /nfs/dbraw/zinc/07/02/34/328070234.db2.gz OTPFAYMLJGLZAW-JQWIXIFHSA-N 0 3 368.275 2.470 10 0 FEAEHN C[C@@H]1OCCC[C@H]1C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000188488240 328090265 /nfs/dbraw/zinc/09/02/65/328090265.db2.gz DOKSSXFEOAGJIG-DFQSSKMNSA-N 0 3 359.514 2.297 10 0 FEAEHN CCOCCN1CCN(CCC(=O)N2CCc3ccccc3C2)C[C@@H]1C ZINC000189009823 328123308 /nfs/dbraw/zinc/12/33/08/328123308.db2.gz GDNGUAMAIRBQDJ-SFHVURJKSA-N 0 3 359.514 2.004 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc2c(c1)CCN2C(=O)COC ZINC000189521195 328152871 /nfs/dbraw/zinc/15/28/71/328152871.db2.gz AWQLQOFASDXZDB-QGZVFWFLSA-N 0 3 374.485 2.170 10 0 FEAEHN C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(-n2ccnc2)c1 ZINC000189895229 328174605 /nfs/dbraw/zinc/17/46/05/328174605.db2.gz DTOUQIWCLUCPEY-KBXCAEBGSA-N 0 3 350.426 2.062 10 0 FEAEHN CC(C)OCc1ccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1 ZINC000190084411 328187015 /nfs/dbraw/zinc/18/70/15/328187015.db2.gz ZGGKNDRTECBFJF-MAUKXSAKSA-N 0 3 359.470 2.245 10 0 FEAEHN C[C@H](C(=O)NC(C)(C)C)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190508043 328212634 /nfs/dbraw/zinc/21/26/34/328212634.db2.gz DFSVCMVKHHOQRJ-CVEARBPZSA-N 0 3 369.550 2.418 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)C2(O)CCCCC2)C1 ZINC000190548906 328215315 /nfs/dbraw/zinc/21/53/15/328215315.db2.gz YGRDZEAORMCILD-HNNXBMFYSA-N 0 3 351.516 2.427 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000190598976 328218923 /nfs/dbraw/zinc/21/89/23/328218923.db2.gz RMDKIHIWOPQVFX-INIZCTEOSA-N 0 3 353.422 2.404 10 0 FEAEHN Cc1nn(C)c(C)c1CCC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190662529 328223328 /nfs/dbraw/zinc/22/33/28/328223328.db2.gz JZIJSBCWKMIKEB-LJQANCHMSA-N 0 3 369.513 2.345 10 0 FEAEHN COc1cccc(CNC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)n1 ZINC000190703698 328226024 /nfs/dbraw/zinc/22/60/24/328226024.db2.gz LCFJOUSOGKPAAJ-QGZVFWFLSA-N 0 3 369.469 2.149 10 0 FEAEHN Cc1cnccc1CNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190735956 328228824 /nfs/dbraw/zinc/22/88/24/328228824.db2.gz MEDRJVFZPFSBFD-GOSISDBHSA-N 0 3 353.470 2.449 10 0 FEAEHN Cc1nn(C)cc1CN1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190852548 328236125 /nfs/dbraw/zinc/23/61/25/328236125.db2.gz NMUIROBXLCXLGI-KRWDZBQOSA-N 0 3 350.507 2.357 10 0 FEAEHN CC(=O)CC(C)(C)CC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000191851546 328285072 /nfs/dbraw/zinc/28/50/72/328285072.db2.gz OCKPMXUKSPBDNH-UHFFFAOYSA-N 0 3 360.502 2.187 10 0 FEAEHN COCc1nsc(N2CC[C@@H](CN(C)Cc3scnc3C)C2)n1 ZINC000192790697 328339990 /nfs/dbraw/zinc/33/99/90/328339990.db2.gz WSOZECWYVCGNMS-LBPRGKRZSA-N 0 3 353.517 2.408 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000192936947 328347621 /nfs/dbraw/zinc/34/76/21/328347621.db2.gz FDSFJFZNLNEYMN-LJQANCHMSA-N 0 3 359.495 2.365 10 0 FEAEHN CN(C)C[C@@H](NC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 ZINC000195242741 328464023 /nfs/dbraw/zinc/46/40/23/328464023.db2.gz ABERHBQTWVCDCL-PKOBYXMFSA-N 0 3 366.465 2.394 10 0 FEAEHN CN(C)C[C@@H](NC(=O)Nc1ccccc1OCCC(N)=O)c1ccccc1 ZINC000047877406 324646634 /nfs/dbraw/zinc/64/66/34/324646634.db2.gz KTVYVBQJTPCYKR-QGZVFWFLSA-N 0 3 370.453 2.365 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000236951132 328499239 /nfs/dbraw/zinc/49/92/39/328499239.db2.gz WMZBYFQZVPTYMI-IAQYHMDHSA-N 0 3 355.841 2.137 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000237059852 328503246 /nfs/dbraw/zinc/50/32/46/328503246.db2.gz YUIOYXXWZGLWJK-LKFCYVNXSA-N 0 3 356.264 2.186 10 0 FEAEHN CCCC(=O)N[C@@H]1CCCN(CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000083170179 325214240 /nfs/dbraw/zinc/21/42/40/325214240.db2.gz VIPWGFUEGCHONP-CQSZACIVSA-N 0 3 350.438 2.117 10 0 FEAEHN COC(=O)N[C@H](CC(C)C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000089393426 325314687 /nfs/dbraw/zinc/31/46/87/325314687.db2.gz UNRLGITVXMJLKU-QGZVFWFLSA-N 0 3 362.474 2.185 10 0 FEAEHN CCc1cccc2c(CCNC(=O)NC[C@H](O)CN3CCCCC3)c[nH]c21 ZINC000111889492 325744670 /nfs/dbraw/zinc/74/46/70/325744670.db2.gz HYJPGTBKGOSBEC-SFHVURJKSA-N 0 3 372.513 2.419 10 0 FEAEHN Cc1ccc(CNC(=O)[C@@H](C)N[C@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000112551337 325790158 /nfs/dbraw/zinc/79/01/58/325790158.db2.gz NWXMZMUSMPFATB-WBVHZDCISA-N 0 3 355.486 2.319 10 0 FEAEHN C[C@H](N[C@@H]1CCc2ncnn2C1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000112550270 325790362 /nfs/dbraw/zinc/79/03/62/325790362.db2.gz QWINUEGYTAGLBB-GXFFZTMASA-N 0 3 353.348 2.229 10 0 FEAEHN CSc1ccc(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)o1 ZINC000114415445 325890904 /nfs/dbraw/zinc/89/09/04/325890904.db2.gz QQIMSQWQFHHVRI-UHFFFAOYSA-N 0 3 360.483 2.421 10 0 FEAEHN Cc1noc(C)c1CC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000115157468 325942965 /nfs/dbraw/zinc/94/29/65/325942965.db2.gz UULUUZKANYEPMK-FQEVSTJZSA-N 0 3 371.481 2.396 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2cccs2)CCO1 ZINC000116789699 326035598 /nfs/dbraw/zinc/03/55/98/326035598.db2.gz ZUZHMPZXOJINDG-AWEZNQCLSA-N 0 3 373.478 2.403 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)C2(c3ccccc3Cl)CCOCC2)CCO1 ZINC000116797175 326036467 /nfs/dbraw/zinc/03/64/67/326036467.db2.gz OYWSMOVOWUYQFP-HNNXBMFYSA-N 0 3 366.889 2.177 10 0 FEAEHN Cc1ccc(OCc2cccc(C(=O)N3CCO[C@@H](CN(C)C)C3)c2)cn1 ZINC000116795106 326036575 /nfs/dbraw/zinc/03/65/75/326036575.db2.gz RLGZZNUDIVAFSC-FQEVSTJZSA-N 0 3 369.465 2.372 10 0 FEAEHN CC(C)COc1ccc(CCNC(=O)N2CCO[C@@H](CN(C)C)C2)cc1 ZINC000117047269 326049240 /nfs/dbraw/zinc/04/92/40/326049240.db2.gz XRSFGEPFFRNWOG-IBGZPJMESA-N 0 3 363.502 2.236 10 0 FEAEHN CCN1CCN(c2ccc(NC(=O)NCCn3cc(C)cn3)c(C)c2)CC1 ZINC000117951582 326074946 /nfs/dbraw/zinc/07/49/46/326074946.db2.gz BTSAKJKQIHPAJY-UHFFFAOYSA-N 0 3 370.501 2.464 10 0 FEAEHN CC[C@@H](O)CN1CCN(CCC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000118858422 326109419 /nfs/dbraw/zinc/10/94/19/326109419.db2.gz KDLMMVSBSZZWQY-OAHLLOKOSA-N 0 3 369.893 2.066 10 0 FEAEHN CCC[C@@H](C(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1)N(C)C ZINC000119412456 326158887 /nfs/dbraw/zinc/15/88/87/326158887.db2.gz CXJJRRXWUUTGOL-ZFWWWQNUSA-N 0 3 362.392 2.292 10 0 FEAEHN O=C(Cc1c(F)cccc1F)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000119869632 326206883 /nfs/dbraw/zinc/20/68/83/326206883.db2.gz DWYVJEQFGQOFPX-INIZCTEOSA-N 0 3 360.404 2.043 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)Cc1ccc(Br)cc1 ZINC000120601145 326271755 /nfs/dbraw/zinc/27/17/55/326271755.db2.gz IXUVRDLQMRSNJG-SWLSCSKDSA-N 0 3 373.316 2.447 10 0 FEAEHN CCOCCN1CCN(Cc2cn(C)nc2-c2cccnc2)C[C@@H]1CC ZINC000120992031 326304567 /nfs/dbraw/zinc/30/45/67/326304567.db2.gz ZJMVFWNTYIIDKJ-IBGZPJMESA-N 0 3 357.502 2.415 10 0 FEAEHN Cc1nccn1-c1ccc([C@@H](C)NC(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000123307656 326427032 /nfs/dbraw/zinc/42/70/32/326427032.db2.gz FVGKEHHTONUZIG-DNVCBOLYSA-N 0 3 371.485 2.214 10 0 FEAEHN Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@@H](C)[C@@H](N)c3ccccc3)CCO2)n1 ZINC000246178461 328596733 /nfs/dbraw/zinc/59/67/33/328596733.db2.gz BWFCBSJYHZKVFY-YTQUADARSA-N 0 3 356.470 2.063 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NCCc2csc(-c3ccccc3)n2)CCO1 ZINC000131358805 326573389 /nfs/dbraw/zinc/57/33/89/326573389.db2.gz YNUBVMMOTPVADC-KRWDZBQOSA-N 0 3 374.510 2.325 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)C1 ZINC000133973262 326617732 /nfs/dbraw/zinc/61/77/32/326617732.db2.gz AUNQIKBPIPHMHL-TZMCWYRMSA-N 0 3 354.857 2.403 10 0 FEAEHN C[C@H](NC(=O)N[C@H](Cc1ccccc1)CN(C)C)c1nnc2n1CCCC2 ZINC000137179188 326658705 /nfs/dbraw/zinc/65/87/05/326658705.db2.gz ALOHPKXGOXTIHY-DOTOQJQBSA-N 0 3 370.501 2.148 10 0 FEAEHN COC(=O)[C@@H](c1ccccc1)N(C)C1CCN(CCn2cccn2)CC1 ZINC000155110940 326778206 /nfs/dbraw/zinc/77/82/06/326778206.db2.gz SUZJWNUZNLJIFQ-LJQANCHMSA-N 0 3 356.470 2.194 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)CCO1 ZINC000155476175 326789126 /nfs/dbraw/zinc/78/91/26/326789126.db2.gz QFDXZZCUITYTHP-MJGOQNOKSA-N 0 3 372.444 2.282 10 0 FEAEHN CNc1cc(N2CCC[C@H]2CNCc2cnc3ccc(C)cn23)ncn1 ZINC000156582333 326836751 /nfs/dbraw/zinc/83/67/51/326836751.db2.gz OUSUXDOZKZDKHQ-HNNXBMFYSA-N 0 3 351.458 2.233 10 0 FEAEHN CC(C)N(CCN(C)C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000157346029 326862834 /nfs/dbraw/zinc/86/28/34/326862834.db2.gz SXQCWLCZKNHNSY-AWEZNQCLSA-N 0 3 355.504 2.133 10 0 FEAEHN CC(C)(C)OC[C@@H](O)CN1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000157890501 326878500 /nfs/dbraw/zinc/87/85/00/326878500.db2.gz JEVHVKAPDIEFRT-SFHVURJKSA-N 0 3 360.498 2.464 10 0 FEAEHN C[C@H](N)C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000158123865 326885826 /nfs/dbraw/zinc/88/58/26/326885826.db2.gz CRADYLZQZILLIV-ZETCQYMHSA-N 0 3 355.154 2.310 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000170844637 327102114 /nfs/dbraw/zinc/10/21/14/327102114.db2.gz MCIQEXDMNJOMBY-JTQLQIEISA-N 0 3 361.776 2.042 10 0 FEAEHN Cc1cc(NC(=O)C(=O)N2CC[C@H](N(C)C)C2)ccc1Oc1cccnc1 ZINC000170843098 327102223 /nfs/dbraw/zinc/10/22/23/327102223.db2.gz SJILLPICDJCSSZ-INIZCTEOSA-N 0 3 368.437 2.283 10 0 FEAEHN CCOc1ccc(NC(=O)C(=O)N2CC[C@H](N(C)C)C2)c(C(F)(F)F)c1 ZINC000170843166 327102260 /nfs/dbraw/zinc/10/22/60/327102260.db2.gz XKSPNXWOSUNYEG-NSHDSACASA-N 0 3 373.375 2.205 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)C1 ZINC000170857332 327103047 /nfs/dbraw/zinc/10/30/47/327103047.db2.gz IBGOSGWQECXISZ-MRXNPFEDSA-N 0 3 359.857 2.326 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)C1 ZINC000170862973 327103665 /nfs/dbraw/zinc/10/36/65/327103665.db2.gz JQNNMASDNLJMMM-SFHVURJKSA-N 0 3 352.434 2.459 10 0 FEAEHN Cc1cccc(NC[C@H]2CCN(CC(=O)NC(=O)Nc3ccccc3)C2)n1 ZINC000171651143 327151658 /nfs/dbraw/zinc/15/16/58/327151658.db2.gz WGNZUVAEYBUDDO-MRXNPFEDSA-N 0 3 367.453 2.472 10 0 FEAEHN COc1ccc(CNC(=O)N2CCN3CCC[C@@H]3C2)cc1Br ZINC000171906461 327169277 /nfs/dbraw/zinc/16/92/77/327169277.db2.gz XVCPZEKBXAICNX-CYBMUJFWSA-N 0 3 368.275 2.447 10 0 FEAEHN CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCN3CCC[C@@H]3C2)nc1 ZINC000171939406 327171464 /nfs/dbraw/zinc/17/14/64/327171464.db2.gz DQILOWGTFNQULM-MRXNPFEDSA-N 0 3 366.531 2.174 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)NCc3ccccc3)CC2)nc1 ZINC000172017563 327176237 /nfs/dbraw/zinc/17/62/37/327176237.db2.gz MXXGVYPRAFCOHR-UHFFFAOYSA-N 0 3 353.470 2.175 10 0 FEAEHN C[C@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)c1ccc(Br)cc1 ZINC000172115388 327181775 /nfs/dbraw/zinc/18/17/75/327181775.db2.gz PJDSROJOFIGMSA-WFASDCNBSA-N 0 3 370.291 2.482 10 0 FEAEHN COCCCN1CCC(NC(=O)N[C@@H](C)COCc2ccccc2)CC1 ZINC000173178212 327239262 /nfs/dbraw/zinc/23/92/62/327239262.db2.gz IZHPQSXQIHREDA-KRWDZBQOSA-N 0 3 363.502 2.392 10 0 FEAEHN CN(C)C[C@H]1CN(Cc2csc(CC(=O)Nc3ccccc3)n2)CCO1 ZINC000173339089 327250650 /nfs/dbraw/zinc/25/06/50/327250650.db2.gz XXXMYXWRXDKXCH-KRWDZBQOSA-N 0 3 374.510 2.087 10 0 FEAEHN COc1ccc(Br)cc1CC(=O)N1CCN2CCC[C@H]2C1 ZINC000173574968 327268206 /nfs/dbraw/zinc/26/82/06/327268206.db2.gz ZTYUTSIEZITVGE-AWEZNQCLSA-N 0 3 353.260 2.307 10 0 FEAEHN CCCCNC(=O)[C@@H](C)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000173646253 327273402 /nfs/dbraw/zinc/27/34/02/327273402.db2.gz OOVUAUCEDZBTMC-HZPDHXFCSA-N 0 3 353.532 2.324 10 0 FEAEHN C[C@H](NC(=O)NC[C@H](O)CN1CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000173654845 327273933 /nfs/dbraw/zinc/27/39/33/327273933.db2.gz JQJGKUVOSLNUKC-LPHOPBHVSA-N 0 3 371.485 2.079 10 0 FEAEHN CC(C)(C)c1ccc(OC[C@H](O)CN2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173950748 327297267 /nfs/dbraw/zinc/29/72/67/327297267.db2.gz IZDIDDOTAVHXNI-RBUKOAKNSA-N 0 3 362.514 2.130 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CNC[C@]1(C)CCCC[C@@H]1O ZINC000174938841 327362210 /nfs/dbraw/zinc/36/22/10/327362210.db2.gz RXIJBAAKTXKRKQ-PXNSSMCTSA-N 0 3 364.534 2.411 10 0 FEAEHN Cc1ccc([C@H](CN[C@H]2CCCN(C(C)C)C2=O)N2CCOCC2)s1 ZINC000175017086 327368361 /nfs/dbraw/zinc/36/83/61/327368361.db2.gz OVDCPAPJNUDTKL-IRXDYDNUSA-N 0 3 365.543 2.419 10 0 FEAEHN CCOC(=O)c1ccsc1NC(=O)CN(C)C[C@@H]1CCCN1CC ZINC000175353796 327388756 /nfs/dbraw/zinc/38/87/56/327388756.db2.gz YSAALYJFKZFEDJ-ZDUSSCGKSA-N 0 3 353.488 2.279 10 0 FEAEHN CCCCO[C@@H]1C[C@@H](NC(=O)NC[C@@H](O)CN2CCCCC2)C1(C)C ZINC000247296223 328679084 /nfs/dbraw/zinc/67/90/84/328679084.db2.gz HSJQYFSBJOEFOZ-BRWVUGGUSA-N 0 3 355.523 2.116 10 0 FEAEHN Cc1ccc(Nc2cccc(-c3nc([C@H]4CNCCN4C)no3)c2)nn1 ZINC000263184927 328923014 /nfs/dbraw/zinc/92/30/14/328923014.db2.gz HEIYRXMGEOYMDV-OAHLLOKOSA-N 0 3 351.414 2.155 10 0 FEAEHN COc1ccc(-c2nc(-c3nc([C@@H]4CNCCN4C)no3)cs2)cc1 ZINC000263236894 328927472 /nfs/dbraw/zinc/92/74/72/328927472.db2.gz OCVANVHZVUHUCB-AWEZNQCLSA-N 0 3 357.439 2.445 10 0 FEAEHN Cc1noc(C)c1COc1ccccc1-c1nc([C@@H]2CNCCN2C)no1 ZINC000263310839 328932181 /nfs/dbraw/zinc/93/21/81/328932181.db2.gz YQHYFUGTVCFOMA-INIZCTEOSA-N 0 3 369.425 2.497 10 0 FEAEHN CCc1cc(N2CCN(C[C@H](C)O)[C@H](CC)C2)nc(-c2ccncc2)n1 ZINC000264561620 329035983 /nfs/dbraw/zinc/03/59/83/329035983.db2.gz PCOGRVWNZFCIRV-MAUKXSAKSA-N 0 3 355.486 2.382 10 0 FEAEHN COc1ccc2c(C)nc(N3CCN([C@H]4CCCC[C@@H]4O)CC3)nc2c1 ZINC000067674606 536963797 /nfs/dbraw/zinc/96/37/97/536963797.db2.gz BQRMCGYDKHUNGT-OALUTQOASA-N 0 3 356.470 2.372 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000155620322 545550298 /nfs/dbraw/zinc/55/02/98/545550298.db2.gz SLLQLWRDYJDRSW-HOCLYGCPSA-N 0 3 360.454 2.266 10 0 FEAEHN O=C(NCc1nccn1CCc1ccccc1)N1CCN2CCC[C@@H]2C1 ZINC000175923067 546371942 /nfs/dbraw/zinc/37/19/42/546371942.db2.gz XXXHVMSUUDZJPW-GOSISDBHSA-N 0 3 353.470 2.115 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1ccccc1N1CCOCC1 ZINC000176282594 546426972 /nfs/dbraw/zinc/42/69/72/546426972.db2.gz CMQMMUMLYXQLPI-SFHVURJKSA-N 0 3 360.502 2.149 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1N1CCOCC1 ZINC000176282572 546427216 /nfs/dbraw/zinc/42/72/16/546427216.db2.gz CMQMMUMLYXQLPI-GOSISDBHSA-N 0 3 360.502 2.149 10 0 FEAEHN CCc1cc(N2CCC[C@@H](NC(=O)N(C)C[C@@H]3CCCN3CC)C2)ncn1 ZINC000176357727 546435962 /nfs/dbraw/zinc/43/59/62/546435962.db2.gz IBMSYZWQAWRLRH-MSOLQXFVSA-N 0 3 374.533 2.134 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc2nc(OC)ccc2c1 ZINC000176902538 546504930 /nfs/dbraw/zinc/50/49/30/546504930.db2.gz GKGVYDRXSVXZEH-MRXNPFEDSA-N 0 3 370.453 2.125 10 0 FEAEHN CCN(C(=O)C(C)S(=O)(=O)Cc1nccn1CC)C1CCCCC1 ZINC000176906116 546505677 /nfs/dbraw/zinc/50/56/77/546505677.db2.gz AYXIQFIYKBGVKC-CQSZACIVSA-N 0 3 355.504 2.388 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Cc1cc(OC)c(OC)c(OC)c1 ZINC000176974321 546517485 /nfs/dbraw/zinc/51/74/85/546517485.db2.gz QSINJSMRLNSWJJ-OAHLLOKOSA-N 0 3 350.459 2.198 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCCN1CCc2sccc2C1 ZINC000177424457 546614949 /nfs/dbraw/zinc/61/49/49/546614949.db2.gz KUPKNBGZPYFBNR-MRXNPFEDSA-N 0 3 350.532 2.232 10 0 FEAEHN CC(C)Oc1ccc(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)cc1Cl ZINC000177680633 546665848 /nfs/dbraw/zinc/66/58/48/546665848.db2.gz YQIFDTBLSHHJAH-AWEZNQCLSA-N 0 3 365.861 2.372 10 0 FEAEHN CS(=O)(=O)c1ccc(OCCCN2CCN3CCCC[C@@H]3C2)cc1 ZINC000177772662 546683360 /nfs/dbraw/zinc/68/33/60/546683360.db2.gz ULEVFYXELHHBCF-MRXNPFEDSA-N 0 3 352.500 2.029 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)NCCCN(C)c1ccccc1 ZINC000178303425 546771820 /nfs/dbraw/zinc/77/18/20/546771820.db2.gz WJOASTVIQUUBMP-FQEVSTJZSA-N 0 3 369.513 2.299 10 0 FEAEHN CNC(=O)[C@H](NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1)C(C)C ZINC000178430389 546793262 /nfs/dbraw/zinc/79/32/62/546793262.db2.gz QNOLXNMLXJBGAP-ZWKOTPCHSA-N 0 3 360.502 2.202 10 0 FEAEHN O=C(CN1CCN2CCC[C@@H]2C1)Nc1ccc(Br)cc1F ZINC000178626711 546822776 /nfs/dbraw/zinc/82/27/76/546822776.db2.gz GZEGPWNEOLEAAT-GFCCVEGCSA-N 0 3 356.239 2.307 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1CC(=O)NCCOc1c(C)cccc1C ZINC000178755443 546844363 /nfs/dbraw/zinc/84/43/63/546844363.db2.gz ZIEYUQFQLAGJAV-LJQANCHMSA-N 0 3 370.497 2.468 10 0 FEAEHN CCOc1cccc(CNC(=O)CN2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000178753632 546844936 /nfs/dbraw/zinc/84/49/36/546844936.db2.gz YKUVOJNQJAOGMM-GOSISDBHSA-N 0 3 356.470 2.371 10 0 FEAEHN CCC[C@H](C(=O)NCCCCN1CCN(c2ccccc2)CC1)N(C)C ZINC000179547161 546975457 /nfs/dbraw/zinc/97/54/57/546975457.db2.gz LTPHYRCFJHZQCN-HXUWFJFHSA-N 0 3 360.546 2.435 10 0 FEAEHN CCN1CC[C@@H](NC(=O)NCCN(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179965157 547033570 /nfs/dbraw/zinc/03/35/70/547033570.db2.gz PEWGEHMHCYSINB-CVEARBPZSA-N 0 3 356.873 2.475 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000180103406 547052456 /nfs/dbraw/zinc/05/24/56/547052456.db2.gz MWSJRFFXLILSGT-LLVKDONJSA-N 0 3 359.804 2.499 10 0 FEAEHN C[C@@H](N[C@H]1CCCN(c2cnn(C)c2)C1=O)c1cccc(-n2ccnc2)c1 ZINC000180653424 547150443 /nfs/dbraw/zinc/15/04/43/547150443.db2.gz QAYMDIUUVBEKQW-BEFAXECRSA-N 0 3 364.453 2.452 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCc1nnc2n1CCCCC2 ZINC000181309553 547290480 /nfs/dbraw/zinc/29/04/80/547290480.db2.gz STLXDBRYPRZUHR-INIZCTEOSA-N 0 3 370.501 2.324 10 0 FEAEHN CC[C@@H]1CN(CC2CCN(C(=O)C(C)(C)C)CC2)CCN1C[C@@H](C)O ZINC000181687836 547360156 /nfs/dbraw/zinc/36/01/56/547360156.db2.gz QVMFDSGOWPAFGA-SJLPKXTDSA-N 0 3 353.551 2.048 10 0 FEAEHN COC(=O)c1ccccc1OCCN1CCCN(c2ccc(C)nn2)CC1 ZINC000182134492 547442687 /nfs/dbraw/zinc/44/26/87/547442687.db2.gz VFWZUQUFWDJYKV-UHFFFAOYSA-N 0 3 370.453 2.163 10 0 FEAEHN COC(=O)c1ccccc1OCCN(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000182134802 547443212 /nfs/dbraw/zinc/44/32/12/547443212.db2.gz HJVGDYBKWYMEEC-MRXNPFEDSA-N 0 3 370.453 2.243 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)C1 ZINC000183526128 547675164 /nfs/dbraw/zinc/67/51/64/547675164.db2.gz OUWPJUOEEYVQGS-JSGCOSHPSA-N 0 3 354.857 2.403 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2csc(Cc3cccc(F)c3)n2)CCO1 ZINC000183821111 547725689 /nfs/dbraw/zinc/72/56/89/547725689.db2.gz SWMDQZRMSRXRKT-OAHLLOKOSA-N 0 3 363.458 2.276 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)CCc3ccc(O)cc3)CC2)nc1 ZINC000183881280 547733065 /nfs/dbraw/zinc/73/30/65/547733065.db2.gz OMPYNMCOWOYVSK-UHFFFAOYSA-N 0 3 368.481 2.130 10 0 FEAEHN CN(C)C1(CN(C)C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CCC1 ZINC000187013611 548240946 /nfs/dbraw/zinc/24/09/46/548240946.db2.gz UYNDRBWJBLFQAW-WMZOPIPTSA-N 0 3 361.461 2.288 10 0 FEAEHN CN(C)C[C@@H]1CN(CCOc2cc(F)cc(Br)c2)CCO1 ZINC000188967499 548293088 /nfs/dbraw/zinc/29/30/88/548293088.db2.gz AYZBUEQEJZBUSI-OAHLLOKOSA-N 0 3 361.255 2.229 10 0 FEAEHN COc1ccccc1[C@H](CNC(=O)NC[C@@H]1CCCN1C)N1CCCC1 ZINC000195122111 548580694 /nfs/dbraw/zinc/58/06/94/548580694.db2.gz IPEIKQCZTGKMLU-WMZOPIPTSA-N 0 3 360.502 2.226 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(CC(=O)NCC2CCC2)C1 ZINC000195263411 548606748 /nfs/dbraw/zinc/60/67/48/548606748.db2.gz DQRYVVDAAXYVQS-INIZCTEOSA-N 0 3 350.532 2.122 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(Cc2cn3cccnc3n2)C1 ZINC000195266488 548608141 /nfs/dbraw/zinc/60/81/41/548608141.db2.gz BFBHBTAMEHRGAL-HNNXBMFYSA-N 0 3 356.499 2.448 10 0 FEAEHN O=C(COc1ccc(Br)cc1F)N1CCN2CCC[C@H]2C1 ZINC000195310938 548619481 /nfs/dbraw/zinc/61/94/81/548619481.db2.gz XYCSJCGAJSVINR-LBPRGKRZSA-N 0 3 357.223 2.274 10 0 FEAEHN O=C(CN1CCC(c2ccn[nH]2)CC1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000195507222 548651982 /nfs/dbraw/zinc/65/19/82/548651982.db2.gz SHUOOYDKWZYIFV-QGZVFWFLSA-N 0 3 367.497 2.232 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000245425135 548914901 /nfs/dbraw/zinc/91/49/01/548914901.db2.gz DMXYGRXIJWGVCH-IRXDYDNUSA-N 0 3 352.523 2.007 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(C)cc1C(=O)OC ZINC000245550582 548944903 /nfs/dbraw/zinc/94/49/03/548944903.db2.gz ORKLPMURNNGDRI-CABCVRRESA-N 0 3 366.483 2.029 10 0 FEAEHN O=C([C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N1CCN2CCC[C@H]2C1 ZINC000245695425 548976829 /nfs/dbraw/zinc/97/68/29/548976829.db2.gz BGZKIXXDDKDGDJ-OCCSQVGLSA-N 0 3 365.836 2.139 10 0 FEAEHN COC(=O)[C@H](c1cccc(Br)c1)N1CCN2CCC[C@H]2C1 ZINC000245888810 549011728 /nfs/dbraw/zinc/01/17/28/549011728.db2.gz JFEAZNTZBMTQFR-GJZGRUSLSA-N 0 3 353.260 2.443 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000245912788 549016680 /nfs/dbraw/zinc/01/66/80/549016680.db2.gz DSBRIDLRLINVPZ-GDBMZVCRSA-N 0 3 367.453 2.030 10 0 FEAEHN C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)O1 ZINC000246014630 549036467 /nfs/dbraw/zinc/03/64/67/549036467.db2.gz LPYUMAQYPKTUJJ-CEXWTWQISA-N 0 3 372.513 2.010 10 0 FEAEHN C[C@H](CNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)CN1CCN(C)CC1 ZINC000246013112 549036514 /nfs/dbraw/zinc/03/65/14/549036514.db2.gz IWSRPVKFDRTBRU-KBMXLJTQSA-N 0 3 351.441 2.068 10 0 FEAEHN CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N1CCO[C@@H](CN(C)C)C1 ZINC000246232465 549084646 /nfs/dbraw/zinc/08/46/46/549084646.db2.gz CJRLOHSDZAFEHA-ZFWWWQNUSA-N 0 3 373.453 2.225 10 0 FEAEHN COc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1Cl ZINC000246272153 549093279 /nfs/dbraw/zinc/09/32/79/549093279.db2.gz ARSWZWUBVLPWLQ-SMDDNHRTSA-N 0 3 353.850 2.132 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000246423237 549129691 /nfs/dbraw/zinc/12/96/91/549129691.db2.gz MRNIEEYMQZLOIZ-BXUZGUMPSA-N 0 3 368.275 2.233 10 0 FEAEHN COCCN1CCN(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C[C@@H]1C ZINC000246475471 549141663 /nfs/dbraw/zinc/14/16/63/549141663.db2.gz HBHXTXWRDMQCJW-CMKODMSKSA-N 0 3 374.529 2.012 10 0 FEAEHN CC(C)(C)c1ccc(OC[C@H](O)CN2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000246921293 549243208 /nfs/dbraw/zinc/24/32/08/549243208.db2.gz IZDIDDOTAVHXNI-RTBURBONSA-N 0 3 362.514 2.130 10 0 FEAEHN O=C(C[C@@H]1CCCN1C[C@@H](O)COC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000246939882 549247052 /nfs/dbraw/zinc/24/70/52/549247052.db2.gz UBOLFLGJQLWIGI-IPMKNSEASA-N 0 3 365.445 2.419 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000246953397 549250690 /nfs/dbraw/zinc/25/06/90/549250690.db2.gz KTGYPULMWFGMGN-OLZOCXBDSA-N 0 3 368.890 2.235 10 0 FEAEHN CCN1CCCC[C@H]1C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000247063415 549274677 /nfs/dbraw/zinc/27/46/77/549274677.db2.gz XOEQKVRDTDRSLG-LEWJYISDSA-N 0 3 373.541 2.423 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1-c1ncco1 ZINC000247107783 549283870 /nfs/dbraw/zinc/28/38/70/549283870.db2.gz OZOCJGGEJZVQMR-PBHICJAKSA-N 0 3 370.453 2.433 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)C1 ZINC000248146614 549412229 /nfs/dbraw/zinc/41/22/29/549412229.db2.gz ZUAQPESHSYZRDA-JYYRGQEPSA-N 0 3 361.461 2.190 10 0 FEAEHN Cc1ccc(Cl)c(OC[C@H](O)CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000248599951 549465481 /nfs/dbraw/zinc/46/54/81/549465481.db2.gz UTLOJKKMBDPXRU-NUJGCVRESA-N 0 3 368.905 2.041 10 0 FEAEHN COc1c(CN2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c(C)nn1C ZINC000248644031 549475084 /nfs/dbraw/zinc/47/50/84/549475084.db2.gz RWMHCIYDBYMYJI-BPUTZDHNSA-N 0 3 364.490 2.472 10 0 FEAEHN CCN(CC)C(=O)[C@H](C)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000248662651 549479851 /nfs/dbraw/zinc/47/98/51/549479851.db2.gz YQVAOZQBJYCZTM-HOTGVXAUSA-N 0 3 352.548 2.462 10 0 FEAEHN COCCOc1cc(OC)ccc1C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000248948748 549531054 /nfs/dbraw/zinc/53/10/54/549531054.db2.gz CSZFLUGGEZSAFU-RHSMWYFYSA-N 0 3 350.459 2.179 10 0 FEAEHN Cc1cc(C)nc(-n2nccc2NC(=O)N[C@H]2CN(C(C)C)C[C@H]2C)n1 ZINC000249091849 549549660 /nfs/dbraw/zinc/54/96/60/549549660.db2.gz OBADENKBALFZHV-DOMZBBRYSA-N 0 3 357.462 2.129 10 0 FEAEHN CC(C)OCc1cccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1 ZINC000249175086 549563943 /nfs/dbraw/zinc/56/39/43/549563943.db2.gz LYVDFLMWRJBNPK-QAPCUYQASA-N 0 3 359.470 2.245 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000249202230 549568596 /nfs/dbraw/zinc/56/85/96/549568596.db2.gz REMGWOCYSLRKRT-CJNGLKHVSA-N 0 3 370.478 2.444 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000249262420 549574357 /nfs/dbraw/zinc/57/43/57/549574357.db2.gz ZEGUUJJTXMYSSE-SJORKVTESA-N 0 3 354.454 2.202 10 0 FEAEHN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)C1 ZINC000251565630 549648852 /nfs/dbraw/zinc/64/88/52/549648852.db2.gz GYHQEBLKTVVAGC-GUDVDZBRSA-N 0 3 373.497 2.341 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)[C@](C)(N)c2ccc(Br)cc2)C1 ZINC000261635184 549737333 /nfs/dbraw/zinc/73/73/33/549737333.db2.gz CBRUIKPMLHPFOB-GDBMZVCRSA-N 0 3 354.292 2.224 10 0 FEAEHN N[C@@H](C(=O)Nc1ccc(OCc2ccccn2)c(F)c1)C1CCOCC1 ZINC000262033074 549782080 /nfs/dbraw/zinc/78/20/80/549782080.db2.gz PLYJODNZDIOUSC-GOSISDBHSA-N 0 3 359.401 2.492 10 0 FEAEHN CC(C)Oc1ccc2nccc(N3CCO[C@H](C[N@H+](C)CC(=O)[O-])C3)c2c1 ZINC000263396570 549899429 /nfs/dbraw/zinc/89/94/29/549899429.db2.gz HVCMIXGFFGGDHK-MRXNPFEDSA-N 0 3 373.453 2.244 10 0 FEAEHN CC(C)Oc1ccc2nccc(N3CCO[C@H](C[N@@H+](C)CC(=O)[O-])C3)c2c1 ZINC000263396570 549899430 /nfs/dbraw/zinc/89/94/30/549899430.db2.gz HVCMIXGFFGGDHK-MRXNPFEDSA-N 0 3 373.453 2.244 10 0 FEAEHN CCCN1CCCN(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)CC1 ZINC000301390003 553647983 /nfs/dbraw/zinc/64/79/83/553647983.db2.gz GCNDXYSQYHBLTO-UHFFFAOYSA-N 0 3 365.421 2.275 10 0 FEAEHN Cc1cc(NC[C@H](O)CN2CCOCC2)c2cc(OC(F)F)ccc2n1 ZINC000301703745 553673048 /nfs/dbraw/zinc/67/30/48/553673048.db2.gz APEYGCXRKAYMEJ-ZDUSSCGKSA-N 0 3 367.396 2.250 10 0 FEAEHN COc1cc2c(c(CNC[C@H]3CCc4c(C(N)=O)cnn4C3)c1)O[C@@H](C)C2 ZINC000328627093 553798590 /nfs/dbraw/zinc/79/85/90/553798590.db2.gz FVEOKXGIFSRGQR-QWHCGFSZSA-N 0 3 370.453 2.451 10 0 FEAEHN Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1F ZINC000087134381 670685911 /nfs/dbraw/zinc/68/59/11/670685911.db2.gz UZVIVSIGHYXARU-ZBFHGGJFSA-N 0 3 350.482 2.378 10 0 FEAEHN CC[C@@H]1CN(Cc2cc(OC)ccc2OCOC)CCN1CCOC ZINC000120959732 671939467 /nfs/dbraw/zinc/93/94/67/671939467.db2.gz KGFIPMDCWOKILN-QGZVFWFLSA-N 0 3 352.475 2.221 10 0 FEAEHN O=C([O-])C[N@H+](CC1CC1)C1CC(NC2CCN(c3nccs3)CC2)C1 ZINC000263522730 672935319 /nfs/dbraw/zinc/93/53/19/672935319.db2.gz RVTRXYSBSWWKTB-UHFFFAOYSA-N 0 3 364.515 2.029 10 0 FEAEHN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC2CCN(c3nccs3)CC2)C1 ZINC000263522730 672935322 /nfs/dbraw/zinc/93/53/22/672935322.db2.gz RVTRXYSBSWWKTB-UHFFFAOYSA-N 0 3 364.515 2.029 10 0 FEAEHN CC[C@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccc(F)cn1 ZINC000702767443 673058546 /nfs/dbraw/zinc/05/85/46/673058546.db2.gz YJLLUUSAZWIJDJ-IVMMDQJWSA-N 0 3 353.438 2.489 10 0 FEAEHN CN(C)[C@@H]1CN(Cc2cc(Cl)cc3cccnc32)C[C@@H]1n1ccnn1 ZINC000859754899 683151987 /nfs/dbraw/zinc/15/19/87/683151987.db2.gz ROTGFJJQNJOTLH-SJORKVTESA-N 0 3 356.861 2.467 10 0 FEAEHN CCN1CCN(Cc2ccc(CNC(=O)N[C@@H](C)[C@@H]3CCCO3)cc2)CC1 ZINC000046121091 540243179 /nfs/dbraw/zinc/24/31/79/540243179.db2.gz VZSJDXBHNMOUHZ-PXNSSMCTSA-N 0 3 374.529 2.191 10 0 FEAEHN CC(C)C(=O)N1CCC(NC(=O)N[C@H](CN(C)C)c2ccccc2)CC1 ZINC000048216726 540351951 /nfs/dbraw/zinc/35/19/51/540351951.db2.gz ZCOYVFRDHGINIY-GOSISDBHSA-N 0 3 360.502 2.236 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)C1 ZINC000052593849 540476649 /nfs/dbraw/zinc/47/66/49/540476649.db2.gz UEXNUUDLBGISFI-SFHVURJKSA-N 0 3 372.513 2.383 10 0 FEAEHN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCN(C)Cc1ccccc1 ZINC000053348760 540528255 /nfs/dbraw/zinc/52/82/55/540528255.db2.gz HWHSJPYTEWGPTF-MRXNPFEDSA-N 0 3 354.454 2.445 10 0 FEAEHN O=C(NCCOc1cccc2ccccc21)NC[C@@H](O)CN1CCCCC1 ZINC000056961937 540758161 /nfs/dbraw/zinc/75/81/61/540758161.db2.gz QOUXZGOZHMWLMK-GOSISDBHSA-N 0 3 371.481 2.365 10 0 FEAEHN Cc1cc2n(n1)c1ccccc1c(=O)n2C[C@@H](O)CN1CCC(C)CC1 ZINC000058161263 540830731 /nfs/dbraw/zinc/83/07/31/540830731.db2.gz BPAMSCFXHZBTGA-INIZCTEOSA-N 0 3 354.454 2.050 10 0 FEAEHN O=C(c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1)N1CCSCC1 ZINC000065255958 541230702 /nfs/dbraw/zinc/23/07/02/541230702.db2.gz NDFPBUPEUQSDGD-GOSISDBHSA-N 0 3 368.506 2.422 10 0 FEAEHN CN(C[C@H]1CCN(C)C1)C(=O)c1ccccc1I ZINC000071190463 541765994 /nfs/dbraw/zinc/76/59/94/541765994.db2.gz YXLCXOBBEFMKQG-NSHDSACASA-N 0 3 358.223 2.315 10 0 FEAEHN CN(C)CCN(Cc1cccn1C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000096294893 209149512 /nfs/dbraw/zinc/14/95/12/209149512.db2.gz KFOODTTXMQYWJR-SFHVURJKSA-N 0 3 365.905 2.482 10 0 FEAEHN CCN1CCN(CCC(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000075262881 542164444 /nfs/dbraw/zinc/16/44/44/542164444.db2.gz BBJZCIPLDCPTKL-KRWDZBQOSA-N 0 3 355.486 2.077 10 0 FEAEHN CCN1CCC[C@H]1CNC(=O)c1cc2c(c3ccccc3n(C)c2=O)n1C ZINC000004938696 207064492 /nfs/dbraw/zinc/06/44/92/207064492.db2.gz OMRGMEMGXQGGKE-AWEZNQCLSA-N 0 3 366.465 2.244 10 0 aggregator FEAEHN CN(C(=O)CCc1cnccn1)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012301051 207355420 /nfs/dbraw/zinc/35/54/20/207355420.db2.gz JJPDSAFWANTYGW-HXUWFJFHSA-N 0 3 364.493 2.499 10 0 FEAEHN O=C1C(=O)N(Cc2ccc(F)c(F)c2)c2cccc(N3CCNCC3)c21 ZINC000033358695 132378030 /nfs/dbraw/zinc/37/80/30/132378030.db2.gz UQKUBGLORKYGGF-UHFFFAOYSA-N 0 3 357.360 2.104 10 0 FEAEHN CCc1nc2ccccc2n1C1CCN(C[C@H](O)CN2CCCC2=O)CC1 ZINC000093300164 542924543 /nfs/dbraw/zinc/92/45/43/542924543.db2.gz XWINASCSLMWJIL-KRWDZBQOSA-N 0 3 370.497 2.219 10 0 FEAEHN CN(C)CCOc1cccc(CNC(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000105114129 543158940 /nfs/dbraw/zinc/15/89/40/543158940.db2.gz ISLLRWIPZRHEDC-SFHVURJKSA-N 0 3 360.502 2.007 10 0 FEAEHN Cc1ccc(N2CCCN(CCC(=O)Nc3cccc(F)c3)CC2)nn1 ZINC000106071701 543189159 /nfs/dbraw/zinc/18/91/59/543189159.db2.gz DOWCPCRGIJKRRN-UHFFFAOYSA-N 0 3 357.433 2.465 10 0 FEAEHN COc1ccc(NC(=O)CCN2CCCN(c3ccc(C)nn3)CC2)cc1 ZINC000106071823 543189241 /nfs/dbraw/zinc/18/92/41/543189241.db2.gz PVCBRJKIIOPSHK-UHFFFAOYSA-N 0 3 369.469 2.335 10 0 FEAEHN Cc1ccccc1NC(=O)CN(C)C1CCN(CCn2cccn2)CC1 ZINC000106130667 543205941 /nfs/dbraw/zinc/20/59/41/543205941.db2.gz ICADOYBVRSCICA-UHFFFAOYSA-N 0 3 355.486 2.226 10 0 FEAEHN COc1ccc(OCCCN2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000106156450 543210347 /nfs/dbraw/zinc/21/03/47/543210347.db2.gz MWNXKECPUCROQB-UHFFFAOYSA-N 0 3 358.486 2.406 10 0 FEAEHN CCOCCN1CCN(C[C@H](O)COc2ccccc2C)C[C@@H]1CC ZINC000106116648 543202231 /nfs/dbraw/zinc/20/22/31/543202231.db2.gz DMTASUGDJRUSBC-OALUTQOASA-N 0 3 350.503 2.167 10 0 FEAEHN Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC[C@H](Cn2cncn2)C1 ZINC000106173186 543212631 /nfs/dbraw/zinc/21/26/31/543212631.db2.gz KJMOSMHGNWCETA-MSOLQXFVSA-N 0 3 355.486 2.046 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000111826795 543418193 /nfs/dbraw/zinc/41/81/93/543418193.db2.gz YOHWYKRBTHSYNK-KRWDZBQOSA-N 0 3 366.481 2.221 10 0 FEAEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000111835451 543418638 /nfs/dbraw/zinc/41/86/38/543418638.db2.gz GYKNCWGWXIXFEJ-IRXDYDNUSA-N 0 3 374.510 2.399 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC[C@H](CNC(=O)C(C)(C)C)C2)C1 ZINC000112745406 543462565 /nfs/dbraw/zinc/46/25/65/543462565.db2.gz IZJLFDGPYUEDBP-HZPDHXFCSA-N 0 3 352.523 2.055 10 0 FEAEHN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000113227721 543478433 /nfs/dbraw/zinc/47/84/33/543478433.db2.gz CBECMDFLSDQBLN-KBXCAEBGSA-N 0 3 366.465 2.367 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)c3cccc(Cl)n3)CC2)nc1 ZINC000114415053 543514836 /nfs/dbraw/zinc/51/48/36/543514836.db2.gz FZUWPBURLWABEU-UHFFFAOYSA-N 0 3 359.861 2.154 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)NOCc3ccccc3)CC2)nc1 ZINC000114595532 543525084 /nfs/dbraw/zinc/52/50/84/543525084.db2.gz FPQBXWBKMUCMPK-UHFFFAOYSA-N 0 3 369.469 2.107 10 0 FEAEHN C[C@@H](N[C@@H]1CCc2ncnn2C1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000114752613 543535150 /nfs/dbraw/zinc/53/51/50/543535150.db2.gz VONZCGXODHBLMY-VXGBXAGGSA-N 0 3 365.840 2.022 10 0 FEAEHN COc1ncccc1C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000115157951 543552917 /nfs/dbraw/zinc/55/29/17/543552917.db2.gz FJJZEEQYIFEAGW-LJQANCHMSA-N 0 3 369.465 2.266 10 0 FEAEHN O=C(NCc1csc(-c2ccccc2)n1)NC[C@@H](O)CN1CCCCC1 ZINC000115831710 543589092 /nfs/dbraw/zinc/58/90/92/543589092.db2.gz JVZSEGUIVXWIEQ-QGZVFWFLSA-N 0 3 374.510 2.456 10 0 FEAEHN C[C@@H](C(=O)N1CCO[C@H](CN(C)C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000116791102 543615846 /nfs/dbraw/zinc/61/58/46/543615846.db2.gz LEOWLVRVVWWQPT-GHTZIAJQSA-N 0 3 373.541 2.119 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)CCO1 ZINC000118814666 543659404 /nfs/dbraw/zinc/65/94/04/543659404.db2.gz NRWCBXVCMKEWKV-QGZVFWFLSA-N 0 3 372.425 2.326 10 0 FEAEHN Cc1ccc(OC(F)F)c(CNC(=O)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000125463699 543883304 /nfs/dbraw/zinc/88/33/04/543883304.db2.gz GBXGZUANWAFDRU-AWEZNQCLSA-N 0 3 357.401 2.068 10 0 FEAEHN C[C@@H]1CN(Cc2ccc(OC[C@@H]3CCCO3)cc2)C[C@@H]1N1CCOCC1 ZINC000127427386 543992250 /nfs/dbraw/zinc/99/22/50/543992250.db2.gz AXCZLPRIYKCPHU-QMMLZNLJSA-N 0 3 360.498 2.397 10 0 FEAEHN CCOCc1cccc(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)c1 ZINC000129218488 544097775 /nfs/dbraw/zinc/09/77/75/544097775.db2.gz TWHWZGBERZOQSB-GOSISDBHSA-N 0 3 361.486 2.398 10 0 FEAEHN CCC(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)c1 ZINC000129351522 544107116 /nfs/dbraw/zinc/10/71/16/544107116.db2.gz PIFLWWAPEXDNRV-QGZVFWFLSA-N 0 3 359.470 2.454 10 0 FEAEHN CCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)cc1 ZINC000129370170 544108187 /nfs/dbraw/zinc/10/81/87/544108187.db2.gz BJMHDGXTBBZGTA-QGZVFWFLSA-N 0 3 374.485 2.210 10 0 FEAEHN O=C(Nc1cccc(CN2CCCCC2)c1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000130633075 544158736 /nfs/dbraw/zinc/15/87/36/544158736.db2.gz JBWJTWFNGKDPQP-HKUYNNGSSA-N 0 3 373.497 2.278 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2cccc(OC(F)F)c2)[C@@H](C)C1 ZINC000150791077 544472957 /nfs/dbraw/zinc/47/29/57/544472957.db2.gz GOFSPCNBJPQAIH-FZMZJTMJSA-N 0 3 355.385 2.071 10 0 FEAEHN CCCN1Cc2cccc(NC(=O)C(=O)N[C@@H]3CN(C(C)C)C[C@@H]3C)c2C1 ZINC000150793921 544473023 /nfs/dbraw/zinc/47/30/23/544473023.db2.gz WAFQFQBIAMQLQN-HNAYVOBHSA-N 0 3 372.513 2.196 10 0 FEAEHN CC(=O)c1cccc(OC[C@H](O)CN2CC[C@H](CNc3ccccn3)C2)c1 ZINC000151108135 544505794 /nfs/dbraw/zinc/50/57/94/544505794.db2.gz QGUWBCMKPQYUMN-IEBWSBKVSA-N 0 3 369.465 2.458 10 0 FEAEHN O[C@@H](COc1cccc2[nH]ccc21)CN1CC[C@H](Oc2cccnc2)C1 ZINC000152405457 544649444 /nfs/dbraw/zinc/64/94/44/544649444.db2.gz FJFNQJCGRHVBAI-WBVHZDCISA-N 0 3 353.422 2.456 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000154588688 544925526 /nfs/dbraw/zinc/92/55/26/544925526.db2.gz DSBRIDLRLINVPZ-HOCLYGCPSA-N 0 3 367.453 2.030 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)NCCCNC(=O)c1cccs1 ZINC000155099213 544988776 /nfs/dbraw/zinc/98/87/76/544988776.db2.gz IBVZVSGEBYZGGV-AWEZNQCLSA-N 0 3 354.520 2.144 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(COc3ccccc3)cc2)C1 ZINC000179653097 327653532 /nfs/dbraw/zinc/65/35/32/327653532.db2.gz BCGZAHUAGLLJPY-SFHVURJKSA-N 0 3 367.449 2.367 10 0 FEAEHN C[C@@H](N[C@@H]1CCc2ncnn2C1)c1ccc(OCc2nccn2C)cc1 ZINC000180600184 327692755 /nfs/dbraw/zinc/69/27/55/327692755.db2.gz HCFWQISNBOAVNM-GDBMZVCRSA-N 0 3 352.442 2.256 10 0 FEAEHN CC1(C(=O)N2CC[C@H](N3CCOCC3)C2)CCN(Cc2ccccc2)CC1 ZINC000182141176 327762568 /nfs/dbraw/zinc/76/25/68/327762568.db2.gz OYOCVOXGYVCESP-FQEVSTJZSA-N 0 3 371.525 2.222 10 0 FEAEHN COc1ccccc1C[C@H](C)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182356456 327771836 /nfs/dbraw/zinc/77/18/36/327771836.db2.gz AFZQLZMGVCHJLJ-YOEHRIQHSA-N 0 3 356.470 2.453 10 0 FEAEHN CN(C)C[C@@H](NC(=O)CSc1nnc2ccccn21)c1ccccc1 ZINC000182994649 327796941 /nfs/dbraw/zinc/79/69/41/327796941.db2.gz CGZTUSXFGWFTBT-OAHLLOKOSA-N 0 3 355.467 2.241 10 0 FEAEHN Cc1ccnn1-c1ccccc1NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000184575375 327873771 /nfs/dbraw/zinc/87/37/71/327873771.db2.gz NGICDPAIHRRKOT-MRXNPFEDSA-N 0 3 357.458 2.149 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000187051767 327999510 /nfs/dbraw/zinc/99/95/10/327999510.db2.gz SQAZDWVVMUABOE-INIZCTEOSA-N 0 3 362.522 2.095 10 0 FEAEHN CN(CCOCC(F)(F)C(F)F)[C@H]1CCCN(c2cccnn2)C1 ZINC000189135762 328130580 /nfs/dbraw/zinc/13/05/80/328130580.db2.gz YOKLCWOTJLVBFA-LBPRGKRZSA-N 0 3 350.360 2.294 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)Cc2c(C)n[nH]c2C)C1 ZINC000190072096 328185893 /nfs/dbraw/zinc/18/58/93/328185893.db2.gz QQJJLUBBUWVIEZ-OAHLLOKOSA-N 0 3 361.515 2.314 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(SC(F)F)nc1 ZINC000190081901 328186816 /nfs/dbraw/zinc/18/68/16/328186816.db2.gz ZWBKOPWLTOTPCH-ZYHUDNBSSA-N 0 3 370.425 2.030 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1-c1ncco1 ZINC000190109868 328188775 /nfs/dbraw/zinc/18/87/75/328188775.db2.gz MRWBFDNYQMARDS-GOEBONIOSA-N 0 3 368.437 2.284 10 0 FEAEHN CCOCc1cccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2CC)c1 ZINC000190336207 328200756 /nfs/dbraw/zinc/20/07/56/328200756.db2.gz AQXHDVBIFUNNGH-ZWKOTPCHSA-N 0 3 359.470 2.247 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(OCCF)c1 ZINC000190359446 328202686 /nfs/dbraw/zinc/20/26/86/328202686.db2.gz LQVNBFFKRKWKHO-JKSUJKDBSA-N 0 3 363.433 2.059 10 0 FEAEHN Cc1cc(NC(=O)C(=O)N2CC[C@H](N(C)C)C2)cc(C)c1Br ZINC000190448548 328208397 /nfs/dbraw/zinc/20/83/97/328208397.db2.gz ATPGDLVWPXNIFU-ZDUSSCGKSA-N 0 3 368.275 2.167 10 0 FEAEHN COc1cc(Br)ccc1[C@@H](C)NC[C@H](O)CN1CCCC1=O ZINC000190463366 328209269 /nfs/dbraw/zinc/20/92/69/328209269.db2.gz HRHOHZYGHJXHCM-YPMHNXCESA-N 0 3 371.275 2.092 10 0 FEAEHN COc1cc(Br)ccc1[C@H](C)NC[C@H](O)CN1CCCC1=O ZINC000190463352 328209277 /nfs/dbraw/zinc/20/92/77/328209277.db2.gz HRHOHZYGHJXHCM-AAEUAGOBSA-N 0 3 371.275 2.092 10 0 FEAEHN CCNC(=O)CCCC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000190569587 328216882 /nfs/dbraw/zinc/21/68/82/328216882.db2.gz XLQOQDMCUIQHIW-OAHLLOKOSA-N 0 3 366.531 2.038 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2cccc(C(N)=O)c2)C1 ZINC000190545495 328215096 /nfs/dbraw/zinc/21/50/96/328215096.db2.gz QWCKBOUWWHEIDG-CQSZACIVSA-N 0 3 372.494 2.145 10 0 FEAEHN CC(C)NC(=O)CCCC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190631786 328220798 /nfs/dbraw/zinc/22/07/98/328220798.db2.gz KRDAMPJLZUACMY-SFHVURJKSA-N 0 3 360.502 2.057 10 0 FEAEHN CN(C)c1ccncc1C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190647053 328221738 /nfs/dbraw/zinc/22/17/38/328221738.db2.gz AZKCSGRHJDGSJG-QGZVFWFLSA-N 0 3 353.470 2.137 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cccc3c2OCO3)C1 ZINC000190664561 328223098 /nfs/dbraw/zinc/22/30/98/328223098.db2.gz CFEMBSNKACGPSX-INIZCTEOSA-N 0 3 353.422 2.404 10 0 FEAEHN Cc1cc(CNC(=O)N2CC[C@H](CN(C)Cc3scnc3C)C2)on1 ZINC000190703217 328226045 /nfs/dbraw/zinc/22/60/45/328226045.db2.gz RFCIVTGSQDEWRD-CQSZACIVSA-N 0 3 363.487 2.411 10 0 FEAEHN Cc1cccnc1CNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190707953 328226465 /nfs/dbraw/zinc/22/64/65/328226465.db2.gz ZUDNYSCBOVVAQD-GOSISDBHSA-N 0 3 353.470 2.449 10 0 FEAEHN COCCC1(CNC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)CC1 ZINC000190728874 328228160 /nfs/dbraw/zinc/22/81/60/328228160.db2.gz NYSYLVUGIGANTR-GOSISDBHSA-N 0 3 360.502 2.362 10 0 FEAEHN CC(C)c1nnc2n1C[C@H](NCc1ccc3c(c1)sc(=O)n3C)CC2 ZINC000192531868 328324170 /nfs/dbraw/zinc/32/41/70/328324170.db2.gz VATCIYYNVPXSHR-CYBMUJFWSA-N 0 3 357.483 2.420 10 0 FEAEHN CN(C)C[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)c1ccccc1 ZINC000027150453 324430864 /nfs/dbraw/zinc/43/08/64/324430864.db2.gz QRTLTHZZKGVLBJ-LJQANCHMSA-N 0 3 364.449 2.206 10 0 FEAEHN CN(C)C(=O)C1CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000078773149 325061509 /nfs/dbraw/zinc/06/15/09/325061509.db2.gz KAORAZNXEQNJLZ-KRWDZBQOSA-N 0 3 354.878 2.018 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000079200179 325081198 /nfs/dbraw/zinc/08/11/98/325081198.db2.gz QLIPQJGMCDIRFZ-LLVKDONJSA-N 0 3 374.407 2.318 10 0 FEAEHN COCCOc1ccc(CN[C@@H]2CCCN(c3cc(C)nn3C)C2=O)cc1 ZINC000080526487 325134542 /nfs/dbraw/zinc/13/45/42/325134542.db2.gz YRPIPDBPHBMKRI-GOSISDBHSA-N 0 3 372.469 2.039 10 0 FEAEHN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCN(C)Cc1ccccc1 ZINC000087061805 325272322 /nfs/dbraw/zinc/27/23/22/325272322.db2.gz AOLIMODWZQEWGS-MRXNPFEDSA-N 0 3 356.474 2.107 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)NCC(=O)Nc1cccc2cccnc21 ZINC000101793865 325481474 /nfs/dbraw/zinc/48/14/74/325481474.db2.gz CZFIKMDYUXQVFM-INIZCTEOSA-N 0 3 371.485 2.449 10 0 FEAEHN O=C1c2ccccc2C(=O)N1CCCN1CCC(Nc2cccnn2)CC1 ZINC000106082229 325577633 /nfs/dbraw/zinc/57/76/33/325577633.db2.gz AOJMNCPSIUJUNB-UHFFFAOYSA-N 0 3 365.437 2.039 10 0 FEAEHN CSc1cc(C(=O)N(C)C2CCN(CCn3cccn3)CC2)ccn1 ZINC000109293266 325664260 /nfs/dbraw/zinc/66/42/60/325664260.db2.gz HDZUCUUHTDZUCA-UHFFFAOYSA-N 0 3 359.499 2.237 10 0 FEAEHN CC(C)(CNC(=O)N1CCO[C@@H](c2nccs2)C1)N1CCCCC1 ZINC000111798882 325734619 /nfs/dbraw/zinc/73/46/19/325734619.db2.gz CPJIWEPCILFRKR-CQSZACIVSA-N 0 3 352.504 2.491 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)NCCc1ccc(F)cc1)CC2 ZINC000112552054 325791157 /nfs/dbraw/zinc/79/11/57/325791157.db2.gz YRLGHNUVPYNWCK-YOEHRIQHSA-N 0 3 373.476 2.192 10 0 FEAEHN COCc1ccccc1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000114415250 325891080 /nfs/dbraw/zinc/89/10/80/325891080.db2.gz JTCDAPKBBWATKY-UHFFFAOYSA-N 0 3 368.481 2.252 10 0 FEAEHN Cc1nc(C(=O)N2CCO[C@H](CN(C)C)C2)nn1-c1ccccc1C(C)C ZINC000116787463 326035309 /nfs/dbraw/zinc/03/53/09/326035309.db2.gz VUBGMCQWZLAALG-MRXNPFEDSA-N 0 3 371.485 2.102 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)CCc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000116790854 326035824 /nfs/dbraw/zinc/03/58/24/326035824.db2.gz IMMNDLCBISRQLQ-HNNXBMFYSA-N 0 3 360.376 2.307 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccsc2)CCO1 ZINC000116795884 326036368 /nfs/dbraw/zinc/03/63/68/326036368.db2.gz JIGHIJCCNVXOGG-HNNXBMFYSA-N 0 3 373.478 2.403 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NCCSc2ccc(Cl)cc2)CCO1 ZINC000117027120 326047661 /nfs/dbraw/zinc/04/76/61/326047661.db2.gz BDNZYPHOZICIAC-AWEZNQCLSA-N 0 3 357.907 2.404 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)N[C@H]2CCSc3ccc(F)cc32)CCO1 ZINC000117028188 326047921 /nfs/dbraw/zinc/04/79/21/326047921.db2.gz IFCNGOPGUIUDBL-ZFWWWQNUSA-N 0 3 353.463 2.335 10 0 FEAEHN COc1ccc([C@@H](CNC(=O)NCCn2cc(C)cn2)N2CCCC2)cc1 ZINC000118051344 326078080 /nfs/dbraw/zinc/07/80/80/326078080.db2.gz VAKVBZVQPUWCJA-LJQANCHMSA-N 0 3 371.485 2.336 10 0 FEAEHN Cc1c(NC(=O)N2CCO[C@@H](CN(C)C)C2)cccc1C(=O)N1CCCC1 ZINC000118814717 326104276 /nfs/dbraw/zinc/10/42/76/326104276.db2.gz LUZZWFWQIFNVBW-INIZCTEOSA-N 0 3 374.485 2.025 10 0 FEAEHN C[C@H](NC(=O)C[C@@H](N)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000119255308 326142068 /nfs/dbraw/zinc/14/20/68/326142068.db2.gz GGOLPKFSRODEOM-BLLLJJGKSA-N 0 3 364.442 2.497 10 0 FEAEHN C[C@H](NC(=O)C[C@H](N)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000119255084 326142223 /nfs/dbraw/zinc/14/22/23/326142223.db2.gz GGOLPKFSRODEOM-LRDDRELGSA-N 0 3 364.442 2.497 10 0 FEAEHN Cc1nc(CCCC(=O)NC[C@H](O)CN2CCc3ccccc3C2)cs1 ZINC000119811952 326200938 /nfs/dbraw/zinc/20/09/38/326200938.db2.gz WOIBLYWKDXXIFK-IBGZPJMESA-N 0 3 373.522 2.310 10 0 FEAEHN CC(C)N1CCO[C@H](CN2CCN(CC3=Cc4ccccc4OC3)CC2)C1 ZINC000121049512 326309596 /nfs/dbraw/zinc/30/95/96/326309596.db2.gz AXQBHDXFVLXMGW-OAQYLSRUSA-N 0 3 371.525 2.189 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000121854586 326371803 /nfs/dbraw/zinc/37/18/03/326371803.db2.gz JVBAHLDMTRJXIZ-KRWDZBQOSA-N 0 3 374.485 2.066 10 0 FEAEHN O=C(N[C@H]1CCCC[C@@H]1CO)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000121910728 326375302 /nfs/dbraw/zinc/37/53/02/326375302.db2.gz XKDJOBSEZOVIQG-UXHICEINSA-N 0 3 360.498 2.172 10 0 FEAEHN COCOc1ccc(OC)cc1CN[C@@H]1CCCN(c2cccnn2)C1 ZINC000122315073 326392215 /nfs/dbraw/zinc/39/22/15/326392215.db2.gz XDPPZIKGXGNRDL-MRXNPFEDSA-N 0 3 358.442 2.227 10 0 FEAEHN CC[C@H](O)CN1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000123503607 326434106 /nfs/dbraw/zinc/43/41/06/326434106.db2.gz OIUCQYMFTVRJPL-AWEZNQCLSA-N 0 3 350.413 2.243 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)cc2)CCO1 ZINC000128706306 326528556 /nfs/dbraw/zinc/52/85/56/326528556.db2.gz ACNFKDMZSOMFTA-AWEZNQCLSA-N 0 3 361.364 2.422 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000152472658 326708292 /nfs/dbraw/zinc/70/82/92/326708292.db2.gz BKNXUSIYNPIYHH-SNVBAGLBSA-N 0 3 374.666 2.204 10 0 FEAEHN C[C@@H](NC(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1-n1cccn1 ZINC000154573792 326763668 /nfs/dbraw/zinc/76/36/68/326763668.db2.gz DDZQRYSWFASQLB-IAGOWNOFSA-N 0 3 371.485 2.079 10 0 FEAEHN CN(C)C[C@@H]1CN(CC(=O)Nc2ccc(SC(F)F)cc2)CCO1 ZINC000155322917 326784564 /nfs/dbraw/zinc/78/45/64/326784564.db2.gz WLYQPBAZQZSJDP-CYBMUJFWSA-N 0 3 359.442 2.202 10 0 FEAEHN C[C@H](CC(=O)N[C@H](CN)C1CCCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000155624388 326796762 /nfs/dbraw/zinc/79/67/62/326796762.db2.gz NSWULUUFTGGBQK-CXAGYDPISA-N 0 3 370.490 2.402 10 0 FEAEHN Cc1cc(NC(=O)CCN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)no1 ZINC000163378314 327049819 /nfs/dbraw/zinc/04/98/19/327049819.db2.gz RWOUUNYUGYRWIB-LBPRGKRZSA-N 0 3 351.428 2.066 10 0 FEAEHN CCC[C@H](NC(=O)Nc1ccn(CCN(C)C)n1)C(=O)OC(C)(C)C ZINC000163609624 327055205 /nfs/dbraw/zinc/05/52/05/327055205.db2.gz MYBDJVAMANUZSS-ZDUSSCGKSA-N 0 3 353.467 2.077 10 0 FEAEHN COC(=O)[C@@H]1CCCN(C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000170791574 327099258 /nfs/dbraw/zinc/09/92/58/327099258.db2.gz GCWQHZQVYVYAJZ-QGZVFWFLSA-N 0 3 359.470 2.246 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)C1 ZINC000170832966 327101373 /nfs/dbraw/zinc/10/13/73/327101373.db2.gz SOZJOYYSXBRTGN-GOSISDBHSA-N 0 3 367.453 2.179 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc4ccccc43)C2)C1 ZINC000170858301 327102908 /nfs/dbraw/zinc/10/29/08/327102908.db2.gz MZVUOYWRBKUTAV-DLBZAZTESA-N 0 3 351.450 2.355 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C1 ZINC000170859871 327103200 /nfs/dbraw/zinc/10/32/00/327103200.db2.gz JAXNJBOTKHPUKX-WBVHZDCISA-N 0 3 363.889 2.355 10 0 FEAEHN CC(C)COC[C@H](NC(=O)NC[C@H](O)CN1CCCCC1)c1ccco1 ZINC000171219176 327125521 /nfs/dbraw/zinc/12/55/21/327125521.db2.gz AQKOREVHTZVYFD-IRXDYDNUSA-N 0 3 367.490 2.139 10 0 FEAEHN O=C(Nc1cccc(C(=O)N2CCSCC2)c1)N1CCN2CCC[C@H]2C1 ZINC000171892216 327167740 /nfs/dbraw/zinc/16/77/40/327167740.db2.gz JLHIMALWSWYEBW-KRWDZBQOSA-N 0 3 374.510 2.188 10 0 FEAEHN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N1CCN2CCC[C@H]2C1 ZINC000171902892 327169120 /nfs/dbraw/zinc/16/91/20/327169120.db2.gz KKQBZLSHSLFHDG-IBGZPJMESA-N 0 3 360.477 2.280 10 0 FEAEHN O=C1c2ccccc2C(=O)N1C[C@H](O)CN1CCC[C@@]2(CC=CCC2)C1 ZINC000172282051 327192350 /nfs/dbraw/zinc/19/23/50/327192350.db2.gz UHPBZBWWSGYRHY-IERDGZPVSA-N 0 3 354.450 2.466 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2ccc(N(C)c3ccccc3)nc2)CCO1 ZINC000172307313 327194585 /nfs/dbraw/zinc/19/45/85/327194585.db2.gz CAMNGTFEPKZXHM-SFHVURJKSA-N 0 3 354.454 2.252 10 0 FEAEHN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCN(CC2CCOCC2)CC1 ZINC000172425634 327201219 /nfs/dbraw/zinc/20/12/19/327201219.db2.gz RBSPAZQTMAAQSA-ZWKOTPCHSA-N 0 3 359.514 2.297 10 0 FEAEHN Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)C)c(OCCN(C)C)c1 ZINC000173476631 327260242 /nfs/dbraw/zinc/26/02/42/327260242.db2.gz WEDDKQWRQKTUHJ-MRXNPFEDSA-N 0 3 362.474 2.020 10 0 FEAEHN COc1cccc(-c2noc([C@H](C)NC(=O)N3CC[C@@H](N(C)C)C3)n2)c1 ZINC000173520367 327263331 /nfs/dbraw/zinc/26/33/31/327263331.db2.gz TUQHXFXFAXEMLK-GXTWGEPZSA-N 0 3 359.430 2.152 10 0 FEAEHN C[C@]1(C(=O)N2CCN3CCC[C@@H]3C2)CCCN(C(=O)c2ccccc2)C1 ZINC000173575289 327268035 /nfs/dbraw/zinc/26/80/35/327268035.db2.gz GOPUOGLOPQVNEW-NQIIRXRSSA-N 0 3 355.482 2.236 10 0 FEAEHN C[C@H](NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000173580424 327268397 /nfs/dbraw/zinc/26/83/97/327268397.db2.gz WVSNIGODKLBQGB-YCPHGPKFSA-N 0 3 367.515 2.275 10 0 FEAEHN CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173977906 327299396 /nfs/dbraw/zinc/29/93/96/327299396.db2.gz NDTMXYRYXDTEHZ-HNNXBMFYSA-N 0 3 357.454 2.041 10 0 FEAEHN CNc1cc(N2CCC[C@H]2CN[C@@H](C)C(=O)Nc2ccccc2)ncn1 ZINC000174286389 327317451 /nfs/dbraw/zinc/31/74/51/327317451.db2.gz XMEGRPHVZLHPOF-HOCLYGCPSA-N 0 3 354.458 2.104 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000175333398 327387519 /nfs/dbraw/zinc/38/75/19/327387519.db2.gz SADSELVUEFGLRR-MRXNPFEDSA-N 0 3 358.486 2.168 10 0 FEAEHN Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000176603446 327465589 /nfs/dbraw/zinc/46/55/89/327465589.db2.gz QOYWBANORJWTTO-KRWDZBQOSA-N 0 3 356.474 2.195 10 0 FEAEHN CC[C@H](CNC(=O)NC[C@@H](O)CN1CCCCC1)Oc1ccccc1C ZINC000176905387 327483529 /nfs/dbraw/zinc/48/35/29/327483529.db2.gz AQVMPICWGDUCJU-QZTJIDSGSA-N 0 3 363.502 2.298 10 0 FEAEHN CN(C)C[C@H]1CN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CCO1 ZINC000246344119 328609969 /nfs/dbraw/zinc/60/99/69/328609969.db2.gz MCMXARBMLGDSBT-MSOLQXFVSA-N 0 3 367.493 2.418 10 0 FEAEHN Cc1noc(CSc2ccc(-c3nc([C@@H]4CNCCN4C)no3)cc2)n1 ZINC000263267150 328929340 /nfs/dbraw/zinc/92/93/40/328929340.db2.gz RRKSOOKMDGSVOG-AWEZNQCLSA-N 0 3 372.454 2.296 10 0 FEAEHN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@H](N)C3CCOCC3)cc2)n1 ZINC000261713929 518186998 /nfs/dbraw/zinc/18/69/98/518186998.db2.gz IXGGNXOOOYFWIS-HNAYVOBHSA-N 0 3 356.470 2.420 10 0 FEAEHN CN(C)C[C@H]1CN(CC(=O)Nc2nc(-c3cccs3)cs2)CCO1 ZINC000155352588 545515906 /nfs/dbraw/zinc/51/59/06/545515906.db2.gz IKYIANAQDCVOFG-LBPRGKRZSA-N 0 3 366.512 2.073 10 0 FEAEHN C[C@H](C(=O)Nc1ccccc1Br)N1CCO[C@H](CN(C)C)C1 ZINC000155356261 545516354 /nfs/dbraw/zinc/51/63/54/545516354.db2.gz BWQUKAREVOBGIZ-CHWSQXEVSA-N 0 3 370.291 2.039 10 0 FEAEHN CCn1cnnc1C1CCN(C[C@@H](O)COCc2ccccc2F)CC1 ZINC000155401721 545522579 /nfs/dbraw/zinc/52/25/79/545522579.db2.gz MLSOUHDLEPDWGY-QGZVFWFLSA-N 0 3 362.449 2.194 10 0 FEAEHN CC(C)(C)OC(=O)N[C@@H]1CCN(C[C@@H](O)COCc2ccccc2)C1 ZINC000157079971 545698164 /nfs/dbraw/zinc/69/81/64/545698164.db2.gz XCVLNBPHZVVWBY-IAGOWNOFSA-N 0 3 350.459 2.163 10 0 FEAEHN CN(C)C[C@@H]1CN(CCc2nc(-c3ccc(Cl)cc3)no2)CCO1 ZINC000158007212 545811360 /nfs/dbraw/zinc/81/13/60/545811360.db2.gz GCRYKHLFEACJJG-OAHLLOKOSA-N 0 3 350.850 2.195 10 0 FEAEHN OC[C@@H]1CCCN1c1cc(NCCc2nc3ccc(F)cc3[nH]2)ncn1 ZINC000158991026 545913003 /nfs/dbraw/zinc/91/30/03/545913003.db2.gz IUNCCAWFGPPEFO-ZDUSSCGKSA-N 0 3 356.405 2.108 10 0 FEAEHN Cc1ccc(OCC(=O)NC[C@H](O)CN2CCc3ccccc3C2)c(C)c1 ZINC000159251013 545936409 /nfs/dbraw/zinc/93/64/09/545936409.db2.gz QAAMZVZJLWUPTA-FQEVSTJZSA-N 0 3 368.477 2.218 10 0 FEAEHN COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000170737621 546174545 /nfs/dbraw/zinc/17/45/45/546174545.db2.gz KSUOGMPVUDOGHR-IAGOWNOFSA-N 0 3 362.445 2.449 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000170855203 546179236 /nfs/dbraw/zinc/17/92/36/546179236.db2.gz KSLZGRAMWLIELV-YVEFUNNKSA-N 0 3 365.886 2.431 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccccc1SCC(N)=O ZINC000176295151 546428634 /nfs/dbraw/zinc/42/86/34/546428634.db2.gz DWXZTILJSPVUSL-ZDUSSCGKSA-N 0 3 350.488 2.212 10 0 FEAEHN CC(=O)Nc1cccc2c1CCN(C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C)C2 ZINC000176842950 546495199 /nfs/dbraw/zinc/49/51/99/546495199.db2.gz FISAJXJMAAOWOK-LIRRHRJNSA-N 0 3 358.486 2.441 10 0 FEAEHN CCOc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2CC)cc1F ZINC000176891052 546501939 /nfs/dbraw/zinc/50/19/39/546501939.db2.gz ARGSEZMNJLRRBJ-AWEZNQCLSA-N 0 3 351.422 2.106 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc(OC(F)F)c1 ZINC000176895699 546503287 /nfs/dbraw/zinc/50/32/87/546503287.db2.gz DBDJGINAVBEHDP-CYBMUJFWSA-N 0 3 355.385 2.169 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000176972861 546517310 /nfs/dbraw/zinc/51/73/10/546517310.db2.gz FGWISNTVNHTMPA-RTBURBONSA-N 0 3 363.477 2.142 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CNC(=O)NCc1ccc(Cl)cc1 ZINC000176992402 546519143 /nfs/dbraw/zinc/51/91/43/546519143.db2.gz MTNAZTOZTUNUTP-MRXNPFEDSA-N 0 3 366.893 2.082 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)CCCNC(=O)NC1CCCCC1 ZINC000176997615 546520997 /nfs/dbraw/zinc/52/09/97/546520997.db2.gz VVIFGPILVPAFEG-KRWDZBQOSA-N 0 3 352.523 2.341 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000177304080 546590867 /nfs/dbraw/zinc/59/08/67/546590867.db2.gz DWHHJNHFTQSLCD-MAUKXSAKSA-N 0 3 356.474 2.454 10 0 FEAEHN Cc1c(Cl)cc(NC(=O)C(=O)N2CCO[C@@H](CN(C)C)C2)cc1Cl ZINC000177678896 546664850 /nfs/dbraw/zinc/66/48/50/546664850.db2.gz ZPPMMNBGRVULBE-LBPRGKRZSA-N 0 3 374.268 2.029 10 0 FEAEHN CCCCOc1ccc(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)c(C)c1 ZINC000177695873 546669191 /nfs/dbraw/zinc/66/91/91/546669191.db2.gz GPDOIMXDPURPDW-MRXNPFEDSA-N 0 3 359.470 2.419 10 0 FEAEHN Cc1ccc(-c2nc(SCC(=O)N3CCN4CCC[C@@H]4C3)n[nH]2)cc1 ZINC000178113605 546741242 /nfs/dbraw/zinc/74/12/42/546741242.db2.gz PXJGHFHZMZRJCS-OAHLLOKOSA-N 0 3 357.483 2.179 10 0 FEAEHN COc1ccc([C@H](C)CN2CCN(c3cc(C)nc4ncnn43)CC2)cc1 ZINC000179684414 546997801 /nfs/dbraw/zinc/99/78/01/546997801.db2.gz AKSHDUTXKIJJJB-OAHLLOKOSA-N 0 3 366.469 2.367 10 0 FEAEHN CC[C@H](c1ccncc1)N(C)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000179705749 547001893 /nfs/dbraw/zinc/00/18/93/547001893.db2.gz LJVXSDYGTCMGJI-MAUKXSAKSA-N 0 3 353.422 2.122 10 0 FEAEHN COc1ccc(-c2n[nH]cc2CN2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000180236034 547071161 /nfs/dbraw/zinc/07/11/61/547071161.db2.gz UBANOJZKNGCPTN-KXBFYZLASA-N 0 3 356.470 2.238 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000181061667 547241791 /nfs/dbraw/zinc/24/17/91/547241791.db2.gz MWWJLJBPYRPMNM-WMZOPIPTSA-N 0 3 356.474 2.145 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC(CCCN3CCOCC3)CC2)C1 ZINC000181429859 547314383 /nfs/dbraw/zinc/31/43/83/547314383.db2.gz BBXTUEUYBSYKIG-IBGZPJMESA-N 0 3 366.550 2.005 10 0 FEAEHN CCOC(=O)[C@@H](CC(C)C)N(C)C1CCN(CCn2cccn2)CC1 ZINC000182141037 547443981 /nfs/dbraw/zinc/44/39/81/547443981.db2.gz CAUFWYYASBYFEZ-GOSISDBHSA-N 0 3 350.507 2.257 10 0 FEAEHN Cc1ccc(NC(=O)c2nnc(CN3CCN4CCC[C@@H]4C3)s2)cc1 ZINC000182454285 547496276 /nfs/dbraw/zinc/49/62/76/547496276.db2.gz BOOIMHUYMDHPPB-OAHLLOKOSA-N 0 3 357.483 2.379 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cccnc1N1CCOCC1 ZINC000182532240 547510019 /nfs/dbraw/zinc/51/00/19/547510019.db2.gz KWWBATJCTRPDDD-KRWDZBQOSA-N 0 3 368.481 2.169 10 0 FEAEHN COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCO[C@H](CN(C)C)C1 ZINC000183592538 547686485 /nfs/dbraw/zinc/68/64/85/547686485.db2.gz XNIUHRFSDXXOHS-ABAIWWIYSA-N 0 3 361.269 2.470 10 0 FEAEHN Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000185070126 547926788 /nfs/dbraw/zinc/92/67/88/547926788.db2.gz LKGMCWAOINAGSD-OAHLLOKOSA-N 0 3 370.478 2.364 10 0 FEAEHN CSc1c(F)cc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1F ZINC000185094688 547931749 /nfs/dbraw/zinc/93/17/49/547931749.db2.gz BTVXWINWDFDUOS-YGRLFVJLSA-N 0 3 371.453 2.470 10 0 FEAEHN CCOc1ccc(NC(=O)N2CCO[C@@H](CN(C)C)C2)c2ncccc12 ZINC000186036259 548075539 /nfs/dbraw/zinc/07/55/39/548075539.db2.gz YTKYQKHCJCPMCK-AWEZNQCLSA-N 0 3 358.442 2.428 10 0 FEAEHN CCO[C@@H]1C[C@H](N[C@@H](Cc2ccccc2)C(=O)N(C)C)C12CCOCC2 ZINC000186331012 548121255 /nfs/dbraw/zinc/12/12/55/548121255.db2.gz PQDRWAFYUXOUSI-GBESFXJTSA-N 0 3 360.498 2.250 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC000190636832 548331476 /nfs/dbraw/zinc/33/14/76/548331476.db2.gz UALIKRJLTYQBGJ-MRXNPFEDSA-N 0 3 366.465 2.241 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000194162843 548443104 /nfs/dbraw/zinc/44/31/04/548443104.db2.gz KEOYMBGOTGNUPF-CHWSQXEVSA-N 0 3 370.375 2.124 10 0 FEAEHN CC(C)(C)OC(=O)N1CC[C@@](C)(CN2CC[C@H](N3CCOCC3)C2)C1 ZINC000195163332 548587383 /nfs/dbraw/zinc/58/73/83/548587383.db2.gz UFFQPZZWANSLOD-LPHOPBHVSA-N 0 3 353.507 2.040 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000245476231 548931308 /nfs/dbraw/zinc/93/13/08/548931308.db2.gz SRJNLRJSBBVJJW-HZPDHXFCSA-N 0 3 363.502 2.297 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000245632513 548961374 /nfs/dbraw/zinc/96/13/74/548961374.db2.gz IIDTXLLQNFTCTQ-UEILYKACSA-N 0 3 359.445 2.040 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)NCC[S@](=O)Cc1ccccc1 ZINC000245672398 548971731 /nfs/dbraw/zinc/97/17/31/548971731.db2.gz FMSPNBGESVMLNA-UZEJHQAJSA-N 0 3 363.527 2.204 10 0 FEAEHN O=C(NC[C@@H](O)CN1CCCCC1)[C@H]1CCCCN1Cc1ccccc1 ZINC000246172411 549068810 /nfs/dbraw/zinc/06/88/10/549068810.db2.gz FGDVKZMMLPCBJY-WOJBJXKFSA-N 0 3 359.514 2.004 10 0 FEAEHN C[C@H](C(=O)Nc1ccccc1Br)N1CCO[C@@H](CN(C)C)C1 ZINC000246226582 549083188 /nfs/dbraw/zinc/08/31/88/549083188.db2.gz BWQUKAREVOBGIZ-OLZOCXBDSA-N 0 3 370.291 2.039 10 0 FEAEHN CNC(=O)[C@H](NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)C(C)C ZINC000246260132 549091521 /nfs/dbraw/zinc/09/15/21/549091521.db2.gz WZHOWGVIVQNRNI-SJLPKXTDSA-N 0 3 360.502 2.063 10 0 FEAEHN CCS(=O)(=O)c1ccc(NC(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000246266510 549092665 /nfs/dbraw/zinc/09/26/65/549092665.db2.gz ABZAIQAVEMPFAD-CJNGLKHVSA-N 0 3 353.488 2.330 10 0 FEAEHN CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000246312219 549102007 /nfs/dbraw/zinc/10/20/07/549102007.db2.gz DWCRLCVRNAQDHC-CZUORRHYSA-N 0 3 365.449 2.396 10 0 FEAEHN CC(C)OCc1cccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000246331089 549107819 /nfs/dbraw/zinc/10/78/19/549107819.db2.gz GEVLBLWFNRSFES-MAUKXSAKSA-N 0 3 361.486 2.395 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000246494069 549146785 /nfs/dbraw/zinc/14/67/85/549146785.db2.gz ROXTXBZOAIJADT-SMDDNHRTSA-N 0 3 357.376 2.489 10 0 FEAEHN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCn3ncnc32)CN1Cc1ccccc1 ZINC000246508245 549149161 /nfs/dbraw/zinc/14/91/61/549149161.db2.gz JNMLLBLYFFFWJW-PVAVHDDUSA-N 0 3 354.458 2.075 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000246518920 549152585 /nfs/dbraw/zinc/15/25/85/549152585.db2.gz UBFLBCNEUXJMTN-SMDDNHRTSA-N 0 3 373.375 2.369 10 0 FEAEHN O=C(CN1CCN2CCC[C@H]2C1)Nc1ccnn1Cc1ccccc1Cl ZINC000246754294 549203813 /nfs/dbraw/zinc/20/38/13/549203813.db2.gz XRYFUBCVOLSTHW-INIZCTEOSA-N 0 3 373.888 2.303 10 0 FEAEHN CCCCCNC(=O)C1CCN(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)CC1 ZINC000246827843 549223850 /nfs/dbraw/zinc/22/38/50/549223850.db2.gz DRNGLYIPQNVWEB-SJLPKXTDSA-N 0 3 366.550 2.443 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000247020921 549266817 /nfs/dbraw/zinc/26/68/17/549266817.db2.gz PDRSZWNOLNWXSG-KGLIPLIRSA-N 0 3 369.462 2.031 10 0 FEAEHN CC[C@H]1CN(C[C@@H](O)COc2ccc(C)cc2C)CCN1CCOC ZINC000247583472 549361993 /nfs/dbraw/zinc/36/19/93/549361993.db2.gz ISFJPIBWGWIYBE-RBUKOAKNSA-N 0 3 350.503 2.086 10 0 FEAEHN C[C@H](O)CN1CCN(CCC(=O)Nc2ccc(Cl)cc2F)C[C@@H]1C ZINC000247581133 549362997 /nfs/dbraw/zinc/36/29/97/549362997.db2.gz ILKHPKJDVOLKJK-STQMWFEESA-N 0 3 357.857 2.195 10 0 FEAEHN CC[C@@H]1CN(Cc2ccn(-c3ccc(F)cc3F)n2)CCN1C[C@H](C)O ZINC000249013919 549538935 /nfs/dbraw/zinc/53/89/35/549538935.db2.gz JVMHHBNFQIFEHA-WMLDXEAASA-N 0 3 364.440 2.428 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)C1 ZINC000249109583 549553847 /nfs/dbraw/zinc/55/38/47/549553847.db2.gz MICDYGKWXVPWOO-KCQAQPDRSA-N 0 3 351.413 2.254 10 0 FEAEHN CCOCc1cccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2CC)c1 ZINC000249111453 549554568 /nfs/dbraw/zinc/55/45/68/549554568.db2.gz AQXHDVBIFUNNGH-ROUUACIJSA-N 0 3 359.470 2.247 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc2cnccc21 ZINC000249226381 549570505 /nfs/dbraw/zinc/57/05/05/549570505.db2.gz UZQKAXQHDGEWIE-CVEARBPZSA-N 0 3 352.438 2.259 10 0 FEAEHN COCCO[C@@H]1CCCN(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)C1 ZINC000249460511 549594170 /nfs/dbraw/zinc/59/41/70/549594170.db2.gz ZHTISEFTTDULEI-PKOBYXMFSA-N 0 3 363.502 2.344 10 0 FEAEHN C[C@H](O)CN1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C[C@H]1C ZINC000249538283 549602857 /nfs/dbraw/zinc/60/28/57/549602857.db2.gz DCPKDGDNDRYPKC-MNOVXSKESA-N 0 3 368.890 2.319 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC000249635586 549613445 /nfs/dbraw/zinc/61/34/45/549613445.db2.gz RYSFDGDXDBKYSX-MOPGFXCFSA-N 0 3 372.513 2.222 10 0 FEAEHN C[C@@H]1CN2CCCC[C@H]2CN1c1ncc(I)cn1 ZINC000252896934 549679480 /nfs/dbraw/zinc/67/94/80/549679480.db2.gz CIRRSLAAMJYOLE-PWSUYJOCSA-N 0 3 358.227 2.144 10 0 FEAEHN COc1ccc(NC(=O)c2ccc(NC(=O)C3(N)CCOCC3)cc2)cc1 ZINC000261668455 549740673 /nfs/dbraw/zinc/74/06/73/549740673.db2.gz BSHYQNZQRAMGAW-UHFFFAOYSA-N 0 3 369.421 2.394 10 0 FEAEHN c1cn(CCc2ccccc2)c(CN[C@@H]2CCC[C@H]2[C@@H]2COCCN2)n1 ZINC000261962986 549774672 /nfs/dbraw/zinc/77/46/72/549774672.db2.gz PUMWIMMYGDNGDI-AQNXPRMDSA-N 0 3 354.498 2.373 10 0 FEAEHN Cc1cccc(-c2c[nH]c([C@H]3CCCN3CCC(=O)N3CCNCC3)n2)c1 ZINC000262228167 549800700 /nfs/dbraw/zinc/80/07/00/549800700.db2.gz VCLJAVXHICDCHE-LJQANCHMSA-N 0 3 367.497 2.344 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000262707279 549841533 /nfs/dbraw/zinc/84/15/33/549841533.db2.gz NHHUDIOXCJXNSV-QMTMVMCOSA-N 0 3 360.502 2.494 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(C2CCN(c3nc4ccccc4o3)CC2)n1 ZINC000263143977 549881330 /nfs/dbraw/zinc/88/13/30/549881330.db2.gz CNCKHAKFRJTSJF-OAHLLOKOSA-N 0 3 368.441 2.171 10 0 FEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@@H]2C[C@H](C)CN(Cc3ccccc3)C2)C1 ZINC000263468661 549903687 /nfs/dbraw/zinc/90/36/87/549903687.db2.gz DCKOIGYKTAVWDG-OXHPOLQJSA-N 0 3 359.514 2.424 10 0 FEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@@H]2C[C@H](C)CN(Cc3ccccc3)C2)C1 ZINC000263468661 549903690 /nfs/dbraw/zinc/90/36/90/549903690.db2.gz DCKOIGYKTAVWDG-OXHPOLQJSA-N 0 3 359.514 2.424 10 0 FEAEHN C[C@H](NC[C@H](C)N(C)C(=O)OC(C)(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000283464567 551370600 /nfs/dbraw/zinc/37/06/00/551370600.db2.gz VUCMAPJIPZURBR-STQMWFEESA-N 0 3 371.503 2.240 10 0 FEAEHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1cc(N2CCC[C@@H]2CO)ncn1 ZINC000302189219 553709594 /nfs/dbraw/zinc/70/95/94/553709594.db2.gz XRHGUBRRZFBYPL-BHIYHBOVSA-N 0 3 367.497 2.370 10 0 FEAEHN COc1cc2c(c(CNC[C@@H]3CCc4c(C(N)=O)cnn4C3)c1)O[C@H](C)C2 ZINC000328627092 553798446 /nfs/dbraw/zinc/79/84/46/553798446.db2.gz FVEOKXGIFSRGQR-OLZOCXBDSA-N 0 3 370.453 2.451 10 0 FEAEHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)/C=C/c1ccn(C)c1 ZINC000365176491 555502312 /nfs/dbraw/zinc/50/23/12/555502312.db2.gz MALBXOBLEWWBKF-SHBDEGQCSA-N 0 3 353.466 2.134 10 0 FEAEHN C[C@@H](NCCNS(=O)(=O)c1cnn(C)c1)c1ccc2ccccc2c1 ZINC000181498251 672427333 /nfs/dbraw/zinc/42/73/33/672427333.db2.gz UZRRLFUNBDBVPE-CQSZACIVSA-N 0 3 358.467 2.202 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)C1 ZINC000246869830 672843541 /nfs/dbraw/zinc/84/35/41/672843541.db2.gz KYUHQIWJTMBBGF-LSDHHAIUSA-N 0 3 354.495 2.073 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)C2=Cc3ccccc3OCC2)C1 ZINC000248471678 672857306 /nfs/dbraw/zinc/85/73/06/672857306.db2.gz IZEKZIXNFPLEFI-RHSMWYFYSA-N 0 3 350.484 2.458 10 0 FEAEHN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNCc2ccc(F)c(F)c2F)C1 ZINC000702760528 673058267 /nfs/dbraw/zinc/05/82/67/673058267.db2.gz CZCNMHBWKPMIHY-AAEUAGOBSA-N 0 3 360.376 2.421 10 0 FEAEHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)/C=C\c1ccccc1 ZINC000750857248 680136305 /nfs/dbraw/zinc/13/63/05/680136305.db2.gz ZLQXNILTQVLGEV-UIRWJGRMSA-N 0 3 365.543 2.335 10 0 FEAEHN O=C1N(CO)CN(c2ccccc2)C12CCN(Cc1ccccc1)CC2 ZINC000002004479 210227795 /nfs/dbraw/zinc/22/77/95/210227795.db2.gz ASEPNUUZQHNDQR-UHFFFAOYSA-N 0 3 351.450 2.277 10 0 FEAEHN CN(C)C[C@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000007817185 539468320 /nfs/dbraw/zinc/46/83/20/539468320.db2.gz CTHIXUZCQIZBOT-SFHVURJKSA-N 0 3 365.433 2.092 10 0 FEAEHN CN(C)CCNC(=O)c1coc(CN2CCC(Cc3ccccc3)CC2)n1 ZINC000037547410 539997193 /nfs/dbraw/zinc/99/71/93/539997193.db2.gz WEZROJRLFBIPCI-UHFFFAOYSA-N 0 3 370.497 2.421 10 0 FEAEHN CC(C)[C@@H](NC(=O)NC[C@H](O)CN1CCCCC1)c1nc2ccccc2[nH]1 ZINC000043104981 540089257 /nfs/dbraw/zinc/08/92/57/540089257.db2.gz DAJWBWIBHORLNQ-MAUKXSAKSA-N 0 3 373.501 2.406 10 0 FEAEHN Cc1noc(C)c1CS(=O)(=O)C(C)C(=O)N[C@@H](C)c1ccccc1 ZINC000046106779 540242013 /nfs/dbraw/zinc/24/20/13/540242013.db2.gz OBIACCUFMUKWAB-SMDDNHRTSA-N 0 3 350.440 2.472 10 0 FEAEHN CN(CCCCNC(=O)NC[C@H](O)CN1CCCCC1)c1ccccc1 ZINC000054643570 540599743 /nfs/dbraw/zinc/59/97/43/540599743.db2.gz PUYQVSVVXDXXPX-IBGZPJMESA-N 0 3 362.518 2.049 10 0 FEAEHN C[C@H](CNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)CN1CCN(C)CC1 ZINC000073585009 541969696 /nfs/dbraw/zinc/96/96/96/541969696.db2.gz VFFRMLCNVSEHMK-QLFBSQMISA-N 0 3 364.456 2.290 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000073722837 541991047 /nfs/dbraw/zinc/99/10/47/541991047.db2.gz IPEZAMSDBUPUHU-AEFFLSMTSA-N 0 3 360.502 2.410 10 0 FEAEHN C[C@@H](NC(=O)c1ccco1)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000073954832 542018303 /nfs/dbraw/zinc/01/83/03/542018303.db2.gz DNIQUVKRSIGVMX-MRXNPFEDSA-N 0 3 369.465 2.221 10 0 FEAEHN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000247398391 549329287 /nfs/dbraw/zinc/32/92/87/549329287.db2.gz QWQLOFNPEFLYAQ-NZSAHSFTSA-N 0 3 359.514 2.359 10 0 FEAEHN Cc1cc(N2CCN(C3CCN(c4ccccc4C)CC3)CC2)nc(N)n1 ZINC000065493805 221225784 /nfs/dbraw/zinc/22/57/84/221225784.db2.gz IUVKEFMVJKBZIR-UHFFFAOYSA-N 0 3 366.513 2.467 10 0 FEAEHN CN1CCN(C2CCN(c3ccccc3F)CC2)C[C@]12CCNC(=O)CC2 ZINC000091444863 132201764 /nfs/dbraw/zinc/20/17/64/132201764.db2.gz WMYUBOFYPLNQRD-NRFANRHFSA-N 0 3 374.504 2.081 10 0 FEAEHN COCCN1C[C@@H]2CN(c3ncc(F)cn3)CC[C@]2(c2ccccc2)C1 ZINC000096083259 132218582 /nfs/dbraw/zinc/21/85/82/132218582.db2.gz LJVXZDWDZPPALO-YLJYHZDGSA-N 0 3 356.445 2.342 10 0 FEAEHN CN1CCO[C@H](CNCC2=Cc3cc(Br)ccc3OC2)C1 ZINC000105471037 543174432 /nfs/dbraw/zinc/17/44/32/543174432.db2.gz KQMSHPDLUWEJIV-OAHLLOKOSA-N 0 3 353.260 2.145 10 0 FEAEHN CC[C@@H]1CN(CCC(=O)Nc2ccc(C(C)=O)cc2)CCN1CCOC ZINC000106114518 543201950 /nfs/dbraw/zinc/20/19/50/543201950.db2.gz FOFOJVLUNJQTPP-LJQANCHMSA-N 0 3 361.486 2.260 10 0 FEAEHN CCOCCN1CCN(CCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CC ZINC000106118841 543203216 /nfs/dbraw/zinc/20/32/16/543203216.db2.gz NABLSIUYDMOHHO-KRWDZBQOSA-N 0 3 373.497 2.105 10 0 FEAEHN CCOCCN1CCN(CCCN2C(=O)c3ccccc3C2=O)C[C@H]1CC ZINC000106118839 543203628 /nfs/dbraw/zinc/20/36/28/543203628.db2.gz NABLSIUYDMOHHO-QGZVFWFLSA-N 0 3 373.497 2.105 10 0 FEAEHN CCN1CCCC[C@@H]1C(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000109650677 543330999 /nfs/dbraw/zinc/33/09/99/543330999.db2.gz LHSCVXGEXPURLM-QGZVFWFLSA-N 0 3 350.532 2.360 10 0 FEAEHN Cc1ncc(CN2CCN(C(=O)[C@H](C)N3[C@H](C)CC[C@H]3C)CC2)s1 ZINC000247478354 549339983 /nfs/dbraw/zinc/33/99/83/549339983.db2.gz IWNZLFWYGAZYPI-KFWWJZLASA-N 0 3 350.532 2.357 10 0 FEAEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)Nc1ccnn1C ZINC000124757069 543841359 /nfs/dbraw/zinc/84/13/59/543841359.db2.gz ODTPFRNTKJDKJG-SFHVURJKSA-N 0 3 371.485 2.329 10 0 FEAEHN CCn1cnnc1[C@@H]1CCCN(C[C@H](O)COCc2cccc(OC)c2)C1 ZINC000126220444 543924541 /nfs/dbraw/zinc/92/45/41/543924541.db2.gz KSRVIUAWBCEFPP-MSOLQXFVSA-N 0 3 374.485 2.064 10 0 FEAEHN COC(=O)COc1c(C)cc(CN2CCC[C@@H](Cn3cncn3)C2)cc1C ZINC000128607573 544062420 /nfs/dbraw/zinc/06/24/20/544062420.db2.gz SVUYZRMIWJPRJO-QGZVFWFLSA-N 0 3 372.469 2.359 10 0 FEAEHN Cc1nc(CN2CCC[C@]3(C2)CN(C2CCOCC2)CCO3)cs1 ZINC000096226705 222088257 /nfs/dbraw/zinc/08/82/57/222088257.db2.gz ZGGHIEILDRBOAG-SFHVURJKSA-N 0 3 351.516 2.297 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCN([C@@H](C)c3cccnc3)CC2)C1 ZINC000132226394 544223606 /nfs/dbraw/zinc/22/36/06/544223606.db2.gz PGRXBLFOURCIPM-AOIWGVFYSA-N 0 3 359.518 2.199 10 0 FEAEHN COC(=O)c1cc(CN(C)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)oc1C ZINC000132391003 544229690 /nfs/dbraw/zinc/22/96/90/544229690.db2.gz PYUXAHWAXBIMKD-LRDDRELGSA-N 0 3 351.447 2.245 10 0 FEAEHN Cc1noc(C2CC2)c1NC(=O)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000134758542 544320745 /nfs/dbraw/zinc/32/07/45/544320745.db2.gz RYNANMVBESMCGP-ZDUSSCGKSA-N 0 3 370.453 2.436 10 0 FEAEHN C[C@H](NC(=O)N1CCN2CCC[C@H]2C1)c1ccc(N2CCOC2=O)cc1 ZINC000247510185 549347825 /nfs/dbraw/zinc/34/78/25/549347825.db2.gz PIJCWIKMWJVGRQ-YOEHRIQHSA-N 0 3 358.442 2.194 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccccc2N2CCCCC2)[C@@H](C)C1 ZINC000150797686 544472506 /nfs/dbraw/zinc/47/25/06/544472506.db2.gz MFWRPXXTMOUOJM-WMZOPIPTSA-N 0 3 372.513 2.460 10 0 FEAEHN CC(C)N1CCO[C@@H](CN2CCN(CCc3ccc(F)c(F)c3)CC2)C1 ZINC000152050928 544610265 /nfs/dbraw/zinc/61/02/65/544610265.db2.gz MGIQPFKJZICFKT-SFHVURJKSA-N 0 3 367.484 2.234 10 0 FEAEHN Cc1cccc([C@H](NC(=O)N2CCO[C@@H](CN(C)C)C2)c2ccccn2)c1 ZINC000153082509 544730728 /nfs/dbraw/zinc/73/07/28/544730728.db2.gz WUAZQGLVJURNAS-ICSRJNTNSA-N 0 3 368.481 2.451 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@@H](CO)Cc1ccccc1 ZINC000152722329 544687916 /nfs/dbraw/zinc/68/79/16/544687916.db2.gz RCWCPLJBUOQQSO-GOSISDBHSA-N 0 3 372.513 2.073 10 0 FEAEHN COc1ccc(Cl)cc1NC(=O)CCN1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247536258 549352552 /nfs/dbraw/zinc/35/25/52/549352552.db2.gz CNLVBXFHCNNLDH-KGLIPLIRSA-N 0 3 369.893 2.064 10 0 FEAEHN COc1cccc(COC[C@@H](O)CN2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000155239759 545004898 /nfs/dbraw/zinc/00/48/98/545004898.db2.gz JLGGUQLNNVYLFY-MOPGFXCFSA-N 0 3 359.470 2.415 10 0 FEAEHN CCC[C@@H]1C[C@@H](C(=O)N(C)C2CCN(CCn3cccn3)CC2)CCO1 ZINC000180159577 327673998 /nfs/dbraw/zinc/67/39/98/327673998.db2.gz LUAOMNMMASBTMZ-PKOBYXMFSA-N 0 3 362.518 2.401 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)CC2 ZINC000180642864 327695047 /nfs/dbraw/zinc/69/50/47/327695047.db2.gz OGFUIPJOWDYIEH-HIFRSBDPSA-N 0 3 362.499 2.471 10 0 FEAEHN Cc1ccccc1-n1nccc1NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000182303277 327769610 /nfs/dbraw/zinc/76/96/10/327769610.db2.gz AVCLPROAUSRXBK-MRXNPFEDSA-N 0 3 357.458 2.149 10 0 FEAEHN CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@@H]2COc3ccccc32)CC1 ZINC000183595439 327825673 /nfs/dbraw/zinc/82/56/73/327825673.db2.gz SWQYETIAWBOARU-WMLDXEAASA-N 0 3 360.454 2.290 10 0 FEAEHN Cc1ccc(SC[C@@H](C)NC(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000185944599 327940416 /nfs/dbraw/zinc/94/04/16/327940416.db2.gz VTSDKDHMIHFAJL-HZPDHXFCSA-N 0 3 351.516 2.448 10 0 FEAEHN C[C@@H](NC(C)(C)CNC(=O)N1CC(NC(=O)C2CC2)C1)c1ccccc1 ZINC000187098225 328001852 /nfs/dbraw/zinc/00/18/52/328001852.db2.gz BZMOOMCAZHPXDX-CQSZACIVSA-N 0 3 358.486 2.036 10 0 FEAEHN O=c1[nH]c(CCN2C[C@@H](c3ccsc3)[C@H](CO)C2)nc2ccccc12 ZINC000188079714 328064560 /nfs/dbraw/zinc/06/45/60/328064560.db2.gz WECZGNNLJUZUIP-HOCLYGCPSA-N 0 3 355.463 2.235 10 0 FEAEHN Cc1cc(C)c(N2CC[C@H](NC(=O)N3CC[C@H](N(C)C)C3)C2=O)c(C)c1 ZINC000188520023 328092247 /nfs/dbraw/zinc/09/22/47/328092247.db2.gz JUEKNUJSAZOGHL-IRXDYDNUSA-N 0 3 358.486 2.063 10 0 FEAEHN CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2CCCO[C@@H]2C)CC1 ZINC000188641675 328100915 /nfs/dbraw/zinc/10/09/15/328100915.db2.gz GMZNBQIKIKPFIP-XLIONFOSSA-N 0 3 359.514 2.255 10 0 FEAEHN CCCCOc1ccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2CC)cn1 ZINC000190357751 328202615 /nfs/dbraw/zinc/20/26/15/328202615.db2.gz URRDUPUUIXGTPO-DLBZAZTESA-N 0 3 374.485 2.284 10 0 FEAEHN CN1CCC[C@H]1CNC(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000190397797 328205340 /nfs/dbraw/zinc/20/53/40/328205340.db2.gz TWUTYORXPQSBMJ-HNNXBMFYSA-N 0 3 350.894 2.092 10 0 FEAEHN CC(C)N(C)C(=O)[C@H](C)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190496214 328211373 /nfs/dbraw/zinc/21/13/73/328211373.db2.gz RGKDSIWCPXLGKT-IRXDYDNUSA-N 0 3 369.550 2.370 10 0 FEAEHN CCC(C)(C)NC(=O)CN1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190496406 328211744 /nfs/dbraw/zinc/21/17/44/328211744.db2.gz MVBNUVZQWOFEKZ-MRXNPFEDSA-N 0 3 369.550 2.419 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2c[nH]c(=S)[nH]2)C1 ZINC000190573144 328217052 /nfs/dbraw/zinc/21/70/52/328217052.db2.gz FHLRYJIIZLRDQY-NSHDSACASA-N 0 3 351.501 2.057 10 0 FEAEHN Cc1ccn2ncc(C(=O)N3CC[C@H](CN(C)Cc4cccnc4)C3)c2n1 ZINC000190589721 328218281 /nfs/dbraw/zinc/21/82/81/328218281.db2.gz DJEOLFHVGSWAHS-QGZVFWFLSA-N 0 3 364.453 2.027 10 0 FEAEHN C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190610087 328219483 /nfs/dbraw/zinc/21/94/83/328219483.db2.gz SNNIFSFXOWNDAW-WMZOPIPTSA-N 0 3 374.529 2.303 10 0 FEAEHN CCOC(=O)C1CCC(O)(CN2CCN(CCc3ccccc3)CC2)CC1 ZINC000190795793 328232916 /nfs/dbraw/zinc/23/29/16/328232916.db2.gz IMSQZTWQYKMMHA-UHFFFAOYSA-N 0 3 374.525 2.331 10 0 FEAEHN CCOC(=O)C1CCC(O)(CN2CCCN(CC(F)(F)F)CC2)CC1 ZINC000190814340 328234036 /nfs/dbraw/zinc/23/40/36/328234036.db2.gz RVLYQWZEWYBTDB-UHFFFAOYSA-N 0 3 366.424 2.041 10 0 FEAEHN CC(=O)N1C[C@H](O)C[C@H]1c1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000191686302 328277170 /nfs/dbraw/zinc/27/71/70/328277170.db2.gz XTHLQDDBPADIOE-MSOLQXFVSA-N 0 3 370.453 2.377 10 0 FEAEHN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCO[C@@H](CN(C)C)C1 ZINC000192010212 328293812 /nfs/dbraw/zinc/29/38/12/328293812.db2.gz FPDZLYUODAJONH-WFASDCNBSA-N 0 3 361.269 2.470 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(Cl)c(OC)c1 ZINC000193075576 328355925 /nfs/dbraw/zinc/35/59/25/328355925.db2.gz PRRUQYXAKQUXKC-ZDUSSCGKSA-N 0 3 353.850 2.230 10 0 FEAEHN CCCCOC[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000193363963 328370872 /nfs/dbraw/zinc/37/08/72/328370872.db2.gz BTTFRWBYDPUYSF-INIZCTEOSA-N 0 3 350.459 2.220 10 0 FEAEHN CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccccc1OCCN(C)C)CC2 ZINC000195292750 328468805 /nfs/dbraw/zinc/46/88/05/328468805.db2.gz QZIDPPGLROCTFR-HNNXBMFYSA-N 0 3 371.485 2.087 10 0 FEAEHN C[C@@H](NC[C@H](O)COc1ccccc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000025695196 324421002 /nfs/dbraw/zinc/42/10/02/324421002.db2.gz CGBXFKPUZGBRFT-HIFRSBDPSA-N 0 3 367.442 2.320 10 0 FEAEHN Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)ccc1Br ZINC000228130173 328485038 /nfs/dbraw/zinc/48/50/38/328485038.db2.gz WNSBEATYCXUTIA-RISCZKNCSA-N 0 3 361.305 2.328 10 0 FEAEHN CCC[C@H](N)C(=O)NCCCN1CCN(c2ccccc2Cl)CC1 ZINC000236852422 328496380 /nfs/dbraw/zinc/49/63/80/328496380.db2.gz GYRMCXVOURRMTE-INIZCTEOSA-N 0 3 352.910 2.096 10 0 FEAEHN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000081163577 325161613 /nfs/dbraw/zinc/16/16/13/325161613.db2.gz XYMNHMNSQVUYNG-SFHVURJKSA-N 0 3 368.485 2.385 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC000081592180 325187609 /nfs/dbraw/zinc/18/76/09/325187609.db2.gz WHKBPZHMYUGFMI-HNNXBMFYSA-N 0 3 364.881 2.086 10 0 FEAEHN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1cccc(CN(C)C)c1 ZINC000087035922 325271872 /nfs/dbraw/zinc/27/18/72/325271872.db2.gz ZNRFCJSLXVOUFI-MRXNPFEDSA-N 0 3 356.474 2.236 10 0 FEAEHN C[C@@H](N[C@H]1CCCN(c2cccnn2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000089732658 325329240 /nfs/dbraw/zinc/32/92/40/325329240.db2.gz LVPMUJFZPRZHAC-ZBFHGGJFSA-N 0 3 360.483 2.200 10 0 FEAEHN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N[C@@H]1CCc2ncnn2C1 ZINC000112550130 325790199 /nfs/dbraw/zinc/79/01/99/325790199.db2.gz RRHPBGIXIJGQQJ-VXGBXAGGSA-N 0 3 363.849 2.180 10 0 FEAEHN COc1ccc(NC(=O)[C@@H](C)N[C@@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000112551708 325791080 /nfs/dbraw/zinc/79/10/80/325791080.db2.gz WTMIBWFEQJLPAN-UKRRQHHQSA-N 0 3 357.458 2.342 10 0 FEAEHN Cc1nc(C)c(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)s1 ZINC000114415276 325891037 /nfs/dbraw/zinc/89/10/37/325891037.db2.gz WCOIVPJZUXCDHK-UHFFFAOYSA-N 0 3 359.499 2.179 10 0 FEAEHN Cn1cc([C@H]2CCN(C(=O)NCCCN3CCc4ccccc4C3)C2)cn1 ZINC000116418090 326012511 /nfs/dbraw/zinc/01/25/11/326012511.db2.gz GEIJANQGPYQXFH-IBGZPJMESA-N 0 3 367.497 2.367 10 0 FEAEHN CN(C)CCOc1cccc(CNC(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116421392 326013296 /nfs/dbraw/zinc/01/32/96/326013296.db2.gz GFNWDITYMGUIMX-KRWDZBQOSA-N 0 3 371.485 2.060 10 0 FEAEHN Cc1nc(CN2CCCN(C(=O)NC[C@H]3CCCN(C)C3)CC2)cs1 ZINC000116548644 326022244 /nfs/dbraw/zinc/02/22/44/326022244.db2.gz ORPFBVLOZBUMFA-MRXNPFEDSA-N 0 3 365.547 2.011 10 0 FEAEHN CCOc1ccccc1OCCCC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000116790377 326035714 /nfs/dbraw/zinc/03/57/14/326035714.db2.gz JYCRHKHQDBPZKG-MRXNPFEDSA-N 0 3 350.459 2.033 10 0 FEAEHN COc1ccccc1Nc1ncccc1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000116793808 326035744 /nfs/dbraw/zinc/03/57/44/326035744.db2.gz AAJMHIDYPKQUKU-HNNXBMFYSA-N 0 3 370.453 2.236 10 0 FEAEHN CC(C)N(C)c1ccc(NC(=O)N2CCO[C@H](CN(C)C)C2)cc1F ZINC000118805555 326103689 /nfs/dbraw/zinc/10/36/89/326103689.db2.gz GKQASBDJBLMEFV-OAHLLOKOSA-N 0 3 352.454 2.465 10 0 FEAEHN CC(C)CCS(=O)(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000119502105 326169387 /nfs/dbraw/zinc/16/93/87/326169387.db2.gz XTBZDKJGNLOVRC-IBGZPJMESA-N 0 3 368.543 2.398 10 0 FEAEHN CCO[C@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)c1ccccc1 ZINC000119801510 326199879 /nfs/dbraw/zinc/19/98/79/326199879.db2.gz DULQJMBXGJIAFN-SFTDATJTSA-N 0 3 368.477 2.300 10 0 FEAEHN C[C@H](CNC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)CN1CCN(C)CC1 ZINC000119877106 326207585 /nfs/dbraw/zinc/20/75/85/326207585.db2.gz NVCAPAJBFXYELV-SJLPKXTDSA-N 0 3 374.529 2.472 10 0 FEAEHN CCC[C@H](C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)N(C)C ZINC000120083726 326228750 /nfs/dbraw/zinc/22/87/50/326228750.db2.gz AUWLUQRGHTYYJR-OAHLLOKOSA-N 0 3 369.531 2.110 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)Cc1ccc(Br)cc1 ZINC000120600975 326271599 /nfs/dbraw/zinc/27/15/99/326271599.db2.gz IXUVRDLQMRSNJG-IUODEOHRSA-N 0 3 373.316 2.447 10 0 FEAEHN CC[C@@H]1CN(Cc2cccc(OCCCOC)c2)CCN1C[C@@H](C)O ZINC000120767973 326286767 /nfs/dbraw/zinc/28/67/67/326286767.db2.gz GLXRGGGYKZTRIG-IEBWSBKVSA-N 0 3 350.503 2.379 10 0 FEAEHN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000121220394 326322320 /nfs/dbraw/zinc/32/23/20/326322320.db2.gz WIMCDCCOPKJXDW-CQSZACIVSA-N 0 3 367.877 2.337 10 0 FEAEHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccco1)c1nnc2n1CCCC2 ZINC000121402194 326336071 /nfs/dbraw/zinc/33/60/71/326336071.db2.gz KGEDUZAQKPOVIF-CQSZACIVSA-N 0 3 360.462 2.042 10 0 FEAEHN O=C(N[C@@H]1CCCC[C@@H]1CO)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000121910562 326375319 /nfs/dbraw/zinc/37/53/19/326375319.db2.gz XKDJOBSEZOVIQG-WOJBJXKFSA-N 0 3 360.498 2.172 10 0 FEAEHN Cc1sc(Br)cc1S(=O)(=O)N1C[C@H](C)[C@H](N(C)C)C1 ZINC000124015773 326446441 /nfs/dbraw/zinc/44/64/41/326446441.db2.gz XPVYEKSAFRGCMA-WCBMZHEXSA-N 0 3 367.334 2.390 10 0 FEAEHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000131111171 326568831 /nfs/dbraw/zinc/56/88/31/326568831.db2.gz JFGDNIIRUCLTFS-NSHDSACASA-N 0 3 362.879 2.135 10 0 FEAEHN CCc1nc2n(n1)CCC[C@H]2NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000153508207 326734480 /nfs/dbraw/zinc/73/44/80/326734480.db2.gz ZLPCIIBEUMURIF-OAHLLOKOSA-N 0 3 360.462 2.042 10 0 FEAEHN C[C@@H](NC(=O)NCCN(C)Cc1ccccc1)c1nnc2n1CCCC2 ZINC000163995112 327062578 /nfs/dbraw/zinc/06/25/78/327062578.db2.gz BQYPCCHNSFGQPI-OAHLLOKOSA-N 0 3 356.474 2.107 10 0 FEAEHN CCOC(=O)C(C)(C)n1cc(NC(=O)N(C)C[C@H]2CCCN2CC)cn1 ZINC000164474334 327070656 /nfs/dbraw/zinc/07/06/56/327070656.db2.gz FUQFRYOVMUQTNC-OAHLLOKOSA-N 0 3 365.478 2.129 10 0 FEAEHN Cc1c(NC(=O)C(=O)N2CC[C@H](N(C)C)C2)cccc1OCC(F)(F)F ZINC000170843345 327102098 /nfs/dbraw/zinc/10/20/98/327102098.db2.gz DOSITRLJPGETCA-LBPRGKRZSA-N 0 3 373.375 2.037 10 0 FEAEHN Cc1cccc(C(=O)N2CC[C@@H](N(C)C)C2)c1NC(=O)c1ccncc1 ZINC000170855381 327102711 /nfs/dbraw/zinc/10/27/11/327102711.db2.gz WEXAXXJXLGWPEC-MRXNPFEDSA-N 0 3 352.438 2.418 10 0 FEAEHN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CC[C@H](N(C)C)C3)C2)c1 ZINC000170865258 327103675 /nfs/dbraw/zinc/10/36/75/327103675.db2.gz MQLKYGZQPDSLPB-HKUYNNGSSA-N 0 3 357.498 2.318 10 0 FEAEHN O=C(c1ccc(OCC(F)(F)C(F)F)nc1)N1CCN2CCC[C@@H]2C1 ZINC000171471193 327141572 /nfs/dbraw/zinc/14/15/72/327141572.db2.gz ZJKDRWBEIQSTDQ-GFCCVEGCSA-N 0 3 361.339 2.281 10 0 FEAEHN CC(C)n1ccnc1CS(=O)(=O)C(C)C(=O)NCC1CCCCC1 ZINC000171674483 327154177 /nfs/dbraw/zinc/15/41/77/327154177.db2.gz WAQNSWYFANGBGS-AWEZNQCLSA-N 0 3 355.504 2.464 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)NC(C3CC3)C3CC3)CC2)nc1 ZINC000172067387 327178952 /nfs/dbraw/zinc/17/89/52/327178952.db2.gz ZCSCELSOTLWBLX-UHFFFAOYSA-N 0 3 357.502 2.163 10 0 FEAEHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCC[C@@]2(CC=CCC2)C1 ZINC000172282057 327192464 /nfs/dbraw/zinc/19/24/64/327192464.db2.gz UHPBZBWWSGYRHY-KKSFZXQISA-N 0 3 354.450 2.466 10 0 FEAEHN O=C(NCC1CCN(C(=O)c2ccccc2)CC1)N1CCN2CCC[C@H]2C1 ZINC000172630169 327212680 /nfs/dbraw/zinc/21/26/80/327212680.db2.gz YFIDFQRDGRNJRE-IBGZPJMESA-N 0 3 370.497 2.028 10 0 FEAEHN CCOCCN1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)C[C@H]1CC ZINC000172791773 327219226 /nfs/dbraw/zinc/21/92/26/327219226.db2.gz VRYHFVIZQDBVBW-IEBWSBKVSA-N 0 3 361.486 2.445 10 0 FEAEHN Nc1nc(CN2CCN3CCCC[C@@H]3C2)nc(Nc2ccc(F)cc2)n1 ZINC000172801336 327219903 /nfs/dbraw/zinc/21/99/03/327219903.db2.gz BGDSBHYDWGOJLC-OAHLLOKOSA-N 0 3 357.437 2.007 10 0 FEAEHN CN(C)C[C@@H](NC(=O)CNC(=O)c1cc2ccccc2[nH]1)c1ccccc1 ZINC000173142759 327237505 /nfs/dbraw/zinc/23/75/05/327237505.db2.gz AKHCUZHTRBROHJ-LJQANCHMSA-N 0 3 364.449 2.317 10 0 FEAEHN CC[C@@H](O)CN1CCN(C(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000173163601 327238479 /nfs/dbraw/zinc/23/84/79/327238479.db2.gz WSIZKNRYJWONKQ-OAHLLOKOSA-N 0 3 359.470 2.023 10 0 FEAEHN COCCN1CCC[C@H]1CNC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173173890 327239091 /nfs/dbraw/zinc/23/90/91/327239091.db2.gz PWVZMORYMCWFBG-APWZRJJASA-N 0 3 371.485 2.343 10 0 FEAEHN CCCS(=O)(=O)Nc1cccc(NC(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000173468926 327259414 /nfs/dbraw/zinc/25/94/14/327259414.db2.gz JVAVZJLPNNBLMQ-INIZCTEOSA-N 0 3 366.487 2.150 10 0 FEAEHN CC(C)n1cc(Br)cc1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000173521171 327263440 /nfs/dbraw/zinc/26/34/40/327263440.db2.gz YIEMTGHEXQQIEG-CYBMUJFWSA-N 0 3 358.280 2.234 10 0 FEAEHN CCOCCOc1ccc(S(=O)(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000173887212 327291918 /nfs/dbraw/zinc/29/19/18/327291918.db2.gz MGRVSCSZFCIIGG-YJBOKZPZSA-N 0 3 370.515 2.109 10 0 FEAEHN O=C(CCN1CC[C@@H](N2CCOCC2)C1)Nc1ccc(Cl)cc1F ZINC000173933322 327295478 /nfs/dbraw/zinc/29/54/78/327295478.db2.gz MSYHUTFMIFOJEN-CQSZACIVSA-N 0 3 355.841 2.214 10 0 FEAEHN C[C@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@@H]1N1CCOCC1 ZINC000173961738 327298228 /nfs/dbraw/zinc/29/82/28/327298228.db2.gz SPSIBDQFGYZCMV-PXNSSMCTSA-N 0 3 357.498 2.075 10 0 FEAEHN CC(C)N1CCC(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000174530380 327332923 /nfs/dbraw/zinc/33/29/23/327332923.db2.gz XWZMVFUQUJWUQI-MRXNPFEDSA-N 0 3 350.484 2.142 10 0 FEAEHN COC(=O)c1ccc(NCC2CCN(C[C@@H](O)c3ccccc3)CC2)nn1 ZINC000174739109 327347501 /nfs/dbraw/zinc/34/75/01/327347501.db2.gz SADFUYBFJOYQFR-GOSISDBHSA-N 0 3 370.453 2.121 10 0 FEAEHN O=C(CC1CCOCC1)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000174849805 327354940 /nfs/dbraw/zinc/35/49/40/327354940.db2.gz NHZKFIUSTRSJBU-HXUWFJFHSA-N 0 3 360.498 2.365 10 0 FEAEHN CC(C)N1CCC[C@@H](NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)C1=O ZINC000175017111 327368271 /nfs/dbraw/zinc/36/82/71/327368271.db2.gz WZPBMDPUAXUMJS-ZACQAIPSSA-N 0 3 365.543 2.499 10 0 FEAEHN CC[C@@H](COC)NC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000175178615 327378277 /nfs/dbraw/zinc/37/82/77/327378277.db2.gz FOZYAOGGRMBQEL-RBUKOAKNSA-N 0 3 363.502 2.156 10 0 FEAEHN CCN1CCC[C@H]1CN(C)CC(=O)N(C)CCOc1ccccc1F ZINC000175338029 327387804 /nfs/dbraw/zinc/38/78/04/327387804.db2.gz LOUMCIHGSXISEU-INIZCTEOSA-N 0 3 351.466 2.079 10 0 FEAEHN C[C@@H](NC(=O)[C@H](C)NC[C@H]1CN(C)CCO1)c1ccc2ccccc2c1 ZINC000246613510 328632443 /nfs/dbraw/zinc/63/24/43/328632443.db2.gz SFYYEKMDJDMOKC-GUXCAODWSA-N 0 3 355.482 2.326 10 0 FEAEHN N[C@@H]1CN(C(=O)CCCc2ccc3c(c2)CC(=O)N3)C[C@H]1c1ccccc1 ZINC000262119653 328843642 /nfs/dbraw/zinc/84/36/42/328843642.db2.gz BUQHZALBZFLZOK-RBUKOAKNSA-N 0 3 363.461 2.457 10 0 FEAEHN CN(C)c1ccc(-c2cncc(-c3nc([C@H]4CNCCN4C)no3)c2)cc1 ZINC000263317848 328932603 /nfs/dbraw/zinc/93/26/03/328932603.db2.gz ZSTGERZJAZANJV-GOSISDBHSA-N 0 3 364.453 2.441 10 0 FEAEHN C[C@@H]1CN(c2ccc(C(=O)N3C[C@@H]4CCCN4C[C@@H]3C)cn2)C[C@@H](C)O1 ZINC000247557635 549356205 /nfs/dbraw/zinc/35/62/05/549356205.db2.gz ZTKUMZVGOUYZSY-LHHMISFZSA-N 0 3 358.486 2.004 10 0 FEAEHN CCn1cnnc1C1CCN(C[C@H](O)COCc2ccccc2OC)CC1 ZINC000155402221 545522533 /nfs/dbraw/zinc/52/25/33/545522533.db2.gz MDAYRWUSRHCQSC-SFHVURJKSA-N 0 3 374.485 2.064 10 0 FEAEHN CCN1CCO[C@@H](CNCc2ccc(I)cc2)C1 ZINC000165966360 546154643 /nfs/dbraw/zinc/15/46/43/546154643.db2.gz NGGYPFCQADUQNM-AWEZNQCLSA-N 0 3 360.239 2.102 10 0 FEAEHN CC[C@@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CCN1C[C@@H](C)O ZINC000174614845 546300393 /nfs/dbraw/zinc/30/03/93/546300393.db2.gz MFNCMXXOWUFFCY-CZUORRHYSA-N 0 3 360.433 2.133 10 0 FEAEHN O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)[C@@H]1CNC(=O)C1 ZINC000176663752 546473781 /nfs/dbraw/zinc/47/37/81/546473781.db2.gz JUOUSBGVDGXCPC-FQEVSTJZSA-N 0 3 365.477 2.331 10 0 FEAEHN Cc1ccc(NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)c(C)n1 ZINC000176724696 546480561 /nfs/dbraw/zinc/48/05/61/546480561.db2.gz ZRFOQFGWORGODU-SFHVURJKSA-N 0 3 354.454 2.239 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000176973804 546517172 /nfs/dbraw/zinc/51/71/72/546517172.db2.gz CPBCWNRVXRMWCH-QGZVFWFLSA-N 0 3 371.485 2.118 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1nn(-c2ccccc2)c(C)cc1=O ZINC000177019089 546524860 /nfs/dbraw/zinc/52/48/60/546524860.db2.gz LFAONMBDGMXEJT-QGZVFWFLSA-N 0 3 354.454 2.097 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C[C@@H]1c2ccccc2CCN1C(C)=O ZINC000177018735 546524952 /nfs/dbraw/zinc/52/49/52/546524952.db2.gz XLJQGNFMJCHMQL-AZUAARDMSA-N 0 3 357.498 2.465 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000177704419 546671922 /nfs/dbraw/zinc/67/19/22/546671922.db2.gz IUAZDCRJKWIUMZ-DOTOQJQBSA-N 0 3 363.502 2.125 10 0 FEAEHN CN(C)C(=O)Nc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)c(Cl)c1 ZINC000178549763 546810883 /nfs/dbraw/zinc/81/08/83/546810883.db2.gz WUPSRXQWCDCKFH-CYBMUJFWSA-N 0 3 350.850 2.354 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000178628672 546823244 /nfs/dbraw/zinc/82/32/44/546823244.db2.gz OJBVGWFRMFNORP-QGZVFWFLSA-N 0 3 359.470 2.187 10 0 FEAEHN COC(=O)c1ccc(NC(=O)CN2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000178745528 546842275 /nfs/dbraw/zinc/84/22/75/546842275.db2.gz BWBBACYLFQGGQX-QGZVFWFLSA-N 0 3 356.426 2.081 10 0 FEAEHN COCc1ccccc1CNC(=O)CN1CCC[C@H]1Cn1ccnc1C ZINC000178751069 546843088 /nfs/dbraw/zinc/84/30/88/546843088.db2.gz DTSLIZIVPOMDMY-IBGZPJMESA-N 0 3 356.470 2.119 10 0 FEAEHN CC(C)c1ccc([C@H](C)NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)cc1 ZINC000178757766 546844084 /nfs/dbraw/zinc/84/40/84/546844084.db2.gz NQINWTCKEIPXDM-HNNXBMFYSA-N 0 3 371.485 2.384 10 0 FEAEHN COC(=O)c1ccc(C)c(NC(=O)CN2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000178752934 546844094 /nfs/dbraw/zinc/84/40/94/546844094.db2.gz XNFMEVDHGSCJFK-QGZVFWFLSA-N 0 3 370.453 2.390 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2c[nH]c3nccc(Cl)c23)C1 ZINC000179378936 546943219 /nfs/dbraw/zinc/94/32/19/546943219.db2.gz AZAHEVBKBCFNSJ-PWSUYJOCSA-N 0 3 356.879 2.223 10 0 FEAEHN COC(=O)C1CCC(C(=O)NCc2ccccc2OCCN(C)C)CC1 ZINC000180102511 547052621 /nfs/dbraw/zinc/05/26/21/547052621.db2.gz WZCXSTUFNIUYIK-UHFFFAOYSA-N 0 3 362.470 2.223 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000180998805 547227374 /nfs/dbraw/zinc/22/73/74/547227374.db2.gz LQAVDALKKYVYJZ-MRXNPFEDSA-N 0 3 357.458 2.108 10 0 FEAEHN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000181280210 547285033 /nfs/dbraw/zinc/28/50/33/547285033.db2.gz ZEAJWRPAJXSVOL-DOTOQJQBSA-N 0 3 370.501 2.495 10 0 FEAEHN Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000181305615 547290699 /nfs/dbraw/zinc/29/06/99/547290699.db2.gz JAVBLBXEJGERQM-RHSMWYFYSA-N 0 3 356.474 2.241 10 0 FEAEHN CC(C)c1cc(C(=O)N(C)C2CCN(CCn3cccn3)CC2)cc(=O)[nH]1 ZINC000181318576 547291340 /nfs/dbraw/zinc/29/13/40/547291340.db2.gz CVVORDUJCXKTAL-UHFFFAOYSA-N 0 3 371.485 2.344 10 0 FEAEHN COCc1nnc(-c2cccc(C(=O)N3C[C@H]4CCCN4C[C@@H]3C)c2)o1 ZINC000182038173 547426308 /nfs/dbraw/zinc/42/63/08/547426308.db2.gz FIYDXSYNPFDDLR-XJKSGUPXSA-N 0 3 356.426 2.192 10 0 FEAEHN COCc1noc(CN(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)n1 ZINC000182236769 547457761 /nfs/dbraw/zinc/45/77/61/547457761.db2.gz HHIDPXMHUULWEM-GOSISDBHSA-N 0 3 374.485 2.093 10 0 FEAEHN CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000183419437 547655263 /nfs/dbraw/zinc/65/52/63/547655263.db2.gz FUYBJBCHULOTSC-LJQANCHMSA-N 0 3 362.493 2.482 10 0 FEAEHN C[C@@H]1C[C@H](N(C)C(=O)NCC(=O)NCC2CC2)CCN1Cc1ccccc1 ZINC000183775452 547718706 /nfs/dbraw/zinc/71/87/06/547718706.db2.gz SMLBYAFHOXAEDF-VQIMIIECSA-N 0 3 372.513 2.207 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)CCCS(=O)(=O)c1ccccc1OC ZINC000184228671 547791335 /nfs/dbraw/zinc/79/13/35/547791335.db2.gz VWHKRBYHPKQEOO-MRXNPFEDSA-N 0 3 354.516 2.275 10 0 FEAEHN CC(C)n1nnnc1-c1ccccc1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000184636944 547859098 /nfs/dbraw/zinc/85/90/98/547859098.db2.gz COBBHZFJEDBXEH-AWEZNQCLSA-N 0 3 355.446 2.233 10 0 FEAEHN CC(=O)N[C@H]1CCCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000186332249 548121274 /nfs/dbraw/zinc/12/12/74/548121274.db2.gz LCSIEZIJXBMMDS-PMACEKPBSA-N 0 3 372.513 2.207 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCC1CCN(CC(F)(F)F)CC1 ZINC000186781069 548190955 /nfs/dbraw/zinc/19/09/55/548190955.db2.gz QBZAXCHELOPFAW-OAHLLOKOSA-N 0 3 364.456 2.386 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC000188540814 548281299 /nfs/dbraw/zinc/28/12/99/548281299.db2.gz RYSFDGDXDBKYSX-RBUKOAKNSA-N 0 3 372.513 2.222 10 0 FEAEHN CCCCN(C)C(=O)C1CCN(C(=O)N[C@H]2CCCN(CC)C2)CC1 ZINC000194170073 548444034 /nfs/dbraw/zinc/44/40/34/548444034.db2.gz CYOGYVMHMWTZAE-KRWDZBQOSA-N 0 3 352.523 2.151 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(Cc2cn3cccnc3n2)C1 ZINC000195266501 548607340 /nfs/dbraw/zinc/60/73/40/548607340.db2.gz BFBHBTAMEHRGAL-OAHLLOKOSA-N 0 3 356.499 2.448 10 0 FEAEHN COc1cc(C(C)=O)ccc1OCCCC(=O)N1CCN2CCC[C@H]2C1 ZINC000195333155 548626019 /nfs/dbraw/zinc/62/60/19/548626019.db2.gz ROVQVBGJBSUSRJ-KRWDZBQOSA-N 0 3 360.454 2.363 10 0 FEAEHN Cc1ccc(-c2noc(CCC(=O)N3CCN4CCC[C@H]4C3)n2)cc1F ZINC000195336520 548626845 /nfs/dbraw/zinc/62/68/45/548626845.db2.gz MYLOCMWSUCVEMF-HNNXBMFYSA-N 0 3 358.417 2.423 10 0 FEAEHN CCOc1ccc(OCCNC(=O)CN2CCC(c3ccn[nH]3)CC2)cc1 ZINC000195505821 548652108 /nfs/dbraw/zinc/65/21/08/548652108.db2.gz ZIEZALXKMDQQFI-UHFFFAOYSA-N 0 3 372.469 2.183 10 0 FEAEHN C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCC(c2ccn[nH]2)CC1 ZINC000195505607 548652623 /nfs/dbraw/zinc/65/26/23/548652623.db2.gz UHHLFEJKTXDYMI-CQSZACIVSA-N 0 3 355.442 2.004 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)C1 ZINC000245387977 548904263 /nfs/dbraw/zinc/90/42/63/548904263.db2.gz BDDXVEVSEWPJDZ-NVXWUHKLSA-N 0 3 352.523 2.053 10 0 FEAEHN C[C@H](O)CN1CCN(CCOc2ccccc2Br)C[C@@H]1C ZINC000245515167 548937217 /nfs/dbraw/zinc/93/72/17/548937217.db2.gz GZVJUQBZPVZQOB-KBPBESRZSA-N 0 3 357.292 2.215 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000245632510 548961918 /nfs/dbraw/zinc/96/19/18/548961918.db2.gz IIDTXLLQNFTCTQ-QUIPCFFLSA-N 0 3 359.445 2.040 10 0 FEAEHN Clc1ccc(C2=NO[C@H](CN3CC[C@@H](CN4CCOCC4)C3)C2)cc1 ZINC000245684601 548974776 /nfs/dbraw/zinc/97/47/76/548974776.db2.gz ADUDCDIPQIRREZ-YJBOKZPZSA-N 0 3 363.889 2.487 10 0 FEAEHN CCOc1c(OC)cc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1OC ZINC000245790359 548994552 /nfs/dbraw/zinc/99/45/52/548994552.db2.gz WAZOMRSZNDHNAX-WBVHZDCISA-N 0 3 364.486 2.255 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000245905867 549016413 /nfs/dbraw/zinc/01/64/13/549016413.db2.gz CDUSFBCHLUNBRB-PBHICJAKSA-N 0 3 361.490 2.203 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2OC(F)F)C1 ZINC000246295190 549098059 /nfs/dbraw/zinc/09/80/59/549098059.db2.gz CRYVQXCOYHEBSC-DGCLKSJQSA-N 0 3 355.385 2.071 10 0 FEAEHN COc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000246318161 549104935 /nfs/dbraw/zinc/10/49/35/549104935.db2.gz FIJVRTSEQVQHHG-CZUORRHYSA-N 0 3 362.474 2.247 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)COc2ccccc2C(C)C)CCN1C[C@H](C)O ZINC000246339434 549110107 /nfs/dbraw/zinc/11/01/07/549110107.db2.gz LJHBZFMAKXIOGH-OTWHNJEPSA-N 0 3 364.530 2.327 10 0 FEAEHN CN(C[C@@H](O)COC(C)(C)C)C[C@H](c1cccs1)N1CCOCC1 ZINC000246377120 549119482 /nfs/dbraw/zinc/11/94/82/549119482.db2.gz OJSHBVMWVWLWGO-HZPDHXFCSA-N 0 3 356.532 2.229 10 0 FEAEHN Cc1csc([C@@H]2CCCN(C[C@H]3CCCN(S(C)(=O)=O)C3)C2)n1 ZINC000246394204 549122731 /nfs/dbraw/zinc/12/27/31/549122731.db2.gz SRDWBIBZDMRXLX-HUUCEWRRSA-N 0 3 357.545 2.303 10 0 FEAEHN COc1cc(C(=O)N(C)C)ccc1NC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000246398122 549124637 /nfs/dbraw/zinc/12/46/37/549124637.db2.gz LDNCQHPNJGDRJW-XJKSGUPXSA-N 0 3 362.474 2.247 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2Br)C1 ZINC000246437147 549132149 /nfs/dbraw/zinc/13/21/49/549132149.db2.gz NOLKYJYGCSKDSL-BXUZGUMPSA-N 0 3 368.275 2.233 10 0 FEAEHN C[C@@H]1CN(Cc2cccc(C(=O)N3CCCCC3)c2)C[C@H]1N1CCOCC1 ZINC000246482921 549142726 /nfs/dbraw/zinc/14/27/26/549142726.db2.gz OVAYAVKGCZRYBV-WIYYLYMNSA-N 0 3 371.525 2.465 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000246537597 549156182 /nfs/dbraw/zinc/15/61/82/549156182.db2.gz HOBMWQPOQPQMFX-PBHICJAKSA-N 0 3 362.449 2.057 10 0 FEAEHN CCc1nc2cc(NC(=O)C(=O)N[C@@H]3CN(C(C)C)C[C@H]3C)ccc2o1 ZINC000246546538 549158497 /nfs/dbraw/zinc/15/84/97/549158497.db2.gz VTPLMBZIRPEMLX-IUODEOHRSA-N 0 3 358.442 2.174 10 0 FEAEHN C[C@H](NC[C@H]1CN(C)CCO1)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000246636419 549179994 /nfs/dbraw/zinc/17/99/94/549179994.db2.gz WGSKXSXMIOGMOV-BQFCYCMXSA-N 0 3 355.482 2.326 10 0 FEAEHN CN(C[C@H]1CCCN(C)C1)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000246814999 549219860 /nfs/dbraw/zinc/21/98/60/549219860.db2.gz OFLMUTRFWXNQLE-QRFRQXIXSA-N 0 3 357.498 2.396 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cc(Br)cnc2N(C)C)C1 ZINC000246980533 549256492 /nfs/dbraw/zinc/25/64/92/549256492.db2.gz GHJZXQCYKQXDHF-BXUZGUMPSA-N 0 3 369.307 2.369 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)CC2 ZINC000247294654 549312722 /nfs/dbraw/zinc/31/27/22/549312722.db2.gz FMTPDTKDMZJXDT-OWCLPIDISA-N 0 3 362.522 2.136 10 0 FEAEHN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C[C@@H](O)COC(C)(C)C)C1 ZINC000247644815 549368210 /nfs/dbraw/zinc/36/82/10/549368210.db2.gz UFOWGEYNDIJWBY-UONOGXRCSA-N 0 3 368.440 2.285 10 0 FEAEHN CC(=O)Nc1ccc(OC[C@H](O)CN2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000248163119 549413332 /nfs/dbraw/zinc/41/33/32/549413332.db2.gz SLOABCGCXMPQDU-ILZDJORESA-N 0 3 362.470 2.012 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)C1 ZINC000248511368 549452354 /nfs/dbraw/zinc/45/23/54/549452354.db2.gz BGKPAYSGSIFMTL-QZTJIDSGSA-N 0 3 359.449 2.432 10 0 FEAEHN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCN2CCC[C@H]2C1 ZINC000248717759 549489752 /nfs/dbraw/zinc/48/97/52/549489752.db2.gz FLIRULMZZIARAB-DZGCQCFKSA-N 0 3 351.244 2.059 10 0 FEAEHN Cc1c(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cnn1C1CCCC1 ZINC000248720849 549490436 /nfs/dbraw/zinc/49/04/36/549490436.db2.gz FLNUFILFTXSQTJ-CXAGYDPISA-N 0 3 361.490 2.090 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000248730278 549491722 /nfs/dbraw/zinc/49/17/22/549491722.db2.gz KEOYMBGOTGNUPF-STQMWFEESA-N 0 3 370.375 2.124 10 0 FEAEHN C[N@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000248827450 549508592 /nfs/dbraw/zinc/50/85/92/549508592.db2.gz XQOLVWRBKPPODZ-RBUKOAKNSA-N 0 3 373.497 2.049 10 0 FEAEHN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000248827450 549508596 /nfs/dbraw/zinc/50/85/96/549508596.db2.gz XQOLVWRBKPPODZ-RBUKOAKNSA-N 0 3 373.497 2.049 10 0 FEAEHN CS(=O)(=O)N(CCN1CC[C@@]2(O)CCCC[C@H]2C1)Cc1ccccc1 ZINC000248904635 549525587 /nfs/dbraw/zinc/52/55/87/549525587.db2.gz WGEIAMLQDDIVPY-OALUTQOASA-N 0 3 366.527 2.075 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(OC)cc1OCCOC ZINC000249011203 549538991 /nfs/dbraw/zinc/53/89/91/549538991.db2.gz IRGTZRWRGWHOTL-CVEARBPZSA-N 0 3 362.470 2.419 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(F)ccc1OC(F)F ZINC000249138181 549558912 /nfs/dbraw/zinc/55/89/12/549558912.db2.gz FEOXLMGUBXAXQO-PWSUYJOCSA-N 0 3 371.359 2.061 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000249180364 549565353 /nfs/dbraw/zinc/56/53/53/549565353.db2.gz NAUSEBDNIXKZIP-SJORKVTESA-N 0 3 368.437 2.365 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000249190186 549566951 /nfs/dbraw/zinc/56/69/51/549566951.db2.gz PCSQXTOVZBHKCP-HIFRSBDPSA-N 0 3 370.478 2.444 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)c2cccnc12 ZINC000249232783 549570942 /nfs/dbraw/zinc/57/09/42/549570942.db2.gz VSVFTZLVVJTNSS-HUUCEWRRSA-N 0 3 352.438 2.177 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(CC)C2)[C@@H]1Oc1ccccc1 ZINC000249462069 549594248 /nfs/dbraw/zinc/59/42/48/549594248.db2.gz REFGOOPTRQKSBA-LULLPPNCSA-N 0 3 361.486 2.395 10 0 FEAEHN CC(=O)N[C@@H]1CCCN(C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000249740239 549622260 /nfs/dbraw/zinc/62/22/60/549622260.db2.gz XPQOEPFZTMZPDZ-FSPWUOQZSA-N 0 3 354.878 2.379 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000249764314 549626480 /nfs/dbraw/zinc/62/64/80/549626480.db2.gz NPMOXARHQCRMGW-ZBFHGGJFSA-N 0 3 367.515 2.277 10 0 FEAEHN O[C@H](COc1ccc(Cl)cc1)CN1CCC[C@@H](Cn2cncn2)C1 ZINC000252353128 549664726 /nfs/dbraw/zinc/66/47/26/549664726.db2.gz RYWBRHCBGIVTOK-ZBFHGGJFSA-N 0 3 350.850 2.083 10 0 FEAEHN CCN(C(=O)c1nn(CCOc2ccccc2)c2c1CNCC2)C(C)C ZINC000257192228 549715303 /nfs/dbraw/zinc/71/53/03/549715303.db2.gz QKDUQVJHOFXJHT-UHFFFAOYSA-N 0 3 356.470 2.478 10 0 FEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC000263454214 549902368 /nfs/dbraw/zinc/90/23/68/549902368.db2.gz AMCRVHNOMGGMIK-JEYLPNPQSA-N 0 3 350.459 2.162 10 0 FEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC000263454214 549902369 /nfs/dbraw/zinc/90/23/69/549902369.db2.gz AMCRVHNOMGGMIK-JEYLPNPQSA-N 0 3 350.459 2.162 10 0 FEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC000263454214 549902371 /nfs/dbraw/zinc/90/23/71/549902371.db2.gz AMCRVHNOMGGMIK-JEYLPNPQSA-N 0 3 350.459 2.162 10 0 FEAEHN CCc1cc(=O)n2nc(N3CCN(CC4CCCCC4)CC3)sc2n1 ZINC000301125910 553623900 /nfs/dbraw/zinc/62/39/00/553623900.db2.gz YYWFOBZHLXLBPE-UHFFFAOYSA-N 0 3 361.515 2.416 10 0 FEAEHN CCOc1cc2nccc(NC[C@H]3CN4CCN3CC4)c2cc1OCC ZINC000301801490 553681200 /nfs/dbraw/zinc/68/12/00/553681200.db2.gz WQCDAWKJENLYQH-HNNXBMFYSA-N 0 3 356.470 2.444 10 0 FEAEHN OC[C@@H]1CCCN1c1cc(NCC2CCN(c3ccncc3)CC2)ncn1 ZINC000301959143 553694591 /nfs/dbraw/zinc/69/45/91/553694591.db2.gz OQYTZUGXVAMKLS-SFHVURJKSA-N 0 3 368.485 2.161 10 0 FEAEHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)/C=C/c1ccn(C)c1 ZINC000365176490 555502489 /nfs/dbraw/zinc/50/24/89/555502489.db2.gz MALBXOBLEWWBKF-MHNQQFQPSA-N 0 3 353.466 2.134 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)c2cccc(F)c2I)C1 ZINC000533085250 562497885 /nfs/dbraw/zinc/49/78/85/562497885.db2.gz FQNNUIFVNXPGIX-SECBINFHSA-N 0 3 362.186 2.206 10 0 FEAEHN Cn1ncc(Br)c1C1=C[C@@H](N)CN(C(=O)OC(C)(C)C)C1 ZINC000675078111 571272694 /nfs/dbraw/zinc/27/26/94/571272694.db2.gz MPDKFYFBIGMWSD-SNVBAGLBSA-N 0 3 357.252 2.144 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)C1 ZINC000116535529 670906062 /nfs/dbraw/zinc/90/60/62/670906062.db2.gz DHCKHWFXLMRNPE-MRXNPFEDSA-N 0 3 365.909 2.047 10 0 FEAEHN CC[C@H]1CN(Cn2nc(N(C)C)n(C(C)C)c2=S)CCN1CCOC ZINC000117325016 670914804 /nfs/dbraw/zinc/91/48/04/670914804.db2.gz QLHXAGFYJSLEQB-HNNXBMFYSA-N 0 3 370.567 2.061 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000179217827 672399928 /nfs/dbraw/zinc/39/99/28/672399928.db2.gz SDSRZACWMZSFBD-CABCVRRESA-N 0 3 354.495 2.169 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000237005941 672805399 /nfs/dbraw/zinc/80/53/99/672805399.db2.gz MUVXTVCDAPTOIS-IAQYHMDHSA-N 0 3 355.504 2.384 10 0 FEAEHN C[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CN1C1CC1 ZINC000246311517 672834574 /nfs/dbraw/zinc/83/45/74/672834574.db2.gz BVZBZIGIOIOUPE-BARDWOONSA-N 0 3 351.491 2.421 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)C1 ZINC000246611666 672839484 /nfs/dbraw/zinc/83/94/84/672839484.db2.gz RHTPYKGNJFBWKL-RHSMWYFYSA-N 0 3 351.516 2.076 10 0 FEAEHN CC(C)(C)OC(=O)NC[C@@H]1CCCN1C[C@@H](O)COc1ccccc1 ZINC000247571339 672851782 /nfs/dbraw/zinc/85/17/82/672851782.db2.gz RUINVAVEXGSMRE-JKSUJKDBSA-N 0 3 350.459 2.415 10 0 FEAEHN NC1(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)CCOCC1 ZINC000261933277 672905496 /nfs/dbraw/zinc/90/54/96/672905496.db2.gz WOGJMBMNTXPFPE-UHFFFAOYSA-N 0 3 352.847 2.229 10 0 FEAEHN CCc1csc([C@H]2CCCN(C(=O)c3ccnn3CCN(C)C)C2)n1 ZINC000900705881 690550762 /nfs/dbraw/zinc/55/07/62/690550762.db2.gz NOOUUBSURYMLRI-AWEZNQCLSA-N 0 3 361.515 2.483 10 0 FEAEHN C[C@H]1Oc2ccccc2N(CC(=O)N[C@H](CN(C)C)c2ccccc2)C1=O ZINC000029953927 539870276 /nfs/dbraw/zinc/87/02/76/539870276.db2.gz VWYJOJBFEQXQHN-NVXWUHKLSA-N 0 3 367.449 2.220 10 0 FEAEHN Cc1cc2nc(C)c(=O)n(CC(=O)NCCN3CCCC[C@H]3C)c2cc1C ZINC000033254814 539973423 /nfs/dbraw/zinc/97/34/23/539973423.db2.gz XKLSUGRMYJVGJN-MRXNPFEDSA-N 0 3 370.497 2.312 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000052523737 540470337 /nfs/dbraw/zinc/47/03/37/540470337.db2.gz GFWXIRBUEUFXLO-ZDUSSCGKSA-N 0 3 360.380 2.306 10 0 FEAEHN CN(C)C[C@H](NC(=O)NCCNC(=O)c1ccc(F)cc1)c1ccccc1 ZINC000056824118 540748561 /nfs/dbraw/zinc/74/85/61/540748561.db2.gz OADPQAMGGRRAKE-SFHVURJKSA-N 0 3 372.444 2.158 10 0 FEAEHN CCC[C@H](C(=O)NC[C@@H](O)COc1ccccc1Br)N(C)C ZINC000157774246 545780982 /nfs/dbraw/zinc/78/09/82/545780982.db2.gz JDESFKLAQVTFHE-TZMCWYRMSA-N 0 3 373.291 2.035 10 0 FEAEHN CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@H](N1CCCC1)CC2 ZINC000014733636 211098212 /nfs/dbraw/zinc/09/82/12/211098212.db2.gz QRAOROMHNNJGIP-QGZVFWFLSA-N 0 3 352.482 2.439 10 0 FEAEHN O=C(OC[C@H]1COc2c(cccc2N2CCNCC2)O1)c1ccccc1 ZINC000252492075 132292495 /nfs/dbraw/zinc/29/24/95/132292495.db2.gz MBVFLXSVQGDIMB-MRXNPFEDSA-N 0 3 354.406 2.093 10 0 FEAEHN CCc1cc2c(ncnc2NC2CCN(C[C@H](O)COC)CC2)s1 ZINC000089646284 542767732 /nfs/dbraw/zinc/76/77/32/542767732.db2.gz VKDHEBWJWBBASR-ZDUSSCGKSA-N 0 3 350.488 2.137 10 0 FEAEHN CC(C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)Cc1noc(C2CC2)n1 ZINC000098151663 543024317 /nfs/dbraw/zinc/02/43/17/543024317.db2.gz IAKHGPOJOYZTPN-NWDGAFQWSA-N 0 3 363.439 2.128 10 0 FEAEHN Cc1ccccc1[C@H](C)NCC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000102683708 543077372 /nfs/dbraw/zinc/07/73/72/543077372.db2.gz NZVPPNXVVVHWTN-AWEZNQCLSA-N 0 3 361.467 2.240 10 0 FEAEHN O=C(NCC1(N2CCSCC2)CCCC1)N1CCN2CCCC[C@H]2C1 ZINC000105150134 543162460 /nfs/dbraw/zinc/16/24/60/543162460.db2.gz VNFTUTRYXSVKCL-KRWDZBQOSA-N 0 3 366.575 2.228 10 0 FEAEHN COCCN1CCN(CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@H]1C ZINC000106108330 543199962 /nfs/dbraw/zinc/19/99/62/543199962.db2.gz IBQUDOPEOSDJOE-YLJYHZDGSA-N 0 3 359.514 2.223 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)c2cccc(Br)c2)CCN1C[C@@H](C)O ZINC000106103882 543197051 /nfs/dbraw/zinc/19/70/51/543197051.db2.gz BVDVOBUYISYJKK-XYPHTWIQSA-N 0 3 371.319 2.260 10 0 FEAEHN CC[C@@H]1CN(CCC(=O)NCc2ccccc2Cl)CCN1CCOC ZINC000106114573 543201802 /nfs/dbraw/zinc/20/18/02/543201802.db2.gz IZJLWDSFZJWVQO-QGZVFWFLSA-N 0 3 367.921 2.389 10 0 FEAEHN CCOCCN1CCN([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C[C@H]1CC ZINC000106119060 543203766 /nfs/dbraw/zinc/20/37/66/543203766.db2.gz FDBGFQPAKBTDBQ-JKSUJKDBSA-N 0 3 358.486 2.417 10 0 FEAEHN CCc1nnc(CN(C)CC2CCN(C[C@H](O)c3ccccc3)CC2)n1C ZINC000106127171 543204570 /nfs/dbraw/zinc/20/45/70/543204570.db2.gz YSUSCHQAUGOHMF-IBGZPJMESA-N 0 3 371.529 2.255 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@H](C)C(=O)N[C@@H](C)c1ccccc1OC)CC2 ZINC000107304360 543265767 /nfs/dbraw/zinc/26/57/67/543265767.db2.gz BLYWYYYMGOCGPA-RRFJBIMHSA-N 0 3 371.485 2.019 10 0 FEAEHN Cc1c(C(=O)N2CC[C@@H](N(C)C)C2)nnn1-c1ccc(OC(C)C)cc1 ZINC000108994240 543310129 /nfs/dbraw/zinc/31/01/29/543310129.db2.gz UQEMXZUMLLXXMU-MRXNPFEDSA-N 0 3 357.458 2.139 10 0 FEAEHN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3ccc(CN(C)C)cc3)CCO2)n1 ZINC000110899657 543373238 /nfs/dbraw/zinc/37/32/38/543373238.db2.gz CRVBMLLBINNQAT-IBGZPJMESA-N 0 3 356.470 2.103 10 0 FEAEHN CCOc1ccc(NC(=O)[C@@H](C)N[C@H]2CCc3nc(CC)nn3C2)cc1 ZINC000112550552 543451609 /nfs/dbraw/zinc/45/16/09/543451609.db2.gz UEDLYRVVQNZPEP-HIFRSBDPSA-N 0 3 357.458 2.171 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(Br)cnc1N(C)C ZINC000113227171 543477589 /nfs/dbraw/zinc/47/75/89/543477589.db2.gz HZPKNCVOHQXHNC-DGCLKSJQSA-N 0 3 367.291 2.219 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@@H](C)C(=O)NCc1ccccc1F)CC2 ZINC000113442634 543487787 /nfs/dbraw/zinc/48/77/87/543487787.db2.gz NKWFECQASFAYNF-DZGCQCFKSA-N 0 3 359.449 2.150 10 0 FEAEHN C[C@@H](NC(C)(C)CNC(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000113625807 543493538 /nfs/dbraw/zinc/49/35/38/543493538.db2.gz ZLTCCVRYLKCUJB-GDBMZVCRSA-N 0 3 356.474 2.022 10 0 FEAEHN C[C@H](NC(C)(C)CNC(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000113625806 543493590 /nfs/dbraw/zinc/49/35/90/543493590.db2.gz ZLTCCVRYLKCUJB-GOEBONIOSA-N 0 3 356.474 2.022 10 0 FEAEHN Cc1ccc(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)c(C)n1 ZINC000114413964 543514756 /nfs/dbraw/zinc/51/47/56/543514756.db2.gz FALKWWAISIJXIN-UHFFFAOYSA-N 0 3 353.470 2.117 10 0 FEAEHN Cc1csc(NC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)n1 ZINC000114511555 543521768 /nfs/dbraw/zinc/52/17/68/543521768.db2.gz USVSYTCXANXKAE-UHFFFAOYSA-N 0 3 360.487 2.262 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)NCc3ccc(F)cc3)CC2)nc1 ZINC000114511598 543522221 /nfs/dbraw/zinc/52/22/21/543522221.db2.gz NXHHIADKTDBGPW-UHFFFAOYSA-N 0 3 371.460 2.314 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000247462824 549338054 /nfs/dbraw/zinc/33/80/54/549338054.db2.gz QZDPLBZBQMPUAZ-JQWIXIFHSA-N 0 3 367.243 2.487 10 0 FEAEHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)c1ncnc2c1CC(=O)N2 ZINC000116375608 543607822 /nfs/dbraw/zinc/60/78/22/543607822.db2.gz LZJZCBPCIYXMTH-PBHICJAKSA-N 0 3 351.454 2.318 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NCC2(c3ccc(Cl)cc3)CC2)CCO1 ZINC000117044588 543621920 /nfs/dbraw/zinc/62/19/20/543621920.db2.gz BGDRVTFVIBNNHP-MRXNPFEDSA-N 0 3 351.878 2.344 10 0 FEAEHN CC(C)COc1ccc(NC(=O)NC[C@H](O)CN2CCCCC2)cn1 ZINC000117009296 543620917 /nfs/dbraw/zinc/62/09/17/543620917.db2.gz YWCHASHRKGXVRM-INIZCTEOSA-N 0 3 350.463 2.085 10 0 FEAEHN CN(C)C(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000123676696 543776223 /nfs/dbraw/zinc/77/62/23/543776223.db2.gz JJCWPVXGFWXWEI-SJLPKXTDSA-N 0 3 361.461 2.117 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)C1 ZINC000126475687 543937658 /nfs/dbraw/zinc/93/76/58/543937658.db2.gz ZUAQPESHSYZRDA-UEILYKACSA-N 0 3 361.461 2.190 10 0 FEAEHN CCNc1nnc(S(=O)(=O)C(C)C(=O)N[C@H](C)c2ccccc2)s1 ZINC000127808236 544014843 /nfs/dbraw/zinc/01/48/43/544014843.db2.gz MNYSUUWLDYKGDY-GHMZBOCLSA-N 0 3 368.484 2.010 10 0 FEAEHN CS[C@@H](C)CNC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000129175520 544095405 /nfs/dbraw/zinc/09/54/05/544095405.db2.gz FAQKIGKDJMKIOB-MAUKXSAKSA-N 0 3 365.543 2.483 10 0 FEAEHN CC(C)[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C(N)=O ZINC000134449811 544308308 /nfs/dbraw/zinc/30/83/08/544308308.db2.gz AKCJUKMDZHJJFK-HOCLYGCPSA-N 0 3 366.531 2.330 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1ccccc1OCCN(C)C)CC2 ZINC000136833355 544379565 /nfs/dbraw/zinc/37/95/65/544379565.db2.gz VVIJDLWTTMWJNM-OAHLLOKOSA-N 0 3 371.485 2.087 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc3oc(C4CC4)nc3c2)C1 ZINC000150795545 544472928 /nfs/dbraw/zinc/47/29/28/544472928.db2.gz UIVXOLHCFIXFRV-WBMJQRKESA-N 0 3 370.453 2.489 10 0 FEAEHN COC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000153028707 544724995 /nfs/dbraw/zinc/72/49/95/544724995.db2.gz CHWLWZXACZRGLL-BRWVUGGUSA-N 0 3 368.437 2.078 10 0 FEAEHN C[C@H](NC(=O)NC[C@H](c1ccccc1)N(C)C)c1nnc2n1CCCC2 ZINC000153083247 544730977 /nfs/dbraw/zinc/73/09/77/544730977.db2.gz HBLRUGHMBGZBSG-GOEBONIOSA-N 0 3 356.474 2.278 10 0 FEAEHN CN(C[C@H]1CCN(C)C1)S(=O)(=O)c1ccc(Br)cc1F ZINC000154527802 544917664 /nfs/dbraw/zinc/91/76/64/544917664.db2.gz NBNZUXAEPBJFJO-JTQLQIEISA-N 0 3 365.268 2.160 10 0 FEAEHN C[C@H](CC(=O)Nc1cccc(Br)c1)NC[C@@H]1CN(C)CCO1 ZINC000180492433 327688292 /nfs/dbraw/zinc/68/82/92/327688292.db2.gz YIVISTNVGVCZQZ-IUODEOHRSA-N 0 3 370.291 2.086 10 0 FEAEHN COCc1ccsc1C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000181700677 327742422 /nfs/dbraw/zinc/74/24/22/327742422.db2.gz MABSNELVPJALGJ-UHFFFAOYSA-N 0 3 362.499 2.328 10 0 FEAEHN COc1ccccc1C[C@H](C)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182356475 327771763 /nfs/dbraw/zinc/77/17/63/327771763.db2.gz AFZQLZMGVCHJLJ-WMLDXEAASA-N 0 3 356.470 2.453 10 0 FEAEHN CCCn1cc(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)cn1 ZINC000183217441 327807590 /nfs/dbraw/zinc/80/75/90/327807590.db2.gz QVBVIRGYSYEKQZ-FQEVSTJZSA-N 0 3 370.497 2.469 10 0 FEAEHN CCc1c(C(=O)N2CCO[C@H](CN(C)C)C2)cnn1-c1ccccc1C ZINC000185749275 327931072 /nfs/dbraw/zinc/93/10/72/327931072.db2.gz ZKSKWMFUIDRVIJ-MRXNPFEDSA-N 0 3 356.470 2.146 10 0 FEAEHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000187310932 328015637 /nfs/dbraw/zinc/01/56/37/328015637.db2.gz TUKXJOJHFDHFCH-MSOLQXFVSA-N 0 3 370.501 2.049 10 0 FEAEHN CN(C)Cc1c2ccccc2oc1C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188559930 328095295 /nfs/dbraw/zinc/09/52/95/328095295.db2.gz WULZJVDPEFPYDD-UHFFFAOYSA-N 0 3 355.438 2.235 10 0 FEAEHN Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000188980305 328121324 /nfs/dbraw/zinc/12/13/24/328121324.db2.gz PRVHGFUHFUPQQV-HNNXBMFYSA-N 0 3 366.469 2.165 10 0 FEAEHN Cc1ccc(-c2ncccc2NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)s1 ZINC000189463712 328150044 /nfs/dbraw/zinc/15/00/44/328150044.db2.gz CUOASACUWLWUGC-CYBMUJFWSA-N 0 3 358.467 2.220 10 0 FEAEHN C[C@H](NCC(=O)NC(=O)NCc1ccco1)c1cccc(-n2ccnc2)c1 ZINC000189887368 328173731 /nfs/dbraw/zinc/17/37/31/328173731.db2.gz AZEDCIWIQGWNHK-AWEZNQCLSA-N 0 3 367.409 2.142 10 0 FEAEHN CCc1nc2cc(NC(=O)C(=O)N3C[C@@H]4CCCN4C[C@@H]3C)ccc2o1 ZINC000190080816 328186810 /nfs/dbraw/zinc/18/68/10/328186810.db2.gz OTAJFSMBQPGSCC-JSGCOSHPSA-N 0 3 356.426 2.024 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000190101784 328188581 /nfs/dbraw/zinc/18/85/81/328188581.db2.gz BDYUHTQYUHXPCM-SWLSCSKDSA-N 0 3 351.397 2.432 10 0 FEAEHN CCN(CC(=O)OC(C)(C)C)C1CCN([C@@H]2CCN(C(C)C)C2=O)CC1 ZINC000190356761 328202400 /nfs/dbraw/zinc/20/24/00/328202400.db2.gz BOFMDSGHWBNPLZ-QGZVFWFLSA-N 0 3 367.534 2.124 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC000190581900 328217764 /nfs/dbraw/zinc/21/77/64/328217764.db2.gz YSXIOWOFTXDTFY-DLBZAZTESA-N 0 3 353.470 2.205 10 0 FEAEHN CC(=O)N[C@@H](C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1)C1CCCC1 ZINC000190586563 328217942 /nfs/dbraw/zinc/21/79/42/328217942.db2.gz HTHNCSKQOSLUKI-UYAOXDASSA-N 0 3 372.513 2.057 10 0 FEAEHN C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190610104 328219515 /nfs/dbraw/zinc/21/95/15/328219515.db2.gz SNNIFSFXOWNDAW-AEFFLSMTSA-N 0 3 374.529 2.303 10 0 FEAEHN Cc1cc(C[C@@H](C)NC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)[nH]n1 ZINC000190728565 328228310 /nfs/dbraw/zinc/22/83/10/328228310.db2.gz OTRMYYHULPDCDD-QAPCUYQASA-N 0 3 370.501 2.208 10 0 FEAEHN CCOC(=O)C1CCC(O)(CN2CCCN(c3nccs3)CC2)CC1 ZINC000190833154 328235076 /nfs/dbraw/zinc/23/50/76/328235076.db2.gz CPAHQLMPRGJJRF-UHFFFAOYSA-N 0 3 367.515 2.140 10 0 FEAEHN CCCc1cnc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2CC)s1 ZINC000190829908 328234869 /nfs/dbraw/zinc/23/48/69/328234869.db2.gz DMWHNOWUEWHDOQ-STQMWFEESA-N 0 3 350.488 2.119 10 0 FEAEHN CCOC(=O)C1CCC(O)(CN2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC000191041817 328247100 /nfs/dbraw/zinc/24/71/00/328247100.db2.gz FKDBYLRSFIGCBU-SCCNAQOGSA-N 0 3 361.482 2.414 10 0 FEAEHN CNC(=O)[C@H](NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)C(C)C ZINC000192665159 328332030 /nfs/dbraw/zinc/33/20/30/328332030.db2.gz DOQBETISUXNRCV-MAUKXSAKSA-N 0 3 360.502 2.282 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1nc2c(s1)CCCC2 ZINC000192708401 328334656 /nfs/dbraw/zinc/33/46/56/328334656.db2.gz VSPLDJDZWFPVQJ-LBPRGKRZSA-N 0 3 352.504 2.053 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)[C@@H]1CNC(=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000194880540 328444998 /nfs/dbraw/zinc/44/49/98/328444998.db2.gz BRUWSQQHNJXNST-DZGCQCFKSA-N 0 3 371.403 2.341 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000237045811 328502591 /nfs/dbraw/zinc/50/25/91/328502591.db2.gz WXAQSUPJGULAMG-YWPYICTPSA-N 0 3 352.866 2.286 10 0 FEAEHN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000083742662 325224370 /nfs/dbraw/zinc/22/43/70/325224370.db2.gz JSRVHKJVFBQELM-PREGVCBESA-N 0 3 360.506 2.327 10 0 FEAEHN Cc1cccc(C)c1OC[C@@H](O)CN1CCC(Nc2cccnn2)CC1 ZINC000106081165 325577523 /nfs/dbraw/zinc/57/75/23/325577523.db2.gz VRTSJEZBWBCPSH-SFHVURJKSA-N 0 3 356.470 2.410 10 0 FEAEHN Cc1ccc(OC[C@@H](O)CN2CCC(N(C)c3cccnn3)CC2)c(C)c1 ZINC000106083116 325577887 /nfs/dbraw/zinc/57/78/87/325577887.db2.gz WJAFQNJKJOOVSY-IBGZPJMESA-N 0 3 370.497 2.434 10 0 FEAEHN O=C(NCC1(N2CCSCC2)CCCCC1)N[C@@H]1CCCC[C@@H]1O ZINC000112217037 325761083 /nfs/dbraw/zinc/76/10/83/325761083.db2.gz KSCCILHKFUVKND-CVEARBPZSA-N 0 3 355.548 2.341 10 0 FEAEHN Cc1ccc(OCC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)cc1 ZINC000114414808 325891097 /nfs/dbraw/zinc/89/10/97/325891097.db2.gz KZUGJCHSDUTAGA-UHFFFAOYSA-N 0 3 368.481 2.179 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)CCc2cc(Br)cs2)CCO1 ZINC000116787053 326035280 /nfs/dbraw/zinc/03/52/80/326035280.db2.gz MYUZPSAABNSKEE-GFCCVEGCSA-N 0 3 361.305 2.232 10 0 FEAEHN Cc1ccc(-c2nc(CC(=O)N3CCO[C@@H](CN(C)C)C3)cs2)cc1 ZINC000116786340 326035362 /nfs/dbraw/zinc/03/53/62/326035362.db2.gz YSHDNRYEHFUFAP-KRWDZBQOSA-N 0 3 359.495 2.450 10 0 FEAEHN Cc1noc(C)c1COc1ccccc1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000116791691 326035620 /nfs/dbraw/zinc/03/56/20/326035620.db2.gz DBERBCQYKSWZPL-INIZCTEOSA-N 0 3 373.453 2.273 10 0 FEAEHN Cc1noc(C)c1COc1ccccc1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000116791687 326035788 /nfs/dbraw/zinc/03/57/88/326035788.db2.gz DBERBCQYKSWZPL-MRXNPFEDSA-N 0 3 373.453 2.273 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)CCc2ncc(-c3ccccc3F)o2)CCO1 ZINC000116797582 326036511 /nfs/dbraw/zinc/03/65/11/326036511.db2.gz UDKGWSHSYUWYBJ-CQSZACIVSA-N 0 3 361.417 2.202 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccsc2)CCO1 ZINC000116795881 326036790 /nfs/dbraw/zinc/03/67/90/326036790.db2.gz JIGHIJCCNVXOGG-OAHLLOKOSA-N 0 3 373.478 2.403 10 0 FEAEHN CC[C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CCN1CCOC ZINC000117309437 326056861 /nfs/dbraw/zinc/05/68/61/326056861.db2.gz RHKGDVIPCQSFIM-HXUWFJFHSA-N 0 3 359.514 2.465 10 0 FEAEHN C[C@@H](NC(=O)C[C@H](N)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000119255186 326142140 /nfs/dbraw/zinc/14/21/40/326142140.db2.gz GGOLPKFSRODEOM-WBMJQRKESA-N 0 3 364.442 2.497 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000119960966 326216097 /nfs/dbraw/zinc/21/60/97/326216097.db2.gz NDJZHOUOYQYVRA-CYBMUJFWSA-N 0 3 360.380 2.263 10 0 FEAEHN CCC[C@@H](C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)N(C)C ZINC000120083569 326228765 /nfs/dbraw/zinc/22/87/65/326228765.db2.gz AUWLUQRGHTYYJR-HNNXBMFYSA-N 0 3 369.531 2.110 10 0 FEAEHN CCN1CCN([C@H](C)CNC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000246007489 328583605 /nfs/dbraw/zinc/58/36/05/328583605.db2.gz GTJGHJCZDUJYFP-KBMXLJTQSA-N 0 3 351.441 2.211 10 0 FEAEHN c1ccc(N2CCOCC2)c(CN2CCC(Nc3cccnn3)CC2)c1 ZINC000120322539 326249634 /nfs/dbraw/zinc/24/96/34/326249634.db2.gz ZOMPCKSSABUREN-UHFFFAOYSA-N 0 3 353.470 2.390 10 0 FEAEHN COCCN1CCN(Cc2cc(C)c(OCC(=O)OC)c(C)c2)C[C@H]1C ZINC000120857733 326293793 /nfs/dbraw/zinc/29/37/93/326293793.db2.gz IBEGLTGNWRSNPG-QGZVFWFLSA-N 0 3 364.486 2.008 10 0 FEAEHN CC1(C)C[C@@H](NC(=O)NC[C@@H](O)CN2CCCCC2)c2ccccc2O1 ZINC000121068458 326310795 /nfs/dbraw/zinc/31/07/95/326310795.db2.gz JFIULZYEQXQRIV-NVXWUHKLSA-N 0 3 361.486 2.435 10 0 FEAEHN CCc1nn(C)c(Cl)c1CN(C)C1CCN(CCn2cccn2)CC1 ZINC000121192894 326320278 /nfs/dbraw/zinc/32/02/78/326320278.db2.gz JABAIGOYDHBCJY-UHFFFAOYSA-N 0 3 364.925 2.429 10 0 FEAEHN O=C1CCCCN1CC1CCN(C[C@H](O)COCc2ccccc2)CC1 ZINC000122177109 326386892 /nfs/dbraw/zinc/38/68/92/326386892.db2.gz FLGQYBUPJFVWMA-FQEVSTJZSA-N 0 3 360.498 2.289 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2c3c(sc2-n2cccc2)CCC3)CCO1 ZINC000135015936 326634975 /nfs/dbraw/zinc/63/49/75/326634975.db2.gz JIGODZQEMSTXMM-AWEZNQCLSA-N 0 3 359.495 2.430 10 0 FEAEHN CCC[C@@H](C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)N(C)C ZINC000136456250 326652875 /nfs/dbraw/zinc/65/28/75/326652875.db2.gz GYYFPBSOFUSAEE-KRWDZBQOSA-N 0 3 365.905 2.284 10 0 FEAEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)[C@@H]1CCCCO1 ZINC000152540790 326710085 /nfs/dbraw/zinc/71/00/85/326710085.db2.gz UUGLKBYSYWOUSH-UXHICEINSA-N 0 3 360.498 2.460 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2COc2ccccc2)C1 ZINC000170843425 327102287 /nfs/dbraw/zinc/10/22/87/327102287.db2.gz KFGYCRDONHUXKP-QGZVFWFLSA-N 0 3 367.449 2.367 10 0 FEAEHN COc1ccc(NC(=O)CCN2CCC(N(C)c3cccnn3)CC2)cc1 ZINC000170941067 327108452 /nfs/dbraw/zinc/10/84/52/327108452.db2.gz GMEQTWOXPTZOHO-UHFFFAOYSA-N 0 3 369.469 2.415 10 0 FEAEHN O=C(c1csc(-c2ccc3c(c2)OCO3)n1)N1CCN2CCC[C@H]2C1 ZINC000171089950 327117119 /nfs/dbraw/zinc/11/71/19/327117119.db2.gz DDTBLVPOGJVCLI-ZDUSSCGKSA-N 0 3 357.435 2.459 10 0 FEAEHN Cc1cc(C(=O)NC2CCN(C[C@H](O)COC(C)(C)C)CC2)c(C)o1 ZINC000171240237 327127028 /nfs/dbraw/zinc/12/70/28/327127028.db2.gz GIDSGPLFTPWWFA-INIZCTEOSA-N 0 3 352.475 2.267 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccc(I)c(F)c2)C1 ZINC000171508385 327143100 /nfs/dbraw/zinc/14/31/00/327143100.db2.gz OMVUYMZJCDUXSN-SNVBAGLBSA-N 0 3 362.186 2.206 10 0 FEAEHN COc1ccccc1[C@H](CNC(=O)N1CCN2CCC[C@@H]2C1)N1CCCC1 ZINC000171897983 327168032 /nfs/dbraw/zinc/16/80/32/327168032.db2.gz MSFFBQLKUAYRGU-MJGOQNOKSA-N 0 3 372.513 2.322 10 0 FEAEHN CC(C)NC(=O)Nc1ccc(CNC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000171901871 327168825 /nfs/dbraw/zinc/16/88/25/327168825.db2.gz IJWFSEBNTQCRFN-QGZVFWFLSA-N 0 3 359.474 2.206 10 0 FEAEHN O=C(NCCOc1cccc(Br)c1)N1CCN2CCC[C@@H]2C1 ZINC000171903729 327169083 /nfs/dbraw/zinc/16/90/83/327169083.db2.gz HUEPNMMPWKFQQI-CQSZACIVSA-N 0 3 368.275 2.318 10 0 FEAEHN CN1CCC[C@@H](CNC(=O)N2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000172586630 327209828 /nfs/dbraw/zinc/20/98/28/327209828.db2.gz XPNIBQYCRAFSOY-HNNXBMFYSA-N 0 3 357.458 2.001 10 0 FEAEHN COc1cccc(-c2noc([C@@H](C)NC(=O)N3CC[C@@H](N(C)C)C3)n2)c1 ZINC000173520382 327263418 /nfs/dbraw/zinc/26/34/18/327263418.db2.gz TUQHXFXFAXEMLK-TZMCWYRMSA-N 0 3 359.430 2.152 10 0 FEAEHN Cc1ccc([C@@H](CN[C@H](C)C(=O)NCC(C)C)N2CCOCC2)s1 ZINC000173646201 327273389 /nfs/dbraw/zinc/27/33/89/327273389.db2.gz WNRBCIZVBVZZKL-HZPDHXFCSA-N 0 3 353.532 2.180 10 0 FEAEHN C[C@@H](NC(=O)NC[C@@H](O)CN1CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000173654889 327273852 /nfs/dbraw/zinc/27/38/52/327273852.db2.gz JQJGKUVOSLNUKC-VQIMIIECSA-N 0 3 371.485 2.079 10 0 FEAEHN COCCN1CCN(C(=O)c2oc3ccccc3c2CN(C)C)C[C@H]1C ZINC000173663608 327274750 /nfs/dbraw/zinc/27/47/50/327274750.db2.gz WDVXITVSHWDCQS-OAHLLOKOSA-N 0 3 359.470 2.287 10 0 FEAEHN Clc1cccc(-c2noc(CCN3CC[C@H](N4CCOCC4)C3)n2)c1 ZINC000173952608 327297190 /nfs/dbraw/zinc/29/71/90/327297190.db2.gz CLFQJINJWICITJ-INIZCTEOSA-N 0 3 362.861 2.339 10 0 FEAEHN C[C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@@H]1N1CCOCC1 ZINC000173961724 327298282 /nfs/dbraw/zinc/29/82/82/327298282.db2.gz SPSIBDQFGYZCMV-XLIONFOSSA-N 0 3 357.498 2.075 10 0 FEAEHN O=C(CCN1CCN(c2ccccc2)CC1)N[C@H]1COc2ccccc21 ZINC000174380224 327323208 /nfs/dbraw/zinc/32/32/08/327323208.db2.gz WYNIXXNTOJERDC-IBGZPJMESA-N 0 3 351.450 2.449 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CNCC(C)(C)C[C@@H](C)O ZINC000174465482 327328371 /nfs/dbraw/zinc/32/83/71/327328371.db2.gz RRHOGYWACYWZBA-OAHLLOKOSA-N 0 3 352.523 2.267 10 0 FEAEHN COc1cccc(NC(=O)CCN2CCC(Nc3cccnn3)CC2)c1 ZINC000174781229 327350455 /nfs/dbraw/zinc/35/04/55/327350455.db2.gz VSAPNWHPJNIYMV-UHFFFAOYSA-N 0 3 355.442 2.390 10 0 FEAEHN COc1cccc(NC(=O)CCN2CCCN(c3cccnn3)CC2)c1 ZINC000174780916 327350557 /nfs/dbraw/zinc/35/05/57/327350557.db2.gz GSKCJJYCZMPBHB-UHFFFAOYSA-N 0 3 355.442 2.026 10 0 FEAEHN C[C@H](CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)N1CCOCC1 ZINC000175010394 327367805 /nfs/dbraw/zinc/36/78/05/327367805.db2.gz FYABSNUKBSQNAY-RBUKOAKNSA-N 0 3 374.529 2.013 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000175351273 327388584 /nfs/dbraw/zinc/38/85/84/327388584.db2.gz STGLWRPKQYVMAY-GOSISDBHSA-N 0 3 358.486 2.168 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@H](C)C(=O)N[C@H](C)c1ccccc1C)CC2 ZINC000246540291 328625834 /nfs/dbraw/zinc/62/58/34/328625834.db2.gz HPOJTPCKVONWFX-BZUAXINKSA-N 0 3 355.486 2.319 10 0 FEAEHN COc1cc([C@H](C)NC(=O)C2(N)CCOCC2)ccc1OCC(C)C ZINC000261952437 328831419 /nfs/dbraw/zinc/83/14/19/328831419.db2.gz ZCIAPFFIBYVLIJ-AWEZNQCLSA-N 0 3 350.459 2.415 10 0 FEAEHN CC(C)c1ccc(N2CC[C@@H](c3nc([C@@H]4CNCCN4C)no3)C2=O)cc1 ZINC000263218822 328926127 /nfs/dbraw/zinc/92/61/27/328926127.db2.gz LMLHUVIIARQWEC-IRXDYDNUSA-N 0 3 369.469 2.290 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2cnn(Cc3ccccc3Cl)c2)n1 ZINC000263248393 328928027 /nfs/dbraw/zinc/92/80/27/328928027.db2.gz PNKZYUWFMAJXEW-OAHLLOKOSA-N 0 3 358.833 2.211 10 0 FEAEHN CCN1CCC[C@H](NC(=O)C[C@@H](NC(C)=O)c2ccc(F)cc2F)C1 ZINC000247549147 549354933 /nfs/dbraw/zinc/35/49/33/549354933.db2.gz YQMPJNXPZCKZOO-WMLDXEAASA-N 0 3 353.413 2.133 10 0 FEAEHN CCn1cnnc1C1CCN(C[C@H](O)COCc2cccs2)CC1 ZINC000155385551 545519781 /nfs/dbraw/zinc/51/97/81/545519781.db2.gz GWLNJOHWTDPWFS-HNNXBMFYSA-N 0 3 350.488 2.117 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCc1cccc(CN(C)C)c1)CC2 ZINC000156610122 545639751 /nfs/dbraw/zinc/63/97/51/545639751.db2.gz YOJNSSADBVBOLK-QGZVFWFLSA-N 0 3 370.501 2.277 10 0 FEAEHN O=C1CCCN1C[C@@H](O)CN(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000157228297 545714776 /nfs/dbraw/zinc/71/47/76/545714776.db2.gz HBRQULGDQJMUKF-FQEVSTJZSA-N 0 3 371.456 2.249 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NCC2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000157378996 545734413 /nfs/dbraw/zinc/73/44/13/545734413.db2.gz YAZBHTAGVGRIKH-IBGZPJMESA-N 0 3 372.513 2.322 10 0 FEAEHN Cc1ccc(C(=O)NC2CCN(C[C@@H](O)COC(C)(C)C)CC2)s1 ZINC000158049018 545816203 /nfs/dbraw/zinc/81/62/03/545816203.db2.gz HAZCYAGGLVBPAA-OAHLLOKOSA-N 0 3 354.516 2.427 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000159283743 545939468 /nfs/dbraw/zinc/93/94/68/545939468.db2.gz FAWCFDKBLUHBRW-CABCVRRESA-N 0 3 365.909 2.439 10 0 FEAEHN CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)NC[C@H]2CCCN2CC(C)C)C1 ZINC000159442124 545954573 /nfs/dbraw/zinc/95/45/73/545954573.db2.gz RGHUPQYKSLMACU-IVZYZONNSA-N 0 3 357.564 2.486 10 0 FEAEHN O=C(NCc1ccc(OCC(F)(F)F)nc1)N1CCN2CCC[C@H]2C1 ZINC000171900494 546229894 /nfs/dbraw/zinc/22/98/94/546229894.db2.gz NFBWJGMJGBSGLJ-ZDUSSCGKSA-N 0 3 358.364 2.012 10 0 FEAEHN CCC(CC)c1cc(CNC(=O)NC[C@H](O)CN2CCCCC2)on1 ZINC000175903640 546369144 /nfs/dbraw/zinc/36/91/44/546369144.db2.gz DALNLSMRXGTOHE-HNNXBMFYSA-N 0 3 352.479 2.224 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCCNC(=O)CC1CCCCC1 ZINC000176299328 546429589 /nfs/dbraw/zinc/42/95/89/546429589.db2.gz QGWQTDBDQYNPNI-KRWDZBQOSA-N 0 3 352.523 2.199 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1cccc(OCC(=O)N(C)C)c1 ZINC000176307880 546429956 /nfs/dbraw/zinc/42/99/56/546429956.db2.gz LFYRWJCLGPIARB-MRXNPFEDSA-N 0 3 362.474 2.102 10 0 FEAEHN CC(C)(CNC(=O)N[C@@H]1CCCn2ncnc21)N1CCc2ccccc2C1 ZINC000176415162 546442679 /nfs/dbraw/zinc/44/26/79/546442679.db2.gz NSWSOSRHGWBBJK-QGZVFWFLSA-N 0 3 368.485 2.249 10 0 FEAEHN O=C(Nc1ccccc1CCC(F)(F)F)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000176662221 546473729 /nfs/dbraw/zinc/47/37/29/546473729.db2.gz NAAJEQYSTSBXID-CQSZACIVSA-N 0 3 369.387 2.427 10 0 FEAEHN C[C@@H](O)CN1CCN(Cc2ccc(SC(=O)N(C)C)cc2)C[C@H]1C ZINC000176916931 546507747 /nfs/dbraw/zinc/50/77/47/546507747.db2.gz KRTBLOTVGHMFAO-HUUCEWRRSA-N 0 3 351.516 2.347 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000177036411 546529622 /nfs/dbraw/zinc/52/96/22/546529622.db2.gz ZJVCPRFBYOQYGJ-LJQANCHMSA-N 0 3 357.498 2.482 10 0 FEAEHN C[C@H]1CN(Cc2ccc(OCc3nccn3C)cc2)C[C@@H]1N1CCOCC1 ZINC000177259153 546581276 /nfs/dbraw/zinc/58/12/76/546581276.db2.gz RGKXETYMXORXAF-PXNSSMCTSA-N 0 3 370.497 2.152 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000177326710 546595232 /nfs/dbraw/zinc/59/52/32/546595232.db2.gz IZSOYJSPJTYHCF-PMACEKPBSA-N 0 3 374.529 2.186 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1ccc(-n2ccnc2C)nc1 ZINC000177396360 546610011 /nfs/dbraw/zinc/61/00/11/546610011.db2.gz NZXIAKHFULIBRL-KRWDZBQOSA-N 0 3 356.474 2.201 10 0 FEAEHN CCc1ccccc1Nc1nc(N)nc(CN2CCN3CCC[C@@H]3C2)n1 ZINC000178638641 546826089 /nfs/dbraw/zinc/82/60/89/546826089.db2.gz GCTHGHGOYLWIQL-OAHLLOKOSA-N 0 3 353.474 2.040 10 0 FEAEHN O=C(N1CCN2CCC[C@H]2C1)C1(c2ccc(F)cc2F)CCOCC1 ZINC000179479722 546961664 /nfs/dbraw/zinc/96/16/64/546961664.db2.gz JUUGVVZWVHBKIW-HNNXBMFYSA-N 0 3 350.409 2.320 10 0 FEAEHN COc1ccc(NC(=O)C(=O)N[C@@H](C)CN(C)Cc2ccccc2)cc1 ZINC000179708354 547001848 /nfs/dbraw/zinc/00/18/48/547001848.db2.gz XXKJSOPAMMGUKO-HNNXBMFYSA-N 0 3 355.438 2.270 10 0 FEAEHN CCN1CCC(n2nccc2NC(=O)C(=O)N[C@@H](C)c2ccc(C)o2)CC1 ZINC000179805561 547014923 /nfs/dbraw/zinc/01/49/23/547014923.db2.gz GFYMUCDTRSKQOT-AWEZNQCLSA-N 0 3 373.457 2.257 10 0 FEAEHN C[C@@H](CC(=O)Nc1cccc(Br)c1)NC[C@H]1CN(C)CCO1 ZINC000180492453 547119387 /nfs/dbraw/zinc/11/93/87/547119387.db2.gz YIVISTNVGVCZQZ-WFASDCNBSA-N 0 3 370.291 2.086 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ccnn1C(C)(C)C ZINC000180903202 547206466 /nfs/dbraw/zinc/20/64/66/547206466.db2.gz GOWBRKNRWNDLCK-HNNXBMFYSA-N 0 3 371.485 2.213 10 0 FEAEHN COCc1cccc(NC(=O)C(=O)N[C@@H](C)CN(C)Cc2ccccc2)c1 ZINC000180907342 547207419 /nfs/dbraw/zinc/20/74/19/547207419.db2.gz QNMKUEYONZDWOZ-INIZCTEOSA-N 0 3 369.465 2.408 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CNCC[C@@H]1CCCCO1 ZINC000181259543 547281709 /nfs/dbraw/zinc/28/17/09/547281709.db2.gz WPDUPDZLUYRQQR-INIZCTEOSA-N 0 3 350.507 2.429 10 0 FEAEHN CC(C)c1nnc2n1C[C@H](NC(=O)N(CCN(C)C)Cc1ccco1)CC2 ZINC000181714798 547365910 /nfs/dbraw/zinc/36/59/10/547365910.db2.gz SMHQNNMALFXBRS-OAHLLOKOSA-N 0 3 374.489 2.083 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)CN(C)C(=O)c1cccs1 ZINC000182528385 547508680 /nfs/dbraw/zinc/50/86/80/547508680.db2.gz AUGIIFQFYVERFW-HNNXBMFYSA-N 0 3 359.495 2.457 10 0 FEAEHN C[C@@H](NCC(=O)Nc1ccccc1C(=O)NCc1ccco1)[C@H]1CCCO1 ZINC000183121305 547605635 /nfs/dbraw/zinc/60/56/35/547605635.db2.gz QYYWLUBCLIQPCI-RDTXWAMCSA-N 0 3 371.437 2.305 10 0 FEAEHN CCO[C@@H]1C[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)C12CCOCC2 ZINC000185695254 548021262 /nfs/dbraw/zinc/02/12/62/548021262.db2.gz KVXFNVQCVYJQDP-QZTJIDSGSA-N 0 3 365.518 2.230 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@H](Cc1ccc(Cl)cc1)C(N)=O)CC2 ZINC000185925935 548060122 /nfs/dbraw/zinc/06/01/22/548060122.db2.gz WBIVTNCEILGCSP-LSDHHAIUSA-N 0 3 361.877 2.056 10 0 FEAEHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H](C)c1ccccc1C ZINC000186604268 548158008 /nfs/dbraw/zinc/15/80/08/548158008.db2.gz XOBVHTMYRXKVJW-AWEZNQCLSA-N 0 3 364.515 2.409 10 0 FEAEHN CCCCN(C)C(=O)C1CCN(C(=O)N[C@@H]2CCCN(CC)C2)CC1 ZINC000194170055 548444447 /nfs/dbraw/zinc/44/44/47/548444447.db2.gz CYOGYVMHMWTZAE-QGZVFWFLSA-N 0 3 352.523 2.151 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(CC(=O)N(C)CC2CC2)C1 ZINC000195255661 548604879 /nfs/dbraw/zinc/60/48/79/548604879.db2.gz RDCVBKUEAJPOLB-INIZCTEOSA-N 0 3 350.532 2.074 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(CC(=O)N(C)Cc2ccccc2)C1 ZINC000195281949 548610782 /nfs/dbraw/zinc/61/07/82/548610782.db2.gz HGSPMGGXOLNSLA-NRFANRHFSA-N 0 3 366.509 2.494 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(Cc2cc(=O)n3ccccc3n2)C1 ZINC000195288184 548613848 /nfs/dbraw/zinc/61/38/48/548613848.db2.gz IKILUSXZGJJSFH-SFHVURJKSA-N 0 3 363.465 2.043 10 0 FEAEHN CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000195339047 548627809 /nfs/dbraw/zinc/62/78/09/548627809.db2.gz IIXDBOKCWAFPHT-MRXNPFEDSA-N 0 3 351.491 2.330 10 0 FEAEHN CCC[C@@H](N)C(=O)N1CCN([C@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000236932204 548789636 /nfs/dbraw/zinc/78/96/36/548789636.db2.gz YGTDTUXPYQSPGQ-NVXWUHKLSA-N 0 3 371.485 2.378 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H](c1ccccc1F)N1CCOCC1 ZINC000245438268 548920401 /nfs/dbraw/zinc/92/04/01/548920401.db2.gz XRFKFSUXSVPEOU-LPHOPBHVSA-N 0 3 363.477 2.142 10 0 FEAEHN CCN1CCC[C@H]1CN(C)[C@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000245458472 548926619 /nfs/dbraw/zinc/92/66/19/548926619.db2.gz CWNYMIHTWLBXHE-MSOLQXFVSA-N 0 3 374.529 2.163 10 0 FEAEHN CCN1CCC[C@H]1CN(C)CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000245467684 548928652 /nfs/dbraw/zinc/92/86/52/548928652.db2.gz KBWXUSUVJPLXFL-QUCCMNQESA-N 0 3 358.530 2.045 10 0 FEAEHN COCc1nnc(-c2cccc(C(=O)N[C@@H]3CN(C(C)C)C[C@@H]3C)c2)o1 ZINC000245604623 548956141 /nfs/dbraw/zinc/95/61/41/548956141.db2.gz HJDHBGOWXNVUPU-XJKSGUPXSA-N 0 3 358.442 2.342 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000245755397 548989512 /nfs/dbraw/zinc/98/95/12/548989512.db2.gz HLHAYWFFSOQDRA-XYPHTWIQSA-N 0 3 352.429 2.056 10 0 FEAEHN CN1CC[C@H](NC(=O)N2CCN3CCC[C@@H]3C2)[C@H]1c1ccc(F)c(F)c1 ZINC000245765954 548992671 /nfs/dbraw/zinc/99/26/71/548992671.db2.gz JJGGPZXPBOCRHI-FHLIZLRMSA-N 0 3 364.440 2.200 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000245838595 549001430 /nfs/dbraw/zinc/00/14/30/549001430.db2.gz JDQYUFHBTUPKLW-FUHWJXTLSA-N 0 3 355.486 2.440 10 0 FEAEHN CCc1csc([C@@H]2CCCN(C[C@@H](O)COC3CCOCC3)C2)n1 ZINC000245871288 549008013 /nfs/dbraw/zinc/00/80/13/549008013.db2.gz OOHIQODCPIBARJ-GDBMZVCRSA-N 0 3 354.516 2.441 10 0 FEAEHN COc1ccc(NC(=O)c2nnc(CN3CCN4CCC[C@H]4C3)s2)cc1 ZINC000246332375 549107842 /nfs/dbraw/zinc/10/78/42/549107842.db2.gz LFHHMLRLLWNYRL-AWEZNQCLSA-N 0 3 373.482 2.079 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2N(C)C)C1 ZINC000246478212 549141152 /nfs/dbraw/zinc/14/11/52/549141152.db2.gz QMXBIEQILDLYMI-SWLSCSKDSA-N 0 3 366.893 2.189 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000246526481 549153509 /nfs/dbraw/zinc/15/35/09/549153509.db2.gz UOAXLNDXRIITGN-BXUZGUMPSA-N 0 3 355.385 2.071 10 0 FEAEHN Cc1coc(-c2cccc(NC(=O)C(=O)N[C@@H]3CN(C(C)C)C[C@H]3C)c2)n1 ZINC000246644438 549181552 /nfs/dbraw/zinc/18/15/52/549181552.db2.gz PACRFCDVRAIHOC-CXAGYDPISA-N 0 3 370.453 2.433 10 0 FEAEHN COC(=O)[C@]1(C)CCN(C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000246659350 549184173 /nfs/dbraw/zinc/18/41/73/549184173.db2.gz XUMPCFXNQMFNJB-CZUORRHYSA-N 0 3 372.259 2.074 10 0 FEAEHN CCOCCN1CCN(CCC(=O)Nc2ccc(OCC)cc2)C[C@H]1C ZINC000246870289 549232686 /nfs/dbraw/zinc/23/26/86/549232686.db2.gz LKRZFUMKLZJCKY-QGZVFWFLSA-N 0 3 363.502 2.457 10 0 FEAEHN O=C(C[C@@H]1CCCN1C[C@H](O)COC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000246939870 549247126 /nfs/dbraw/zinc/24/71/26/549247126.db2.gz UBOLFLGJQLWIGI-GBESFXJTSA-N 0 3 365.445 2.419 10 0 FEAEHN CC(C)COC(=O)N1CCC(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)CC1 ZINC000246962785 549252324 /nfs/dbraw/zinc/25/23/24/549252324.db2.gz DLCUKWONIOYEJG-WBVHZDCISA-N 0 3 351.491 2.186 10 0 FEAEHN CCCC(=O)N[C@H]1CCCN(C(=O)NCCN2CCCC[C@H]2CC)C1 ZINC000247075999 549279177 /nfs/dbraw/zinc/27/91/77/549279177.db2.gz YXCUPDXHVLVVPX-DLBZAZTESA-N 0 3 352.523 2.341 10 0 FEAEHN Cc1cccc(NC(=O)CSCC(=O)N2C[C@H]3CCCN3C[C@H]2C)c1 ZINC000247134888 549289597 /nfs/dbraw/zinc/28/95/97/549289597.db2.gz JNRKCEMNUGBSGD-NVXWUHKLSA-N 0 3 361.511 2.362 10 0 FEAEHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H]2c2ccco2)CC1=O ZINC000247267140 549308409 /nfs/dbraw/zinc/30/84/09/549308409.db2.gz QYAIMAAEXDZLCX-BBWFWOEESA-N 0 3 359.470 2.276 10 0 FEAEHN CC(=O)Nc1ccc(OC[C@H](O)CN2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000248163121 549413483 /nfs/dbraw/zinc/41/34/83/549413483.db2.gz SLOABCGCXMPQDU-POAQFYNOSA-N 0 3 362.470 2.012 10 0 FEAEHN CC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1Cl ZINC000248384625 549424446 /nfs/dbraw/zinc/42/44/46/549424446.db2.gz FOOBMOWJPAWIKL-MEDUHNTESA-N 0 3 365.861 2.326 10 0 FEAEHN CC[C@@H]1CN(Cc2cc(C(=O)OC)ccc2Cl)CCN1C[C@H](C)O ZINC000248394200 549427364 /nfs/dbraw/zinc/42/73/64/549427364.db2.gz FFWINOVWFORGCX-XJKSGUPXSA-N 0 3 354.878 2.404 10 0 FEAEHN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)C1 ZINC000248633716 549472425 /nfs/dbraw/zinc/47/24/25/549472425.db2.gz JCARJPODGBTSCK-YESZJQIVSA-N 0 3 353.507 2.478 10 0 FEAEHN COc1ccccc1S(=O)(=O)CCCN1C[C@@H]2CCCN2C[C@H]1C ZINC000248637960 549474467 /nfs/dbraw/zinc/47/44/67/549474467.db2.gz VUVOWYAYNUQDEM-CVEARBPZSA-N 0 3 352.500 2.028 10 0 FEAEHN CCCCOC[C@H](O)CN[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000248661251 549479280 /nfs/dbraw/zinc/47/92/80/549479280.db2.gz WYXCWLQXCMWCLE-RYRKJORJSA-N 0 3 354.878 2.379 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1nc(C(C)C)cs1 ZINC000248685345 549483953 /nfs/dbraw/zinc/48/39/53/549483953.db2.gz SZLAQTFKDXAMRG-STQMWFEESA-N 0 3 350.488 2.290 10 0 FEAEHN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)C1 ZINC000248833426 549509421 /nfs/dbraw/zinc/50/94/21/549509421.db2.gz MZJRZUNYASACSB-GPMSIDNRSA-N 0 3 353.507 2.336 10 0 FEAEHN CCCNC(=O)[C@H](C)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000249040116 549541765 /nfs/dbraw/zinc/54/17/65/549541765.db2.gz NBOHVZCHCCRROI-JKSUJKDBSA-N 0 3 355.523 2.029 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000249180463 549565477 /nfs/dbraw/zinc/56/54/77/549565477.db2.gz NCMSSAQWARBVOA-DOMZBBRYSA-N 0 3 369.387 2.425 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000249244942 549571980 /nfs/dbraw/zinc/57/19/80/549571980.db2.gz XDCWFIHFJNNEBU-RDJZCZTQSA-N 0 3 364.449 2.382 10 0 FEAEHN CC(C)OCc1ccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1 ZINC000249263637 549574184 /nfs/dbraw/zinc/57/41/84/549574184.db2.gz ZGGKNDRTECBFJF-QAPCUYQASA-N 0 3 359.470 2.245 10 0 FEAEHN CC[C@@H]1CN(Cc2cnn(Cc3ccc(F)cc3)c2)CCN1C[C@H](C)O ZINC000249499035 549596036 /nfs/dbraw/zinc/59/60/36/549596036.db2.gz HGYSTUNAILCZTG-OXJNMPFZSA-N 0 3 360.477 2.348 10 0 FEAEHN COCC[C@@H](C)NC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000251438664 549646241 /nfs/dbraw/zinc/64/62/41/549646241.db2.gz CGYLXUSDSKJARN-HIFRSBDPSA-N 0 3 354.520 2.340 10 0 FEAEHN COC[C@@H](NC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1)C1CC1 ZINC000251855033 549655234 /nfs/dbraw/zinc/65/52/34/549655234.db2.gz QYOOVCHLBUTUBT-GOEBONIOSA-N 0 3 366.531 2.340 10 0 FEAEHN COc1cccc(Oc2ccc(CNC(=O)[C@H](N)C3CCOCC3)cn2)c1 ZINC000261884853 549765876 /nfs/dbraw/zinc/76/58/76/549765876.db2.gz UYJMMZSLKQYRAK-LJQANCHMSA-N 0 3 371.437 2.253 10 0 FEAEHN COc1ccc(-c2nc(Cc3noc(C4(CN)CCOCC4)n3)co2)cc1 ZINC000263163757 549882713 /nfs/dbraw/zinc/88/27/13/549882713.db2.gz FAOCLTGLOOCGND-UHFFFAOYSA-N 0 3 370.409 2.331 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2cnc(-c3ccc4c(c3)OCO4)s2)n1 ZINC000263271397 549890913 /nfs/dbraw/zinc/89/09/13/549890913.db2.gz SELFWVAKXPZUFW-NSHDSACASA-N 0 3 371.422 2.165 10 0 FEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@H]2C[C@H](C)CN(Cc3ccccc3)C2)C1 ZINC000263468662 549903375 /nfs/dbraw/zinc/90/33/75/549903375.db2.gz DCKOIGYKTAVWDG-VHBXLISGSA-N 0 3 359.514 2.424 10 0 FEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@H]2C[C@H](C)CN(Cc3ccccc3)C2)C1 ZINC000263468662 549903378 /nfs/dbraw/zinc/90/33/78/549903378.db2.gz DCKOIGYKTAVWDG-VHBXLISGSA-N 0 3 359.514 2.424 10 0 FEAEHN COc1ccc2oc(CN[C@@H]3CCC(=O)N[C@H]3c3cncn3C)cc2c1 ZINC000284411802 551543493 /nfs/dbraw/zinc/54/34/93/551543493.db2.gz CCILAJHMHGSEBY-DNVCBOLYSA-N 0 3 354.410 2.284 10 0 FEAEHN CN(C)C(=O)COC[C@H]1CN(Cc2cccc3[nH]ccc32)CC(C)(C)O1 ZINC000284588990 551584229 /nfs/dbraw/zinc/58/42/29/551584229.db2.gz PZAFUEHUFCYSBV-MRXNPFEDSA-N 0 3 359.470 2.252 10 0 FEAEHN O=C(NCc1ncc[nH]1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000284755295 551625407 /nfs/dbraw/zinc/62/54/07/551625407.db2.gz DLAZAYRZULRMIR-ZIAGYGMSSA-N 0 3 352.360 2.336 10 0 FEAEHN CCc1cc(N2CCN(C[C@@H](C)O)[C@@H](CC)C2)nc(-c2ccccn2)n1 ZINC000301201573 553630707 /nfs/dbraw/zinc/63/07/07/553630707.db2.gz NEHIVYLKYFEUSI-WBVHZDCISA-N 0 3 355.486 2.382 10 0 FEAEHN C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)[C@@H]1C ZINC000375469061 558032785 /nfs/dbraw/zinc/03/27/85/558032785.db2.gz LGEWHBDHWNTHNV-QFIAKTPHSA-N 0 3 352.519 2.179 10 0 FEAEHN O=C(NC[C@@H]1CN(Cc2ccc[nH]2)CC12CCOCC2)c1cccnc1 ZINC000409421387 558690750 /nfs/dbraw/zinc/69/07/50/558690750.db2.gz ZRTIIHVEKHGCHM-QGZVFWFLSA-N 0 3 354.454 2.068 10 0 FEAEHN Cn1nc(Br)cc1C1=C[C@H](N)CN(C(=O)OC(C)(C)C)C1 ZINC000675078659 571272724 /nfs/dbraw/zinc/27/27/24/571272724.db2.gz RCHJUCCZXGTJLN-JTQLQIEISA-N 0 3 357.252 2.144 10 0 FEAEHN Cc1ccc(OC[C@H](O)CN[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000025695794 670064022 /nfs/dbraw/zinc/06/40/22/670064022.db2.gz ZSVMTZQJDLKALR-NVXWUHKLSA-N 0 3 363.479 2.489 10 0 FEAEHN O=C(Nc1nnc(C2CCCCC2)s1)N1C[C@@H](O)[C@@H](N2CCCC2)C1 ZINC000072306029 670495728 /nfs/dbraw/zinc/49/57/28/670495728.db2.gz OAESIMMNXNGIEP-UONOGXRCSA-N 0 3 365.503 2.259 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000160308344 672290102 /nfs/dbraw/zinc/29/01/02/672290102.db2.gz QVWIISPZWWMGIN-OAHLLOKOSA-N 0 3 364.467 2.192 10 0 FEAEHN CC(C)Cc1ccc([C@@H](C)NCCNS(=O)(=O)c2cnn(C)c2)cc1 ZINC000181406891 672426554 /nfs/dbraw/zinc/42/65/54/672426554.db2.gz HJASYRYUTZQPIZ-OAHLLOKOSA-N 0 3 364.515 2.248 10 0 FEAEHN CN(Cc1ccc(Cl)cc1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000193117817 672713310 /nfs/dbraw/zinc/71/33/10/672713310.db2.gz SHBVPUWWNVGPPB-OAHLLOKOSA-N 0 3 358.825 2.429 10 0 FEAEHN CCCN(CCN1CCOCC1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000022859608 210235676 /nfs/dbraw/zinc/23/56/76/210235676.db2.gz CIADKMAFCFZSSP-KRWDZBQOSA-N 0 3 356.894 2.124 10 0 FEAEHN O[C@H](CNC[C@H](O)[C@@H]1CCc2ccccc2O1)[C@@H]1CCc2ccccc2O1 ZINC000006117269 539422053 /nfs/dbraw/zinc/42/20/53/539422053.db2.gz QSCYKSXNGYFRFZ-UDKICSLYSA-N 0 3 369.461 2.085 10 0 in-vitro FEAEHN CCN(CC)[C@@H](C)CNC(=O)c1nn(-c2ccccc2F)c(C)cc1=O ZINC000041915282 540039696 /nfs/dbraw/zinc/03/96/96/540039696.db2.gz TWZIGLFJUPGOBO-AWEZNQCLSA-N 0 3 360.433 2.140 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)Nc1cccc(NC(=O)C2CC2)c1 ZINC000044087624 540118252 /nfs/dbraw/zinc/11/82/52/540118252.db2.gz VWHOKHCZZIYYOH-KRWDZBQOSA-N 0 3 360.458 2.003 10 0 FEAEHN COc1ccc(F)cc1[C@@H](C)NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000046337138 540252938 /nfs/dbraw/zinc/25/29/38/540252938.db2.gz QLQZRGRGPZALHD-UKRRQHHQSA-N 0 3 353.438 2.041 10 0 FEAEHN O=C(NCc1ccc(C(F)(F)F)cc1)NC[C@H](O)CN1CCCCC1 ZINC000049189614 540384149 /nfs/dbraw/zinc/38/41/49/540384149.db2.gz GUPXRXKDCDMPGX-HNNXBMFYSA-N 0 3 359.392 2.351 10 0 FEAEHN COc1ccc([C@H](NC(=O)NC[C@H](O)CN2CCCCC2)C2CC2)cc1 ZINC000049175787 540384223 /nfs/dbraw/zinc/38/42/23/540384223.db2.gz RPXJASIOOGZHBT-PKOBYXMFSA-N 0 3 361.486 2.292 10 0 FEAEHN C[C@@H](NC(=O)NCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000049305778 540387031 /nfs/dbraw/zinc/38/70/31/540387031.db2.gz XWAGAXVNPRYXIP-QUCCMNQESA-N 0 3 374.529 2.061 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000247381270 549326594 /nfs/dbraw/zinc/32/65/94/549326594.db2.gz FMGSGYNIXSHVDC-QKPAOTATSA-N 0 3 351.491 2.375 10 0 FEAEHN CCN1CCC[C@@H]1CNC(=O)Cc1ccc2nc(NC(C)=O)sc2c1 ZINC000015861863 211146690 /nfs/dbraw/zinc/14/66/90/211146690.db2.gz TXCPPFLDRLMKRV-CQSZACIVSA-N 0 3 360.483 2.398 10 0 FEAEHN Cc1nc(N(C)C)ncc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000015778006 211143176 /nfs/dbraw/zinc/14/31/76/211143176.db2.gz AGJWHWJPLQNMFY-UHFFFAOYSA-N 0 3 353.470 2.245 10 0 FEAEHN CCNC(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](N(C)CCOC)CC2 ZINC000014742209 211101040 /nfs/dbraw/zinc/10/10/40/211101040.db2.gz JRJROTXASFVEQV-KRWDZBQOSA-N 0 3 370.497 2.117 10 0 FEAEHN COc1ccc(Cl)c(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)c1 ZINC000068330803 221315489 /nfs/dbraw/zinc/31/54/89/221315489.db2.gz JNRZWTNOWUDLBI-GFCCVEGCSA-N 0 3 355.866 2.380 10 0 FEAEHN Cc1ccc(NC(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1F ZINC000224313181 132283083 /nfs/dbraw/zinc/28/30/83/132283083.db2.gz KBPUJAQAUXVUCV-UHFFFAOYSA-N 0 3 358.421 2.344 10 0 FEAEHN Cc1nccn1-c1cncc(N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000091478876 542810006 /nfs/dbraw/zinc/81/00/06/542810006.db2.gz AMWBGBLBHVFHIC-HZPDHXFCSA-N 0 3 370.501 2.296 10 0 FEAEHN CN(C)C(=O)COc1ccccc1CN1CC[C@@H](CNc2ccccn2)C1 ZINC000092812728 542888031 /nfs/dbraw/zinc/88/80/31/542888031.db2.gz SZWZDQUUKZSFOG-KRWDZBQOSA-N 0 3 368.481 2.483 10 0 FEAEHN CN(C)C[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000096965403 543000752 /nfs/dbraw/zinc/00/07/52/543000752.db2.gz DYRZPSBBMOVFJX-KRWDZBQOSA-N 0 3 359.857 2.489 10 0 FEAEHN CCOCCN1CCN(C[C@H](O)Cn2cnc3cc(C)c(C)cc32)C[C@@H]1C ZINC000106110693 543200243 /nfs/dbraw/zinc/20/02/43/543200243.db2.gz CMLRGUDZIKRRDX-OALUTQOASA-N 0 3 374.529 2.057 10 0 FEAEHN COCCN1CCN(CCC(=O)Nc2ccccc2SC)C[C@H]1C ZINC000106108335 543200273 /nfs/dbraw/zinc/20/02/73/543200273.db2.gz BILIEUSYEFOIPU-OAHLLOKOSA-N 0 3 351.516 2.390 10 0 FEAEHN CCOCCN1CCN(C[C@H](O)COc2ccc(C)cc2C)C[C@H]1CC ZINC000106116579 543202513 /nfs/dbraw/zinc/20/25/13/543202513.db2.gz VOJOYVKUYBUZDX-UXHICEINSA-N 0 3 364.530 2.476 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000106770405 543245856 /nfs/dbraw/zinc/24/58/56/543245856.db2.gz QWWOEFWYAANORA-CQSZACIVSA-N 0 3 363.259 2.411 10 0 FEAEHN O=C(c1cccc(CN2CCCC2)c1)N1CCCN(c2cccnn2)CC1 ZINC000109629714 543329455 /nfs/dbraw/zinc/32/94/55/543329455.db2.gz BTVDPVHCXZKVPL-UHFFFAOYSA-N 0 3 365.481 2.425 10 0 FEAEHN Cc1cccc(CNC(=O)N(C)C2CCN(CCn3cccn3)CC2)c1 ZINC000109393329 543323617 /nfs/dbraw/zinc/32/36/17/543323617.db2.gz SAMCBFAXATZEQK-UHFFFAOYSA-N 0 3 355.486 2.498 10 0 FEAEHN O=C(NC[C@@H](O)CN1CCCCC1)NCC1(Sc2ccccc2)CC1 ZINC000109407105 543324046 /nfs/dbraw/zinc/32/40/46/543324046.db2.gz VHUPNUHANBUTSH-MRXNPFEDSA-N 0 3 363.527 2.457 10 0 FEAEHN C[C@@H](NC(=O)[C@H](C)NC[C@@H]1CN(C)CCO1)c1ccc2c(c1)CCCC2 ZINC000111690779 543411693 /nfs/dbraw/zinc/41/16/93/543411693.db2.gz SUXBVSXNVDJKOL-GQIGUUNPSA-N 0 3 359.514 2.051 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCCCNC(=O)c1cccc(F)c1 ZINC000111826770 543417855 /nfs/dbraw/zinc/41/78/55/543417855.db2.gz ROHUZOTUGADQBN-QGZVFWFLSA-N 0 3 366.481 2.221 10 0 FEAEHN CN(C)Cc1cccc(CNC(=O)N2CCO[C@@H](c3nccs3)C2)c1 ZINC000111823727 543417975 /nfs/dbraw/zinc/41/79/75/543417975.db2.gz KJIAUCZXHRBWMI-MRXNPFEDSA-N 0 3 360.483 2.488 10 0 FEAEHN C[C@H](NC[C@@H]1CN(C)CCO1)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000112548709 543451382 /nfs/dbraw/zinc/45/13/82/543451382.db2.gz SFYYEKMDJDMOKC-TWOQFEAHSA-N 0 3 355.482 2.326 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(Br)cnc1N(C)C ZINC000113227174 543478029 /nfs/dbraw/zinc/47/80/29/543478029.db2.gz HZPKNCVOHQXHNC-WCQYABFASA-N 0 3 367.291 2.219 10 0 FEAEHN Cc1ccc(CN2C[C@H](C(=O)N3C[C@@H]4CCCN4C[C@@H]3C)CC2=O)cc1 ZINC000113223557 543478039 /nfs/dbraw/zinc/47/80/39/543478039.db2.gz ZXZMYIXLCXTOGS-UHOSZYNNSA-N 0 3 355.482 2.039 10 0 FEAEHN CC(=O)c1ccc(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)cc1 ZINC000114539358 543522848 /nfs/dbraw/zinc/52/28/48/543522848.db2.gz WEGOVYFRKPVDPM-UHFFFAOYSA-N 0 3 366.465 2.308 10 0 FEAEHN CC(=O)c1c[nH]c(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)c1 ZINC000115157677 543553107 /nfs/dbraw/zinc/55/31/07/543553107.db2.gz AQQRWINDIFADTA-FQEVSTJZSA-N 0 3 369.465 2.393 10 0 FEAEHN CN(C)C[C@@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CCO1 ZINC000116900228 543619121 /nfs/dbraw/zinc/61/91/21/543619121.db2.gz AMEAXIKXMURRMF-LLVKDONJSA-N 0 3 367.298 2.086 10 0 FEAEHN O=C(NCc1ccccc1OC1CCC1)NC[C@@H](O)CN1CCCCC1 ZINC000118587228 543653311 /nfs/dbraw/zinc/65/33/11/543653311.db2.gz AWDJTHNFHVYONK-QGZVFWFLSA-N 0 3 361.486 2.264 10 0 FEAEHN CCOc1ccc(CN2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)cc1 ZINC000122606997 543713349 /nfs/dbraw/zinc/71/33/49/543713349.db2.gz BWAIGERUIJOOKF-NRFANRHFSA-N 0 3 361.530 2.312 10 0 FEAEHN COc1cccc([C@@H](CNC(=O)N2CCN3CCC[C@H]3C2)N2CCCC2)c1 ZINC000247487459 549342542 /nfs/dbraw/zinc/34/25/42/549342542.db2.gz KYFHTPQNVBEEEH-AZUAARDMSA-N 0 3 372.513 2.322 10 0 FEAEHN CC(=O)N[C@H]1CCCN(CCC(=O)Nc2cccc(Br)c2)C1 ZINC000123959747 543793582 /nfs/dbraw/zinc/79/35/82/543793582.db2.gz NKNHTTNFHNXOSB-HNNXBMFYSA-N 0 3 368.275 2.378 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)N1CCC[C@@H](NC(C)=O)C1)c1ccccc1 ZINC000126910478 543963133 /nfs/dbraw/zinc/96/31/33/543963133.db2.gz PNIBOVNPYLLWSR-RTBURBONSA-N 0 3 360.502 2.380 10 0 FEAEHN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000128890890 544078804 /nfs/dbraw/zinc/07/88/04/544078804.db2.gz ZSSVOXVLZWHSBE-XLIONFOSSA-N 0 3 372.513 2.308 10 0 FEAEHN COc1ccc(CN2CCO[C@H](CN(C)C)C2)cc1OCc1cccnc1 ZINC000128148296 544035485 /nfs/dbraw/zinc/03/54/85/544035485.db2.gz DQQDBPQFNURVBI-LJQANCHMSA-N 0 3 371.481 2.432 10 0 FEAEHN CS[C@H](C)CNC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000129175724 544095260 /nfs/dbraw/zinc/09/52/60/544095260.db2.gz FAQKIGKDJMKIOB-CRAIPNDOSA-N 0 3 365.543 2.483 10 0 FEAEHN COc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CCCN1CC(C)C ZINC000129491534 544114994 /nfs/dbraw/zinc/11/49/94/544114994.db2.gz VDZXXUSDCWGESD-CQSZACIVSA-N 0 3 351.422 2.009 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2cc(F)ccc2OC(F)F)[C@@H](C)C1 ZINC000131415404 544189457 /nfs/dbraw/zinc/18/94/57/544189457.db2.gz SMZKYSBZHWUVSF-GWCFXTLKSA-N 0 3 373.375 2.211 10 0 FEAEHN CCCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000131417426 544189656 /nfs/dbraw/zinc/18/96/56/544189656.db2.gz USUAXUWIKAFRJS-BBRMVZONSA-N 0 3 365.449 2.398 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CCCNC(=O)c1ccc(F)cc1 ZINC000098035858 222221062 /nfs/dbraw/zinc/22/10/62/222221062.db2.gz GJAMAZJHXMSESC-QGZVFWFLSA-N 0 3 351.466 2.428 10 0 FEAEHN CS(=O)(=O)c1ccccc1NC1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000132946433 544249339 /nfs/dbraw/zinc/24/93/39/544249339.db2.gz ZJAKNXCJULGKBV-SJORKVTESA-N 0 3 352.500 2.270 10 0 FEAEHN O=C(C[C@H]1CCCN1C[C@H](O)COC1CCOCC1)c1ccc(F)cc1 ZINC000134828304 544323000 /nfs/dbraw/zinc/32/30/00/544323000.db2.gz WPXPFHGTSUKYGY-MSOLQXFVSA-N 0 3 365.445 2.419 10 0 FEAEHN CCOc1ccccc1NC(=O)CCN1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000137129268 544385012 /nfs/dbraw/zinc/38/50/12/544385012.db2.gz UDNIZVXYCNBJRM-IAGOWNOFSA-N 0 3 363.502 2.191 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccccc2OCC2CC2)[C@@H](C)C1 ZINC000150792350 544472326 /nfs/dbraw/zinc/47/23/26/544472326.db2.gz WTULYXOUOBGPCV-YOEHRIQHSA-N 0 3 359.470 2.259 10 0 FEAEHN Cc1nc(Cl)ccc1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000151454889 544543817 /nfs/dbraw/zinc/54/38/17/544543817.db2.gz FFDCJZZSPIDAHH-UHFFFAOYSA-N 0 3 373.888 2.462 10 0 FEAEHN CN(C)[C@H](CNC(=O)N1CCC(Nc2cccnn2)CC1)c1ccccc1 ZINC000152834124 544701394 /nfs/dbraw/zinc/70/13/94/544701394.db2.gz HEZOPWKFDVWGLD-GOSISDBHSA-N 0 3 368.485 2.365 10 0 FEAEHN C[C@H](NC[C@@H](O)COCc1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000153766669 544820581 /nfs/dbraw/zinc/82/05/81/544820581.db2.gz VJWWMBPBMGEKPC-DZGCQCFKSA-N 0 3 369.508 2.380 10 0 FEAEHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000154037619 544856763 /nfs/dbraw/zinc/85/67/63/544856763.db2.gz COFRLJDAFWMMBO-HZPDHXFCSA-N 0 3 360.506 2.183 10 0 FEAEHN CN(C[C@H](O)COC(C)(C)C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000155167690 544997850 /nfs/dbraw/zinc/99/78/50/544997850.db2.gz OJSHBVMWVWLWGO-HOTGVXAUSA-N 0 3 356.532 2.229 10 0 FEAEHN COc1ccc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1Br ZINC000155074430 544985179 /nfs/dbraw/zinc/98/51/79/544985179.db2.gz AHDXVBQPGAUXGG-QWHCGFSZSA-N 0 3 357.292 2.345 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(OC)c(NC(C)=O)c1)CC2 ZINC000180623929 327694040 /nfs/dbraw/zinc/69/40/40/327694040.db2.gz ZEVXJXNDIBWHHS-IUODEOHRSA-N 0 3 357.458 2.473 10 0 FEAEHN CC(=O)Nc1ccc(Cl)c(NC(=O)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000181177704 327719367 /nfs/dbraw/zinc/71/93/67/327719367.db2.gz RWNZWOZXZAOGCI-ZDUSSCGKSA-N 0 3 354.838 2.093 10 0 FEAEHN CCCN1C(=O)CCc2cc(NC(=O)N3CCO[C@H](CN(C)C)C3)ccc21 ZINC000181481349 327732491 /nfs/dbraw/zinc/73/24/91/327732491.db2.gz RGLAPOXCABYGAV-QGZVFWFLSA-N 0 3 374.485 2.170 10 0 FEAEHN Cc1cc(N2CCC[C@@H](N[C@H](C)c3ccc4c(c3)OCCO4)C2=O)n(C)n1 ZINC000182350443 327771598 /nfs/dbraw/zinc/77/15/98/327771598.db2.gz FYQWPXCCNNGSHW-GDBMZVCRSA-N 0 3 370.453 2.346 10 0 FEAEHN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000186051322 327945036 /nfs/dbraw/zinc/94/50/36/327945036.db2.gz OXWJOEROULLGAD-IAGOWNOFSA-N 0 3 374.510 2.206 10 0 FEAEHN CNC(=O)[C@H]1CCCN1C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000187474256 328028362 /nfs/dbraw/zinc/02/83/62/328028362.db2.gz XLAKVNRUZWYVKA-ZWKOTPCHSA-N 0 3 360.502 2.063 10 0 FEAEHN Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[NH2+][C@H]2C)sc1Br ZINC000189321359 328140915 /nfs/dbraw/zinc/14/09/15/328140915.db2.gz BXQLSSYCKGGARW-DTWKUNHWSA-N 0 3 353.307 2.238 10 0 FEAEHN C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCc1nnc(-c2ccccc2)[n-]1 ZINC000189783165 328167799 /nfs/dbraw/zinc/16/77/99/328167799.db2.gz JHEAPNFYFNQZIE-SFHVURJKSA-N 0 3 363.465 2.303 10 0 FEAEHN C[C@H](CC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)N1CCCCC1=O ZINC000189924443 328176559 /nfs/dbraw/zinc/17/65/59/328176559.db2.gz XMIJPFBUUYFWKQ-LMMKCTJWSA-N 0 3 357.498 2.414 10 0 FEAEHN CCCCOc1cccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1 ZINC000190074986 328186234 /nfs/dbraw/zinc/18/62/34/328186234.db2.gz VIJQTNDEYSIFPR-RDJZCZTQSA-N 0 3 359.470 2.499 10 0 FEAEHN Cc1noc(-c2ccccc2)c1NC(=O)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000190082498 328186832 /nfs/dbraw/zinc/18/68/32/328186832.db2.gz PDFYZCVWGZUHLX-BBRMVZONSA-N 0 3 368.437 2.284 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1OC(F)(F)F ZINC000190083566 328187055 /nfs/dbraw/zinc/18/70/55/328187055.db2.gz LLFZXSLGNRYOAN-NWDGAFQWSA-N 0 3 371.359 2.219 10 0 FEAEHN CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c(F)c1 ZINC000190104444 328188459 /nfs/dbraw/zinc/18/84/59/328188459.db2.gz WZFBEQIEGRKXEA-UONOGXRCSA-N 0 3 363.433 2.247 10 0 FEAEHN CC[C@H](C)Oc1ccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1 ZINC000190104216 328188510 /nfs/dbraw/zinc/18/85/10/328188510.db2.gz JFBTXUYHPXDNET-ZOBUZTSGSA-N 0 3 359.470 2.498 10 0 FEAEHN CCN(CC(=O)OC(C)(C)C)C1CCN([C@H](C)C(=O)N(C)C(C)C)CC1 ZINC000190350552 328201970 /nfs/dbraw/zinc/20/19/70/328201970.db2.gz RDYPJGYOBVKUOV-MRXNPFEDSA-N 0 3 369.550 2.370 10 0 FEAEHN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(CC(=O)NCC2CCC2)CC1 ZINC000190500167 328211953 /nfs/dbraw/zinc/21/19/53/328211953.db2.gz RIQUFWREHNKQMH-KRWDZBQOSA-N 0 3 367.534 2.031 10 0 FEAEHN C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190610043 328219491 /nfs/dbraw/zinc/21/94/91/328219491.db2.gz SNNIFSFXOWNDAW-FUHWJXTLSA-N 0 3 374.529 2.303 10 0 FEAEHN CC(C)[C@@H](C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1)N1CCCC1=O ZINC000190616613 328219671 /nfs/dbraw/zinc/21/96/71/328219671.db2.gz KRRODLBZKROPPH-ICSRJNTNSA-N 0 3 372.513 2.009 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)CN2CCCCCCC2=O)C1 ZINC000190640578 328221264 /nfs/dbraw/zinc/22/12/64/328221264.db2.gz AKEDTRKQQWAHJR-LJQANCHMSA-N 0 3 372.513 2.155 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NCCc2ccccn2)C1 ZINC000190676811 328224206 /nfs/dbraw/zinc/22/42/06/328224206.db2.gz SKGXWQZNBADEPL-SFHVURJKSA-N 0 3 353.470 2.183 10 0 FEAEHN Cc1nn(C)c(C)c1CNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190721321 328227507 /nfs/dbraw/zinc/22/75/07/328227507.db2.gz PVZRIVSINFVVFM-GOSISDBHSA-N 0 3 370.501 2.095 10 0 FEAEHN COC(=O)[C@@H]1C[C@H]1C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000190804425 328233441 /nfs/dbraw/zinc/23/34/41/328233441.db2.gz BRHYLMMCOPZFGA-QZTJIDSGSA-N 0 3 359.470 2.273 10 0 FEAEHN CN(C)C[C@@H](NC(=O)c1cc(Br)nn1C)c1ccccc1 ZINC000192094964 328299419 /nfs/dbraw/zinc/29/94/19/328299419.db2.gz BCWFBBHQDVJUPK-GFCCVEGCSA-N 0 3 351.248 2.215 10 0 FEAEHN CCC[C@H]1CCc2nc(NC(=O)C(=O)N3CC[C@@H](N(C)C)C3)sc2C1 ZINC000192877459 328344467 /nfs/dbraw/zinc/34/44/67/328344467.db2.gz IVBBLZSGSLUUCH-QWHCGFSZSA-N 0 3 364.515 2.149 10 0 FEAEHN CCc1nc(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)sc1C ZINC000193215835 328363035 /nfs/dbraw/zinc/36/30/35/328363035.db2.gz QBQCPVUALWDUOB-CYBMUJFWSA-N 0 3 352.504 2.189 10 0 FEAEHN CCCCOC[C@H](O)CN1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000193372853 328371243 /nfs/dbraw/zinc/37/12/43/328371243.db2.gz SKIWGQZIXOENSN-LJQANCHMSA-N 0 3 366.477 2.332 10 0 FEAEHN CN(C)C[C@@H](NC(=O)NCCCN(C)CC(F)(F)F)c1ccccc1 ZINC000045185492 324571556 /nfs/dbraw/zinc/57/15/56/324571556.db2.gz OTQLACLHYACNQZ-OAHLLOKOSA-N 0 3 360.424 2.473 10 0 FEAEHN Cc1cc(S(=O)(=O)N(C)C[C@H]2CCN(C)C2)sc1Br ZINC000081053181 325156725 /nfs/dbraw/zinc/15/67/25/325156725.db2.gz MSBSSOFRNOUNMG-JTQLQIEISA-N 0 3 367.334 2.391 10 0 FEAEHN C[C@@]1(C(=O)N2CCN(c3ccc(Br)cn3)CC2)CCCCN1 ZINC000237561604 328520173 /nfs/dbraw/zinc/52/01/73/328520173.db2.gz JRSJHUOMIRWHAB-INIZCTEOSA-N 0 3 367.291 2.025 10 0 FEAEHN CC(C)CC(=O)N[C@@H](C(=O)NC1CCN(CCOC(C)C)CC1)C(C)C ZINC000081997781 325206947 /nfs/dbraw/zinc/20/69/47/325206947.db2.gz PVIDJHMRWJDABN-LJQANCHMSA-N 0 3 369.550 2.179 10 0 FEAEHN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCCN(C)Cc1ccccc1 ZINC000087032519 325270818 /nfs/dbraw/zinc/27/08/18/325270818.db2.gz OWCKFOQUDOBAMW-QGZVFWFLSA-N 0 3 370.501 2.497 10 0 FEAEHN Cc1cc2ncc([C@@H](C)N[C@@H]3CCCN(c4cccnn4)C3)c(C)n2n1 ZINC000089733371 325328890 /nfs/dbraw/zinc/32/88/90/325328890.db2.gz VDIBCHUTIKSQEW-GDBMZVCRSA-N 0 3 351.458 2.456 10 0 FEAEHN Cc1cc2ncc([C@H](C)N[C@H]3CCCN(c4cccnn4)C3)c(C)n2n1 ZINC000089733374 325329069 /nfs/dbraw/zinc/32/90/69/325329069.db2.gz VDIBCHUTIKSQEW-HOCLYGCPSA-N 0 3 351.458 2.456 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)c2csc(I)c2)C1 ZINC000107591154 325630842 /nfs/dbraw/zinc/63/08/42/325630842.db2.gz JAZWGVAHLDYJFU-SECBINFHSA-N 0 3 350.225 2.129 10 0 FEAEHN CC(C)N(C)C(=O)[C@H](C)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000245472599 328553003 /nfs/dbraw/zinc/55/30/03/328553003.db2.gz PDJHLOTZWOXORG-OWCLPIDISA-N 0 3 353.532 2.355 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@@H](C)C(=O)NCCc1cccs1)CC2 ZINC000112551599 325790561 /nfs/dbraw/zinc/79/05/61/325790561.db2.gz PRBRFVYRMFNZQR-UONOGXRCSA-N 0 3 361.515 2.115 10 0 FEAEHN CCc1nc2n(n1)C[C@H](NC(=O)c1cccc(CN3CCCC3)c1)CC2 ZINC000114871137 325930909 /nfs/dbraw/zinc/93/09/09/325930909.db2.gz LJUGQERQEFZXHS-QGZVFWFLSA-N 0 3 353.470 2.181 10 0 FEAEHN Cc1cc(C)n(-c2ccc(C(=O)N3CCO[C@@H](CN(C)C)C3)cc2F)n1 ZINC000116787115 326035327 /nfs/dbraw/zinc/03/53/27/326035327.db2.gz GPMMTLRSNXDVBK-INIZCTEOSA-N 0 3 360.433 2.031 10 0 FEAEHN CCOc1ccccc1OCCCC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000116790379 326035652 /nfs/dbraw/zinc/03/56/52/326035652.db2.gz JYCRHKHQDBPZKG-INIZCTEOSA-N 0 3 350.459 2.033 10 0 FEAEHN Cc1cc(Br)ccc1CNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117048744 326048905 /nfs/dbraw/zinc/04/89/05/326048905.db2.gz KNGMCKGIUCNAOZ-OAHLLOKOSA-N 0 3 370.291 2.230 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N[C@@H]2CCCN(c3cccc(OC)c3)C2)C1 ZINC000117483649 326062901 /nfs/dbraw/zinc/06/29/01/326062901.db2.gz NZWXPVMBKJDQNT-IAGOWNOFSA-N 0 3 360.502 2.448 10 0 FEAEHN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cccc(CN2CCCC2)c1 ZINC000118674926 326096990 /nfs/dbraw/zinc/09/69/90/326096990.db2.gz XEIMPCKNACHJME-IBGZPJMESA-N 0 3 365.481 2.471 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cnn(-c2ccccc2)c1C ZINC000119061861 326123351 /nfs/dbraw/zinc/12/33/51/326123351.db2.gz LAIHJLGGMLZXAJ-KRWDZBQOSA-N 0 3 369.469 2.062 10 0 FEAEHN C[C@@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)c1ccccc1F ZINC000119820650 326201544 /nfs/dbraw/zinc/20/15/44/326201544.db2.gz GQSMGGOEYKKWRU-QAPCUYQASA-N 0 3 356.441 2.465 10 0 FEAEHN C[C@H](Sc1ccccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000119828448 326202922 /nfs/dbraw/zinc/20/29/22/326202922.db2.gz JDOHOUNTIIEBHB-YJBOKZPZSA-N 0 3 371.506 2.098 10 0 FEAEHN CCC(CC)[C@@H]1C[C@H](NC(=O)NC[C@@H](O)CN2CCCCC2)CCO1 ZINC000245983030 328582426 /nfs/dbraw/zinc/58/24/26/328582426.db2.gz PPQISMXKSMRPAG-KURKYZTESA-N 0 3 355.523 2.116 10 0 FEAEHN CN(Cc1cn(C)nc1-c1cccnc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000120195294 326239697 /nfs/dbraw/zinc/23/96/97/326239697.db2.gz KFCSUBGUTZXWAV-SFHVURJKSA-N 0 3 363.469 2.373 10 0 FEAEHN COc1cccc(CN(C)C2CCN(CCn3cccn3)CC2)c1OC ZINC000121216682 326322393 /nfs/dbraw/zinc/32/23/93/326322393.db2.gz HHHCQBRRHWHYEW-UHFFFAOYSA-N 0 3 358.486 2.497 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1c(C)cc(N(C)C)cc1C ZINC000121727990 326361590 /nfs/dbraw/zinc/36/15/90/326361590.db2.gz DNLUUUHBFNLQHY-INIZCTEOSA-N 0 3 360.502 2.251 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccccc1Br ZINC000121807662 326368805 /nfs/dbraw/zinc/36/88/05/326368805.db2.gz DGPMADLVTHWTHJ-LBPRGKRZSA-N 0 3 370.291 2.480 10 0 FEAEHN COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1C[NH3+] ZINC000124517484 326455351 /nfs/dbraw/zinc/45/53/51/326455351.db2.gz NOHKRGRIFWNYCL-ZYHUDNBSSA-N 0 3 368.480 2.094 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2O)CCO1 ZINC000131573788 326577321 /nfs/dbraw/zinc/57/73/21/326577321.db2.gz NUWJKWSFXBKSEF-SFHVURJKSA-N 0 3 370.449 2.374 10 0 FEAEHN Cc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccco2)c(OCCN(C)C)c1 ZINC000133600579 326611767 /nfs/dbraw/zinc/61/17/67/326611767.db2.gz BSHAMPQQNXZDDA-CQSZACIVSA-N 0 3 359.426 2.285 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000135614856 326645452 /nfs/dbraw/zinc/64/54/52/326645452.db2.gz RJCFVODZQNLFQI-KGLIPLIRSA-N 0 3 352.445 2.241 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000137103930 326658106 /nfs/dbraw/zinc/65/81/06/326658106.db2.gz TZQQQAIUQHNYLJ-QFBILLFUSA-N 0 3 365.493 2.292 10 0 FEAEHN C[C@@H](NC[C@@H](O)COCc1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000153766771 326742104 /nfs/dbraw/zinc/74/21/04/326742104.db2.gz VJWWMBPBMGEKPC-UKRRQHHQSA-N 0 3 369.508 2.380 10 0 FEAEHN C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000155424924 326787675 /nfs/dbraw/zinc/78/76/75/326787675.db2.gz UTCVJFMMNYVLRE-XJKSGUPXSA-N 0 3 369.303 2.417 10 0 FEAEHN Cc1ccc(NC(=O)N2CCO[C@@H](CN(C)C)C2)cc1OCC(F)F ZINC000158161128 326887137 /nfs/dbraw/zinc/88/71/37/326887137.db2.gz QZJGKZDZVBQIMM-AWEZNQCLSA-N 0 3 357.401 2.433 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)CSc2cccc(Br)c2)CCO1 ZINC000163046154 327041371 /nfs/dbraw/zinc/04/13/71/327041371.db2.gz XKLVPDYZBKYNAR-ZDUSSCGKSA-N 0 3 373.316 2.330 10 0 FEAEHN Cc1csc(-c2ccc(NC(=O)C(=O)N3CC[C@@H](N(C)C)C3)cc2)n1 ZINC000170843757 327102334 /nfs/dbraw/zinc/10/23/34/327102334.db2.gz LYUNPGPMKZFAKA-OAHLLOKOSA-N 0 3 358.467 2.220 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)C1 ZINC000171164775 327121730 /nfs/dbraw/zinc/12/17/30/327121730.db2.gz QWWCUKYUEOWQTG-SFHVURJKSA-N 0 3 364.534 2.295 10 0 FEAEHN Cc1nc(C[C@H]2CCCN(CCC(=O)NC(=O)Nc3ccccc3)C2)no1 ZINC000171503850 327143151 /nfs/dbraw/zinc/14/31/51/327143151.db2.gz WVMFPDQSRLEXEE-OAHLLOKOSA-N 0 3 371.441 2.371 10 0 FEAEHN COc1cccc(CNC(=O)CN2CC[C@@H](CNc3cccc(C)n3)C2)c1 ZINC000171651442 327151697 /nfs/dbraw/zinc/15/16/97/327151697.db2.gz QIWZAISLXSFOPZ-SFHVURJKSA-N 0 3 368.481 2.449 10 0 FEAEHN CN(C(=O)N1CCc2ccccc21)C1CCN(CCn2cccn2)CC1 ZINC000171750752 327158863 /nfs/dbraw/zinc/15/88/63/327158863.db2.gz WKIDTXUXOFISGF-UHFFFAOYSA-N 0 3 353.470 2.462 10 0 FEAEHN COc1cc(NC(=O)N2CCN3CCC[C@H]3C2)ccc1N1CCCC1=O ZINC000171887990 327167764 /nfs/dbraw/zinc/16/77/64/327167764.db2.gz HSDKFBZTEGTGRF-HNNXBMFYSA-N 0 3 358.442 2.134 10 0 FEAEHN O=C(NCc1ccnc(OCC(F)(F)F)c1)N1CCN2CCC[C@@H]2C1 ZINC000171900490 327168655 /nfs/dbraw/zinc/16/86/55/327168655.db2.gz ONDUITPCXFNTJH-CYBMUJFWSA-N 0 3 358.364 2.012 10 0 FEAEHN O=C(NCCOc1cccc(Br)c1)N1CCN2CCC[C@H]2C1 ZINC000171903730 327168974 /nfs/dbraw/zinc/16/89/74/327168974.db2.gz HUEPNMMPWKFQQI-AWEZNQCLSA-N 0 3 368.275 2.318 10 0 FEAEHN O=c1c(Cl)c(N2CCN3CCC[C@@H]3C2)cnn1-c1ccc(F)cc1F ZINC000171939078 327171618 /nfs/dbraw/zinc/17/16/18/327171618.db2.gz DWSDKTOSRGVETI-GFCCVEGCSA-N 0 3 366.799 2.449 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)Nc1ccc(N(C)C)cc1)CC2 ZINC000171984961 327174577 /nfs/dbraw/zinc/17/45/77/327174577.db2.gz QJKPSSZXCLUTAK-HOCLYGCPSA-N 0 3 370.501 2.399 10 0 FEAEHN C[C@@H](NC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1)c1ccccn1 ZINC000172065446 327178975 /nfs/dbraw/zinc/17/89/75/327178975.db2.gz HNZJQHWDENQIQX-MRXNPFEDSA-N 0 3 368.485 2.131 10 0 FEAEHN O=C(CCCCCNC(=O)NC1CCCCC1)N1CCN2CCC[C@@H]2C1 ZINC000172217343 327187657 /nfs/dbraw/zinc/18/76/57/327187657.db2.gz AOKWZTLKEMGRNZ-GOSISDBHSA-N 0 3 364.534 2.485 10 0 FEAEHN COC(=O)[C@@H]1CCCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000172537233 327206605 /nfs/dbraw/zinc/20/66/05/327206605.db2.gz IZXLBTSQMLQCOX-GOSISDBHSA-N 0 3 373.497 2.288 10 0 FEAEHN C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCN2CCCC[C@@H]2C1 ZINC000172805067 327220177 /nfs/dbraw/zinc/22/01/77/327220177.db2.gz QADQJLSYFPWSHZ-GDBMZVCRSA-N 0 3 353.474 2.429 10 0 FEAEHN C[C@@H](C(=O)N[C@@H](CN(C)C)c1ccccc1)n1nnc(-c2ccccc2)n1 ZINC000173142943 327237497 /nfs/dbraw/zinc/23/74/97/327237497.db2.gz FAWAGYUASXBOLW-YJBOKZPZSA-N 0 3 364.453 2.320 10 0 FEAEHN C[C@@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)Oc1ccccc1Cl ZINC000173204021 327240883 /nfs/dbraw/zinc/24/08/83/327240883.db2.gz OTOBCFZNZQIAEG-UONOGXRCSA-N 0 3 355.866 2.079 10 0 FEAEHN C[C@@H](CNC(=O)NC[C@H](O)CN1CCCCC1)Oc1ccccc1Cl ZINC000173204953 327241105 /nfs/dbraw/zinc/24/11/05/327241105.db2.gz ZYZQXGBPCJWJCL-GJZGRUSLSA-N 0 3 369.893 2.253 10 0 FEAEHN CCc1ccc([C@@H](CNC(=O)N2CCC[C@@H](n3cncn3)C2)N(C)C)cc1 ZINC000173412737 327254447 /nfs/dbraw/zinc/25/44/47/327254447.db2.gz YXNMCFPWQHAILF-RTBURBONSA-N 0 3 370.501 2.490 10 0 FEAEHN CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](C(C)C)N2CCCCC2)ncn1 ZINC000173436688 327256930 /nfs/dbraw/zinc/25/69/30/327256930.db2.gz SRJKBGBOONKAPJ-QFBILLFUSA-N 0 3 374.533 2.114 10 0 FEAEHN Cc1ccc([C@@H](CN[C@H](C)C(=O)NC(C)(C)C)N2CCOCC2)s1 ZINC000173646143 327273433 /nfs/dbraw/zinc/27/34/33/327273433.db2.gz ZFBSLGBGANOMBQ-HUUCEWRRSA-N 0 3 353.532 2.323 10 0 FEAEHN O=C(CCN1CCN(c2ccccc2)CC1)N[C@@H]1COc2ccccc21 ZINC000174380208 327323396 /nfs/dbraw/zinc/32/33/96/327323396.db2.gz WYNIXXNTOJERDC-LJQANCHMSA-N 0 3 351.450 2.449 10 0 FEAEHN O=C(NCc1cscn1)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000174464707 327328289 /nfs/dbraw/zinc/32/82/89/327328289.db2.gz HCFDGUACQWTVNQ-GOSISDBHSA-N 0 3 374.510 2.388 10 0 FEAEHN CN(C)C[C@H](NC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2)c1ccccc1 ZINC000174582840 327336343 /nfs/dbraw/zinc/33/63/43/327336343.db2.gz JCEQMXFGTZUAOI-INIZCTEOSA-N 0 3 368.437 2.466 10 0 FEAEHN CN(C(=O)c1cc2ccccn2c1)C1CCN(CCn2cccn2)CC1 ZINC000174737229 327347145 /nfs/dbraw/zinc/34/71/45/327347145.db2.gz GCKOWJSIIPVHDW-UHFFFAOYSA-N 0 3 351.454 2.372 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O ZINC000174977281 327364954 /nfs/dbraw/zinc/36/49/54/327364954.db2.gz OKGUVFGOJSANRL-ZIAGYGMSSA-N 0 3 371.481 2.229 10 0 FEAEHN Cc1ccc([C@@H](CN[C@H]2CCCN(C(C)C)C2=O)N2CCOCC2)s1 ZINC000175017074 327368251 /nfs/dbraw/zinc/36/82/51/327368251.db2.gz OVDCPAPJNUDTKL-DLBZAZTESA-N 0 3 365.543 2.419 10 0 FEAEHN CCN1CCC[C@H]1CN(C)CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000175343723 327388202 /nfs/dbraw/zinc/38/82/02/327388202.db2.gz ALVXLTCSKUNUIY-HNNXBMFYSA-N 0 3 355.429 2.320 10 0 FEAEHN CC[C@@H](CNC(=O)NC[C@H](O)CN1CCCCC1)Oc1cccc(F)c1 ZINC000175643432 327404103 /nfs/dbraw/zinc/40/41/03/327404103.db2.gz MYDXWYRNWOUBQJ-IRXDYDNUSA-N 0 3 367.465 2.129 10 0 FEAEHN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000175881432 327419341 /nfs/dbraw/zinc/41/93/41/327419341.db2.gz LQBYAZCCCBFBSX-KRWDZBQOSA-N 0 3 374.464 2.334 10 0 FEAEHN C[C@H](CNC(=O)NC[C@@H](O)CN1CCCCC1)Oc1cccc(Cl)c1 ZINC000176145729 327437311 /nfs/dbraw/zinc/43/73/11/327437311.db2.gz DKQHDICUYULTRU-GDBMZVCRSA-N 0 3 369.893 2.253 10 0 FEAEHN COc1cccc([C@@H](CNC(=O)N2CCC[C@@H]2Cn2ccnc2)N(C)C)c1 ZINC000177353994 327516144 /nfs/dbraw/zinc/51/61/44/327516144.db2.gz QAXOMTLEWLZLNZ-IEBWSBKVSA-N 0 3 371.485 2.369 10 0 FEAEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)c1ccc[nH]c1=O ZINC000177470709 327524985 /nfs/dbraw/zinc/52/49/85/327524985.db2.gz NOKKUOYNTDMSCZ-IBGZPJMESA-N 0 3 369.465 2.305 10 0 FEAEHN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@@H](N)C3CCOCC3)cc2)n1 ZINC000261713935 328813963 /nfs/dbraw/zinc/81/39/63/328813963.db2.gz IXGGNXOOOYFWIS-KXBFYZLASA-N 0 3 356.470 2.420 10 0 FEAEHN N[C@@H](C(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1)C1CCOCC1 ZINC000261761984 328817455 /nfs/dbraw/zinc/81/74/55/328817455.db2.gz LTUCSVYPJDPVNZ-HZPDHXFCSA-N 0 3 372.387 2.359 10 0 FEAEHN N[C@@H](C(=O)N[C@@H]1CCc2c1cccc2Br)C1CCOCC1 ZINC000262031291 328836945 /nfs/dbraw/zinc/83/69/45/328836945.db2.gz PJLAOKGWHGHJNO-HUUCEWRRSA-N 0 3 353.260 2.307 10 0 FEAEHN CCOc1c(Cl)cc(-c2nc([C@H]3CNCCN3C)no2)cc1OC ZINC000263177647 328922458 /nfs/dbraw/zinc/92/24/58/328922458.db2.gz GIAXBOBNVIDULZ-GFCCVEGCSA-N 0 3 352.822 2.373 10 0 FEAEHN COc1c(Br)c(C)sc1-c1nc([C@H]2CNCCN2C)no1 ZINC000263235240 328927153 /nfs/dbraw/zinc/92/71/53/328927153.db2.gz NVXRQNYOUVIYRV-MRVPVSSYSA-N 0 3 373.276 2.454 10 0 FEAEHN CN1CCNC[C@H]1c1noc(C2(c3cccc(Cl)c3)CCOCC2)n1 ZINC000263307520 328931934 /nfs/dbraw/zinc/93/19/34/328931934.db2.gz YDEFMCHOTVWZTO-HNNXBMFYSA-N 0 3 362.861 2.396 10 0 FEAEHN CNc1cc(N2CCC[C@H]2CNCc2cc(OC)cc(OC)c2)ncn1 ZINC000109070246 517980407 /nfs/dbraw/zinc/98/04/07/517980407.db2.gz FRIDNXFJZUPEIJ-HNNXBMFYSA-N 0 3 357.458 2.294 10 0 FEAEHN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000155400457 545521112 /nfs/dbraw/zinc/52/11/12/545521112.db2.gz JAMIVCSTAVZRQU-KPOBHBOGSA-N 0 3 370.497 2.060 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)CCO1 ZINC000158199971 545834698 /nfs/dbraw/zinc/83/46/98/545834698.db2.gz DBJJMDWJZFZTSD-AWEZNQCLSA-N 0 3 362.474 2.009 10 0 FEAEHN CC(C)C1CCC(N2CCN(C(=O)N[C@H]3CCc4ncnn4C3)CC2)CC1 ZINC000175622944 546321695 /nfs/dbraw/zinc/32/16/95/546321695.db2.gz VHGADDRGIDQIKA-ADKAHSJRSA-N 0 3 374.533 2.135 10 0 FEAEHN O=C(NCc1nccn1CCc1ccccc1)N1CCN2CCC[C@H]2C1 ZINC000175923083 546372061 /nfs/dbraw/zinc/37/20/61/546372061.db2.gz XXXHVMSUUDZJPW-SFHVURJKSA-N 0 3 353.470 2.115 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1C(=O)NCCN(C)Cc1ccccc1 ZINC000175965074 546380448 /nfs/dbraw/zinc/38/04/48/546380448.db2.gz VIWWEQKAHFYCGS-LJQANCHMSA-N 0 3 355.486 2.498 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(Cl)ccc1OC ZINC000176897815 546502621 /nfs/dbraw/zinc/50/26/21/546502621.db2.gz MXOBXXYANAMGMQ-CYBMUJFWSA-N 0 3 353.850 2.230 10 0 FEAEHN CCn1ccnc1CS(=O)(=O)C(C)C(=O)NC[C@H](C)c1ccccc1 ZINC000176908625 546506059 /nfs/dbraw/zinc/50/60/59/546506059.db2.gz XFXHXCUXNHIFDC-GJZGRUSLSA-N 0 3 363.483 2.126 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C[C@H](NC(C)=O)c1ccc(F)cc1F ZINC000177004527 546522031 /nfs/dbraw/zinc/52/20/31/546522031.db2.gz KCLBSYYMSOTLEP-YJBOKZPZSA-N 0 3 367.440 2.475 10 0 FEAEHN Cc1ccc(N2CCCN(CCC(=O)Nc3cc(N)ccc3F)CC2)nn1 ZINC000177051774 546533148 /nfs/dbraw/zinc/53/31/48/546533148.db2.gz UEVPOUFVOCYLEL-UHFFFAOYSA-N 0 3 372.448 2.047 10 0 FEAEHN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000177274290 546584877 /nfs/dbraw/zinc/58/48/77/546584877.db2.gz QIPRISBQHVKSEP-HNNXBMFYSA-N 0 3 360.458 2.099 10 0 FEAEHN O=C(N[C@H]1CCCn2ncnc21)N1CCCN(Cc2ccccc2)CC1 ZINC000177345193 546598156 /nfs/dbraw/zinc/59/81/56/546598156.db2.gz NCWPEEUIBFHXDK-KRWDZBQOSA-N 0 3 354.458 2.031 10 0 FEAEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)c1cnsn1 ZINC000177458145 546622502 /nfs/dbraw/zinc/62/25/02/546622502.db2.gz MOJGLKCSNXEXNG-QGZVFWFLSA-N 0 3 360.483 2.056 10 0 FEAEHN COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000177509036 546634208 /nfs/dbraw/zinc/63/42/08/546634208.db2.gz XILYGUBGUHUNRN-HUUCEWRRSA-N 0 3 365.478 2.150 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)NCCOc1cccc(C)c1 ZINC000178321162 546774217 /nfs/dbraw/zinc/77/42/17/546774217.db2.gz PELAKYYVPJLMLZ-SFHVURJKSA-N 0 3 356.470 2.160 10 0 FEAEHN C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCN2CCC[C@@H]2C1 ZINC000178639179 546825810 /nfs/dbraw/zinc/82/58/10/546825810.db2.gz AJXJJKUJUZFULS-LSDHHAIUSA-N 0 3 358.511 2.423 10 0 FEAEHN CCOC(=O)c1ccc(NC(=O)CN2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000178751514 546842667 /nfs/dbraw/zinc/84/26/67/546842667.db2.gz CEPHYFLJIXOXFE-GOSISDBHSA-N 0 3 370.453 2.471 10 0 FEAEHN COC(=O)C1CCC(C(=O)NCc2ccc(OCCN(C)C)cc2)CC1 ZINC000179913725 547027986 /nfs/dbraw/zinc/02/79/86/547027986.db2.gz QFDMGCKBINIHCO-UHFFFAOYSA-N 0 3 362.470 2.223 10 0 FEAEHN COc1cc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)ccc1OC(=O)C1CC1 ZINC000180229229 547070327 /nfs/dbraw/zinc/07/03/27/547070327.db2.gz YDFMMCWMSNEAGO-QAPCUYQASA-N 0 3 374.481 2.163 10 0 FEAEHN CC(C)c1nnc2n1C[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)CC2 ZINC000180515211 547122739 /nfs/dbraw/zinc/12/27/39/547122739.db2.gz ATLQDYCOALAXNR-DZGCQCFKSA-N 0 3 362.499 2.471 10 0 FEAEHN COc1cccc(NC(=O)C(=O)N[C@@H](C)CN(C)Cc2ccccc2)c1 ZINC000180900924 547205478 /nfs/dbraw/zinc/20/54/78/547205478.db2.gz LJXPHYHSXLGYMC-HNNXBMFYSA-N 0 3 355.438 2.270 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)CCO1 ZINC000181231428 547275936 /nfs/dbraw/zinc/27/59/36/547275936.db2.gz SWGIWGSMNBACLM-INIZCTEOSA-N 0 3 371.441 2.408 10 0 FEAEHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000181336271 547296070 /nfs/dbraw/zinc/29/60/70/547296070.db2.gz KUVQZBADDAGAKB-CVEARBPZSA-N 0 3 370.501 2.495 10 0 FEAEHN CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@H](C)N1CCC[C@@H](C)C1)CC2 ZINC000181471480 547319979 /nfs/dbraw/zinc/31/99/79/547319979.db2.gz JYKFDQVBYUYFOQ-OWCLPIDISA-N 0 3 362.522 2.136 10 0 FEAEHN CC(C)c1nnc2n1C[C@@H](NC(=O)N(CCN(C)C)C1CCCC1)CC2 ZINC000181700973 547363948 /nfs/dbraw/zinc/36/39/48/547363948.db2.gz QBQPMZHTRFFCNM-HNNXBMFYSA-N 0 3 362.522 2.232 10 0 FEAEHN COc1ccc(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)cc1OCCO ZINC000182074923 547433478 /nfs/dbraw/zinc/43/34/78/547433478.db2.gz IQNNVRGGNSLZTL-INIZCTEOSA-N 0 3 372.465 2.317 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)COc2cc(C)ccc2Cl)CCN1CCOC ZINC000182341862 547475980 /nfs/dbraw/zinc/47/59/80/547475980.db2.gz HRDVRCZGPSKKOY-SJORKVTESA-N 0 3 370.921 2.431 10 0 FEAEHN CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N[C@H](C)[C@@H]1CCCO1 ZINC000183131937 547607398 /nfs/dbraw/zinc/60/73/98/547607398.db2.gz KEWCNYSDMVZNPB-VKJFTORMSA-N 0 3 361.486 2.192 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccccc1CN1CCNC1=O ZINC000184009161 547753970 /nfs/dbraw/zinc/75/39/70/547753970.db2.gz JFWWBXMWZGOSRN-MRXNPFEDSA-N 0 3 359.474 2.160 10 0 FEAEHN Cc1c(-c2cc(CN(C)[C@@H]3CCCN(c4cccnn4)C3)on2)cnn1C ZINC000184516836 547839656 /nfs/dbraw/zinc/83/96/56/547839656.db2.gz HKCARJTZEZCTTA-OAHLLOKOSA-N 0 3 367.457 2.274 10 0 FEAEHN Cc1ccccc1-c1cc(NC(=O)NC[C@@H](O)CN2CCCCC2)n(C)n1 ZINC000184557741 547845880 /nfs/dbraw/zinc/84/58/80/547845880.db2.gz SAGIXKFNSVCHMH-MRXNPFEDSA-N 0 3 371.485 2.364 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N[C@H](c2cnn(C)c2)c2ccc(F)cc2)C1 ZINC000184679156 547864754 /nfs/dbraw/zinc/86/47/54/547864754.db2.gz BGKPAYSGSIFMTL-MSOLQXFVSA-N 0 3 359.449 2.432 10 0 FEAEHN C[C@H]1C(=O)NCCCN1C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000189312982 548300767 /nfs/dbraw/zinc/30/07/67/548300767.db2.gz LVJKZWLWBOJNOG-HOTGVXAUSA-N 0 3 351.450 2.366 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CNC[C@H]1CCC(C)(C)O1 ZINC000189720583 548309048 /nfs/dbraw/zinc/30/90/48/548309048.db2.gz PNGLONZMYPKZFR-OAHLLOKOSA-N 0 3 350.507 2.427 10 0 FEAEHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCCNC(=O)[C@H]1C ZINC000191560418 548347606 /nfs/dbraw/zinc/34/76/06/548347606.db2.gz CNIQZSUBAOQNFP-SJLPKXTDSA-N 0 3 360.502 2.063 10 0 FEAEHN CCCCOC[C@H](O)CN1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000195186185 548592696 /nfs/dbraw/zinc/59/26/96/548592696.db2.gz HZEOLUWVDAJOOT-GOSISDBHSA-N 0 3 355.523 2.260 10 0 FEAEHN C[C@@H]1CN(CCN(C)C[C@@H](O)COCc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000195323247 548624913 /nfs/dbraw/zinc/62/49/13/548624913.db2.gz GDDJNVHXHPCESK-JTDSTZFVSA-N 0 3 370.921 2.259 10 0 FEAEHN Cc1cc(-c2noc(CCC(=O)N3CCN4CCC[C@H]4C3)n2)ccc1F ZINC000195336534 548627073 /nfs/dbraw/zinc/62/70/73/548627073.db2.gz RTGOPBNJMYENPF-HNNXBMFYSA-N 0 3 358.417 2.423 10 0 FEAEHN CCOCc1ccccc1CNC(=O)CN1CCC(c2ccn[nH]2)CC1 ZINC000195507393 548651513 /nfs/dbraw/zinc/65/15/13/548651513.db2.gz ZTFIASXJSHZYSM-UHFFFAOYSA-N 0 3 356.470 2.442 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000245425770 548916142 /nfs/dbraw/zinc/91/61/42/548916142.db2.gz FGWISNTVNHTMPA-OALUTQOASA-N 0 3 363.477 2.142 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000245429568 548917423 /nfs/dbraw/zinc/91/74/23/548917423.db2.gz YRPRHPHJXHERSD-WOJBJXKFSA-N 0 3 374.529 2.186 10 0 FEAEHN CCc1cc(N2CCC[C@@H](NC(=O)N(C)C[C@H]3CCCN3CC)C2)ncn1 ZINC000245464679 548928526 /nfs/dbraw/zinc/92/85/26/548928526.db2.gz IBMSYZWQAWRLRH-QZTJIDSGSA-N 0 3 374.533 2.134 10 0 FEAEHN CCc1cc(N2CCC[C@H](NC(=O)N(C)C[C@H]3CCCN3CC)C2)ncn1 ZINC000245464682 548928549 /nfs/dbraw/zinc/92/85/49/548928549.db2.gz IBMSYZWQAWRLRH-ZWKOTPCHSA-N 0 3 374.533 2.134 10 0 FEAEHN COC(=O)COc1c(C)cc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1C ZINC000245901474 549015299 /nfs/dbraw/zinc/01/52/99/549015299.db2.gz SHIPWKJDSFLRQP-WBVHZDCISA-N 0 3 360.454 2.164 10 0 FEAEHN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000246044741 549041382 /nfs/dbraw/zinc/04/13/82/549041382.db2.gz ZBTUDRMRASSOQJ-KFKAGJAMSA-N 0 3 357.498 2.149 10 0 FEAEHN COCCN1CCN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000246232441 549084892 /nfs/dbraw/zinc/08/48/92/549084892.db2.gz CJLZUWLOHFTCBC-YOEHRIQHSA-N 0 3 360.420 2.261 10 0 FEAEHN O[C@H](COc1ccccc1Cl)CN1CCC[C@@H](Cn2cncn2)C1 ZINC000246237508 549086563 /nfs/dbraw/zinc/08/65/63/549086563.db2.gz IEUWENOLTNHCLC-CABCVRRESA-N 0 3 350.850 2.083 10 0 FEAEHN CC[C@@H]1CN(C[C@@H](O)COc2ccccc2Cl)CCN1CCOC ZINC000246280630 549096245 /nfs/dbraw/zinc/09/62/45/549096245.db2.gz HTCCQILIDKDCMY-HZPDHXFCSA-N 0 3 356.894 2.122 10 0 FEAEHN Cc1csc([C@H]2CCCN(C[C@H]3CCCN(S(C)(=O)=O)C3)C2)n1 ZINC000246394191 549122797 /nfs/dbraw/zinc/12/27/97/549122797.db2.gz SRDWBIBZDMRXLX-CABCVRRESA-N 0 3 357.545 2.303 10 0 FEAEHN CCOCCN1CCN(C[C@@H](O)COc2cccc(C)c2)C[C@@H]1CC ZINC000246401288 549125815 /nfs/dbraw/zinc/12/58/15/549125815.db2.gz QBBHXCCMJTWUQF-RBUKOAKNSA-N 0 3 350.503 2.167 10 0 FEAEHN COc1cccc([C@@H](C)N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)c1 ZINC000246452315 549136185 /nfs/dbraw/zinc/13/61/85/549136185.db2.gz FLKGTIICIVBFNH-WIYYLYMNSA-N 0 3 361.530 2.483 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2N(C)C)C1 ZINC000246473123 549140559 /nfs/dbraw/zinc/14/05/59/549140559.db2.gz QEWZWTQFQFFKJU-IUODEOHRSA-N 0 3 366.893 2.189 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cccc(COCC3CC3)c2)C1 ZINC000246552873 549159604 /nfs/dbraw/zinc/15/96/04/549159604.db2.gz WDRRJBWAJWAPPR-HNAYVOBHSA-N 0 3 373.497 2.397 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000246559631 549161581 /nfs/dbraw/zinc/16/15/81/549161581.db2.gz KUOVGWVCYUVICB-JTNHKYCSSA-N 0 3 358.408 2.378 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCCN(Cc3cscn3)CC2)C1 ZINC000247076559 549278982 /nfs/dbraw/zinc/27/89/82/549278982.db2.gz JARCEMBVCPBRHE-NVXWUHKLSA-N 0 3 365.547 2.089 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc(Br)cnc1N(C)C ZINC000247085943 549280101 /nfs/dbraw/zinc/28/01/01/549280101.db2.gz HZPKNCVOHQXHNC-AAEUAGOBSA-N 0 3 367.291 2.219 10 0 FEAEHN CCOCCN1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C[C@@H]1C ZINC000247128886 549289041 /nfs/dbraw/zinc/28/90/41/549289041.db2.gz OKNUTHRSXPGJIK-AZUAARDMSA-N 0 3 359.514 2.220 10 0 FEAEHN Cc1cccc(NC(=O)CSCC(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1 ZINC000247134902 549289298 /nfs/dbraw/zinc/28/92/98/549289298.db2.gz JNRKCEMNUGBSGD-WBVHZDCISA-N 0 3 361.511 2.362 10 0 FEAEHN COc1ccc(C)cc1-n1ccc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)n1 ZINC000247325113 549319314 /nfs/dbraw/zinc/31/93/14/549319314.db2.gz OXNJDSSGQFWGEE-CVEARBPZSA-N 0 3 354.454 2.498 10 0 FEAEHN O[C@@H](COc1cccc(C(F)(F)F)c1)CN1CCC[C@@H](n2cncn2)C1 ZINC000247808918 549383535 /nfs/dbraw/zinc/38/35/35/549383535.db2.gz UFKQDUFDRVLNOD-HUUCEWRRSA-N 0 3 370.375 2.374 10 0 FEAEHN COC(=O)[C@H](N[C@@H]1CN(C(C)C)C[C@H]1C)c1cc(OC)cc(OC)c1 ZINC000248053474 549403804 /nfs/dbraw/zinc/40/38/04/549403804.db2.gz WWRZONFQDHLACA-FSPWUOQZSA-N 0 3 350.459 2.236 10 0 FEAEHN CCCCOc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cn1 ZINC000248565930 549459778 /nfs/dbraw/zinc/45/97/78/549459778.db2.gz PUSODCPBNLVPCC-GDBMZVCRSA-N 0 3 362.474 2.044 10 0 FEAEHN COC(=O)[C@@H](c1cccnc1)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248644348 549475800 /nfs/dbraw/zinc/47/58/00/549475800.db2.gz FFDOBNFKGVRVJC-PKOBYXMFSA-N 0 3 354.454 2.145 10 0 FEAEHN CCO[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCCN2CC)C12CCOCC2 ZINC000248672900 549482383 /nfs/dbraw/zinc/48/23/83/549482383.db2.gz BUJPRMWTQIRCSO-GVDBMIGSSA-N 0 3 353.507 2.086 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)C12CCOCC2 ZINC000248706213 549487297 /nfs/dbraw/zinc/48/72/97/549487297.db2.gz LZTVWTXOONFTSS-VSZNYVQBSA-N 0 3 367.534 2.380 10 0 FEAEHN CCN1CC[C@H](NC(=O)[C@H]2C[C@H](F)CN2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249007618 549539756 /nfs/dbraw/zinc/53/97/56/549539756.db2.gz UWVSFKKZQNGWJG-DANNLKNASA-N 0 3 357.832 2.431 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(Cl)c1N(C)C ZINC000249149743 549561679 /nfs/dbraw/zinc/56/16/79/549561679.db2.gz HAECRZPBJLFPCA-STQMWFEESA-N 0 3 364.877 2.040 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000249152660 549562036 /nfs/dbraw/zinc/56/20/36/549562036.db2.gz HPCXKIIPDPRUAM-IRXDYDNUSA-N 0 3 357.454 2.221 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC000253206045 549680632 /nfs/dbraw/zinc/68/06/32/549680632.db2.gz YSXIOWOFTXDTFY-IRXDYDNUSA-N 0 3 353.470 2.205 10 0 FEAEHN N[C@@H](C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1)C1CCOCC1 ZINC000261829880 549761001 /nfs/dbraw/zinc/76/10/01/549761001.db2.gz IETMAOJXFNMCQX-GOSISDBHSA-N 0 3 369.469 2.364 10 0 FEAEHN NC1(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)CCOCC1 ZINC000261939371 549772233 /nfs/dbraw/zinc/77/22/33/549772233.db2.gz XDUUUSKNOAHRFT-HNNXBMFYSA-N 0 3 369.868 2.240 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2ccsc2NC(=O)c2ccco2)n1 ZINC000263149341 549881569 /nfs/dbraw/zinc/88/15/69/549881569.db2.gz CYNBPPXSYDCGME-LLVKDONJSA-N 0 3 359.411 2.220 10 0 FEAEHN CCOc1c(Cl)cc(-c2nc([C@@H]3CNCCN3C)no2)cc1OC ZINC000263177649 549883255 /nfs/dbraw/zinc/88/32/55/549883255.db2.gz GIAXBOBNVIDULZ-LBPRGKRZSA-N 0 3 352.822 2.373 10 0 FEAEHN C[C@H](CCN[C@H](C)c1cccc(S(N)(=O)=O)c1)NC(=O)OC(C)(C)C ZINC000271670494 550394167 /nfs/dbraw/zinc/39/41/67/550394167.db2.gz IIHAIWNYZMPNCQ-CHWSQXEVSA-N 0 3 371.503 2.288 10 0 FEAEHN O=c1[nH]ccnc1N1CCC[C@@H](N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000328653472 553802702 /nfs/dbraw/zinc/80/27/02/553802702.db2.gz WWKKBANQBVJIEQ-RTBURBONSA-N 0 3 367.497 2.405 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)c2cccc(F)c2I)C1 ZINC000533085251 562497859 /nfs/dbraw/zinc/49/78/59/562497859.db2.gz FQNNUIFVNXPGIX-VIFPVBQESA-N 0 3 362.186 2.206 10 0 FEAEHN O=C(c1cccc(F)c1I)N1CCN2CCC[C@@H]2C1 ZINC000533544003 562512389 /nfs/dbraw/zinc/51/23/89/562512389.db2.gz KVMVCIDKHCVWAT-SNVBAGLBSA-N 0 3 374.197 2.351 10 0 FEAEHN CN(Cc1ccc(I)cc1)C[C@H]1CN(C)CCO1 ZINC000610368977 675968108 /nfs/dbraw/zinc/96/81/08/675968108.db2.gz KJHVOLLXJPOHQS-CQSZACIVSA-N 0 3 360.239 2.054 10 0 FEAEHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)/C=C\c1ccccc1 ZINC000206884288 672788866 /nfs/dbraw/zinc/78/88/66/672788866.db2.gz ZLQXNILTQVLGEV-KVVHSQDJSA-N 0 3 365.543 2.335 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000236962691 672805072 /nfs/dbraw/zinc/80/50/72/672805072.db2.gz CFJUQESFXRYYRP-YMTOWFKASA-N 0 3 356.264 2.186 10 0 FEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@@H](C)CCc2ccc(OC)c(O)c2)C1 ZINC000263506351 672934662 /nfs/dbraw/zinc/93/46/62/672934662.db2.gz MDKDLCNNJYJZRK-JEYLPNPQSA-N 0 3 350.459 2.249 10 0 FEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@@H](C)CCc2ccc(OC)c(O)c2)C1 ZINC000263506351 672934668 /nfs/dbraw/zinc/93/46/68/672934668.db2.gz MDKDLCNNJYJZRK-JEYLPNPQSA-N 0 3 350.459 2.249 10 0 FEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H](C)CCc2ccc(OC)c(O)c2)C1 ZINC000263506351 672934672 /nfs/dbraw/zinc/93/46/72/672934672.db2.gz MDKDLCNNJYJZRK-JEYLPNPQSA-N 0 3 350.459 2.249 10 0 FEAEHN COc1ccc(F)cc1CNC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702766438 673058835 /nfs/dbraw/zinc/05/88/35/673058835.db2.gz VUGBVBQDCYJPPF-DZGCQCFKSA-N 0 3 354.422 2.152 10 0 FEAEHN CN(C)C[C@@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000007817187 539467974 /nfs/dbraw/zinc/46/79/74/539467974.db2.gz CTHIXUZCQIZBOT-GOSISDBHSA-N 0 3 365.433 2.092 10 0 FEAEHN CN(C)C[C@H](NC(=O)Nc1ccccc1OCCC(N)=O)c1ccccc1 ZINC000047877404 540332487 /nfs/dbraw/zinc/33/24/87/540332487.db2.gz KTVYVBQJTPCYKR-KRWDZBQOSA-N 0 3 370.453 2.365 10 0 FEAEHN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)N[C@H]2CCCN(CC)C2)c1 ZINC000052525371 540470969 /nfs/dbraw/zinc/47/09/69/540470969.db2.gz JFMPCWKBTRFGAE-QAPCUYQASA-N 0 3 360.502 2.498 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)C1 ZINC000054507741 540592863 /nfs/dbraw/zinc/59/28/63/540592863.db2.gz SXIYNUZZAXPELH-MRXNPFEDSA-N 0 3 374.485 2.073 10 0 FEAEHN CCCc1nc(CS(=O)(=O)C(C)C(=O)N[C@H](C)c2ccccc2)no1 ZINC000066503275 541329843 /nfs/dbraw/zinc/32/98/43/541329843.db2.gz HIFVWXBOAXFWLE-CHWSQXEVSA-N 0 3 365.455 2.203 10 0 FEAEHN CCCc1nc(CS(=O)(=O)C(C)C(=O)N[C@@H](C)c2ccccc2)no1 ZINC000066503273 541330115 /nfs/dbraw/zinc/33/01/15/541330115.db2.gz HIFVWXBOAXFWLE-STQMWFEESA-N 0 3 365.455 2.203 10 0 FEAEHN CC(C)[C@H](C)NC(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000067320710 541444154 /nfs/dbraw/zinc/44/41/54/541444154.db2.gz ALAROKQJWLUHQZ-INIZCTEOSA-N 0 3 372.513 2.318 10 0 FEAEHN CCOC(=O)c1cnn2cc(CN3CCN(C(C)C)[C@H](CC)C3)cnc12 ZINC000072169569 541795213 /nfs/dbraw/zinc/79/52/13/541795213.db2.gz IWPJCCVCHQYQDF-MRXNPFEDSA-N 0 3 359.474 2.211 10 0 FEAEHN O[C@@H]1CCCN(CCNc2nncc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000012709097 220019166 /nfs/dbraw/zinc/01/91/66/220019166.db2.gz ISUSZPHESTWRAH-CQSZACIVSA-N 0 3 367.375 2.426 10 0 FEAEHN C[C@@H](N[C@H](C)c1cccc(Br)c1)C(=O)NC(=O)NC1CC1 ZINC000075671866 542197284 /nfs/dbraw/zinc/19/72/84/542197284.db2.gz CJHNJCLKKOTQPN-NXEZZACHSA-N 0 3 354.248 2.476 10 0 FEAEHN CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCN(C)Cc1ccccc1 ZINC000015773251 211140928 /nfs/dbraw/zinc/14/09/28/211140928.db2.gz AWATYMXCBMYJQZ-HXUWFJFHSA-N 0 3 351.450 2.212 10 0 FEAEHN C[C@H](NC(=O)C1CC1)c1nnc2n1CCN(CCCc1ccccc1)CC2 ZINC000014888870 211104557 /nfs/dbraw/zinc/10/45/57/211104557.db2.gz HKAMZMRFGLNWOJ-INIZCTEOSA-N 0 3 367.497 2.356 10 0 FEAEHN CCCC[C@@H]1C(=O)N(C)CCN1c1ncnc2sc3c(c21)CCNC3 ZINC000065494081 221226084 /nfs/dbraw/zinc/22/60/84/221226084.db2.gz HOKJNHWXMDXUOU-CYBMUJFWSA-N 0 3 359.499 2.174 10 0 FEAEHN Cc1cn2c(ncc(C(=O)N[C@@H](CN(C)C)c3ccccc3)c2=O)s1 ZINC000092861502 542892345 /nfs/dbraw/zinc/89/23/45/542892345.db2.gz IUXSYFYGUOIDEW-HNNXBMFYSA-N 0 3 356.451 2.097 10 0 FEAEHN CN(c1cccnn1)C1CCN(Cc2ccccc2N2CCOCC2)CC1 ZINC000093272698 542922384 /nfs/dbraw/zinc/92/23/84/542922384.db2.gz YWIGAUGIQMPEQG-UHFFFAOYSA-N 0 3 367.497 2.414 10 0 FEAEHN CCn1cnnc1[C@H]1CCCN(CCC(=O)N2CCc3ccccc32)C1 ZINC000103476618 543109999 /nfs/dbraw/zinc/10/99/99/543109999.db2.gz FEHSTSCRYDUMCS-KRWDZBQOSA-N 0 3 353.470 2.457 10 0 FEAEHN COc1ccc(Cl)cc1NC(=O)CCN1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000106099248 543196359 /nfs/dbraw/zinc/19/63/59/543196359.db2.gz CNLVBXFHCNNLDH-ZIAGYGMSSA-N 0 3 369.893 2.064 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)COc2ccc3ccccc3c2)CCN1C[C@@H](C)O ZINC000106103224 543197510 /nfs/dbraw/zinc/19/75/10/543197510.db2.gz ZFQVHAROSKKBBK-UIFIKXQLSA-N 0 3 372.509 2.357 10 0 FEAEHN C[C@@H]1CCC[C@@H](C)N1C(=O)CN(C)C1CCN(CCn2cccn2)CC1 ZINC000106130013 543205447 /nfs/dbraw/zinc/20/54/47/543205447.db2.gz VCNBVIPYEVGTQF-QZTJIDSGSA-N 0 3 361.534 2.069 10 0 FEAEHN C[C@H](C1CC1)N(C(=O)CN(C)C1CCN(CCn2cccn2)CC1)C1CC1 ZINC000106128752 543205781 /nfs/dbraw/zinc/20/57/81/543205781.db2.gz CRWHMMAPHISZIO-QGZVFWFLSA-N 0 3 373.545 2.069 10 0 FEAEHN CC[C@@H]1CN(CCCCN2C(=O)c3ccccc3C2=O)CCN1CCOC ZINC000106115310 543201673 /nfs/dbraw/zinc/20/16/73/543201673.db2.gz NQSXJIWNFWMAPK-QGZVFWFLSA-N 0 3 373.497 2.105 10 0 FEAEHN CCOCCN1CCN(C[C@H](O)COc2ccccc2C)C[C@H]1CC ZINC000106116646 543202873 /nfs/dbraw/zinc/20/28/73/543202873.db2.gz DMTASUGDJRUSBC-MOPGFXCFSA-N 0 3 350.503 2.167 10 0 FEAEHN CCOCCN1CCN(C[C@H](O)COc2cc(C)ccc2C)C[C@@H]1CC ZINC000106116575 543202938 /nfs/dbraw/zinc/20/29/38/543202938.db2.gz TUOWRNVDGWEGDL-PMACEKPBSA-N 0 3 364.530 2.476 10 0 FEAEHN COCc1ccc(C(=O)N(C)C2CCN(CCn3cccn3)CC2)cc1 ZINC000109291835 543320501 /nfs/dbraw/zinc/32/05/01/543320501.db2.gz SXKLULGWWFPINL-UHFFFAOYSA-N 0 3 356.470 2.266 10 0 FEAEHN Cc1ncc(CN2CCN(C(=O)c3ccc(CN(C)C)cc3)CC2)s1 ZINC000110941140 543374569 /nfs/dbraw/zinc/37/45/69/543374569.db2.gz YUNAUIGNOYTDIS-UHFFFAOYSA-N 0 3 358.511 2.471 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)NCc1ccccc1Cl)CC2 ZINC000112550645 543451294 /nfs/dbraw/zinc/45/12/94/543451294.db2.gz FVCGTPTUGZYVQC-JSGCOSHPSA-N 0 3 361.877 2.103 10 0 FEAEHN Cc1nc(NC(=O)[C@@H](C)N[C@@H]2CCc3nc(C(C)C)nn3C2)sc1C ZINC000112551613 543452115 /nfs/dbraw/zinc/45/21/15/543452115.db2.gz VNPLPUXZNGBQQE-DGCLKSJQSA-N 0 3 362.503 2.406 10 0 FEAEHN CC(C)COC(=O)N1CCC(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)CC1 ZINC000113225885 543477627 /nfs/dbraw/zinc/47/76/27/543477627.db2.gz DLCUKWONIOYEJG-DOTOQJQBSA-N 0 3 351.491 2.186 10 0 FEAEHN COc1ccc(C)cc1-n1ccc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)n1 ZINC000113231042 543478133 /nfs/dbraw/zinc/47/81/33/543478133.db2.gz OXNJDSSGQFWGEE-JKSUJKDBSA-N 0 3 354.454 2.498 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2nc3c(ccc4c3CCCC4)s2)C1 ZINC000114043172 543502516 /nfs/dbraw/zinc/50/25/16/543502516.db2.gz NCXROJVQGGAUCK-ZDUSSCGKSA-N 0 3 372.494 2.276 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@]1(C)CCCN1C(=O)c1ccccc1 ZINC000116764612 543615167 /nfs/dbraw/zinc/61/51/67/543615167.db2.gz FZFPJIKCKMMVJP-BLIXFSHQSA-N 0 3 355.482 2.376 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NCCc2ccc(C(F)(F)F)cc2)CCO1 ZINC000116928800 543619679 /nfs/dbraw/zinc/61/96/79/543619679.db2.gz VYDVLXFZDBWHFC-HNNXBMFYSA-N 0 3 359.392 2.220 10 0 FEAEHN c1nc(N2CCOCC2)sc1CN1CC[C@@H](CNc2ccccn2)C1 ZINC000128242790 544040882 /nfs/dbraw/zinc/04/08/82/544040882.db2.gz DWTJOVAHZLAHGF-HNNXBMFYSA-N 0 3 359.499 2.309 10 0 FEAEHN C[C@H](CNC(=O)N[C@H]1CCCc2cc(F)ccc21)CN1CCN(C)CC1 ZINC000129077313 544089169 /nfs/dbraw/zinc/08/91/69/544089169.db2.gz MFJXFCOSPFLYAY-BEFAXECRSA-N 0 3 362.493 2.386 10 0 FEAEHN CCN(C(=O)c1ccc2nnc([C@@H]3CCN(CCOC)C3)n2c1)C(C)C ZINC000096267502 222107827 /nfs/dbraw/zinc/10/78/27/222107827.db2.gz SDVRNLSXLXWXSA-OAHLLOKOSA-N 0 3 359.474 2.036 10 0 FEAEHN Cc1ccc(CNC(=O)N2CCO[C@@H](CN(C)C)C2)c(OCC2CC2)c1 ZINC000132912691 544248147 /nfs/dbraw/zinc/24/81/47/544248147.db2.gz PJIZYZXQYSQZAZ-SFHVURJKSA-N 0 3 361.486 2.256 10 0 FEAEHN CCOCCN1CCN(CCC(=O)Nc2ccccc2OCC)C[C@@H]1C ZINC000137131823 544385530 /nfs/dbraw/zinc/38/55/30/544385530.db2.gz MCOUBXXAWQYCKD-KRWDZBQOSA-N 0 3 363.502 2.457 10 0 FEAEHN C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)c2ccccc21 ZINC000151605785 544560892 /nfs/dbraw/zinc/56/08/92/544560892.db2.gz UCVZSJPYADFHEW-YOEHRIQHSA-N 0 3 369.469 2.138 10 0 FEAEHN CCN(CC(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1)C1CC1 ZINC000153420450 544773495 /nfs/dbraw/zinc/77/34/95/544773495.db2.gz KWJQLEPVFQVJMP-NRFANRHFSA-N 0 3 373.541 2.375 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000153884176 544835384 /nfs/dbraw/zinc/83/53/84/544835384.db2.gz ZRRSGHJPYUFEDW-MRXNPFEDSA-N 0 3 356.426 2.223 10 0 FEAEHN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN[C@H](C)[C@@H]1CCCO1 ZINC000183101283 327801635 /nfs/dbraw/zinc/80/16/35/327801635.db2.gz HJSJHFIAVKYLEL-UZLBHIALSA-N 0 3 370.497 2.322 10 0 FEAEHN CCO[C@@H]1C[C@H]([NH2+]CCCNC(=O)c2cccc([O-])c2)C12CCOCC2 ZINC000186307263 327956305 /nfs/dbraw/zinc/95/63/05/327956305.db2.gz UEPILKFUUSPYMT-ZWKOTPCHSA-N 0 3 362.470 2.076 10 0 FEAEHN COC(=O)[C@@]1(C)CCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000187624662 328036511 /nfs/dbraw/zinc/03/65/11/328036511.db2.gz MJPOYJBQFDDCRC-OAQYLSRUSA-N 0 3 373.497 2.143 10 0 FEAEHN CN(C)C(=O)COc1ccccc1CN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000190285984 328198243 /nfs/dbraw/zinc/19/82/43/328198243.db2.gz UUZHCBLTQPIKSK-ROUUACIJSA-N 0 3 374.506 2.423 10 0 FEAEHN CCn1cc([C@@H]2CN(C(=O)NC[C@@H](c3ccccc3)N(C)C)CCO2)cn1 ZINC000190357687 328202678 /nfs/dbraw/zinc/20/26/78/328202678.db2.gz QDUFGDUGCYGPFP-OALUTQOASA-N 0 3 371.485 2.289 10 0 FEAEHN CC(=O)N[C@H](C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1)C1CCCC1 ZINC000190586542 328217883 /nfs/dbraw/zinc/21/78/83/328217883.db2.gz HTHNCSKQOSLUKI-QUCCMNQESA-N 0 3 372.513 2.057 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC000190648795 328221914 /nfs/dbraw/zinc/22/19/14/328221914.db2.gz LSHSXESEFBTTJU-XLIONFOSSA-N 0 3 351.450 2.366 10 0 FEAEHN C[C@@H](CNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1)Cn1cccn1 ZINC000190699822 328225726 /nfs/dbraw/zinc/22/57/26/328225726.db2.gz YQNQBWMVMKDVAC-HKUYNNGSSA-N 0 3 370.501 2.078 10 0 FEAEHN CCN(CC(=O)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000191589676 328272903 /nfs/dbraw/zinc/27/29/03/328272903.db2.gz ICNNJNKHRPJBPW-INIZCTEOSA-N 0 3 367.534 2.125 10 0 FEAEHN CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NCC(=O)Nc1nccs1 ZINC000191913401 328288442 /nfs/dbraw/zinc/28/84/42/328288442.db2.gz SSZONNAYUIIMEP-NEPJUHHUSA-N 0 3 354.476 2.365 10 0 FEAEHN Cc1cc(N2CCC[C@@H](NCCCc3ccc4c(c3)CCO4)C2=O)n(C)n1 ZINC000193299839 328367609 /nfs/dbraw/zinc/36/76/09/328367609.db2.gz DCHCFLHPWCWPOS-GOSISDBHSA-N 0 3 368.481 2.381 10 0 FEAEHN CN(C)C[C@H](NC(=O)CSc1nnnn1C1CCCC1)c1ccccc1 ZINC000044344002 324558589 /nfs/dbraw/zinc/55/85/89/324558589.db2.gz KWTXJDPPJMPMLL-INIZCTEOSA-N 0 3 374.514 2.299 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)NCCNC(=O)c1ccccc1Cl ZINC000079131772 325077355 /nfs/dbraw/zinc/07/73/55/325077355.db2.gz HGLUDLGKMHGZRQ-AWEZNQCLSA-N 0 3 368.909 2.345 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000079495486 325093112 /nfs/dbraw/zinc/09/31/12/325093112.db2.gz BJVDQHXWSAGNEJ-IBGZPJMESA-N 0 3 374.529 2.059 10 0 FEAEHN CCn1ccnc1CS(=O)(=O)C(C)C(=O)NCc1ccccc1Cl ZINC000083066828 325212496 /nfs/dbraw/zinc/21/24/96/325212496.db2.gz UBUOJSLUONKIQH-GFCCVEGCSA-N 0 3 369.874 2.176 10 0 FEAEHN CCn1ccnc1CS(=O)(=O)C(C)C(=O)NCc1ccccc1Cl ZINC000083066827 325213000 /nfs/dbraw/zinc/21/30/00/325213000.db2.gz UBUOJSLUONKIQH-LBPRGKRZSA-N 0 3 369.874 2.176 10 0 FEAEHN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000083724801 325223621 /nfs/dbraw/zinc/22/36/21/325223621.db2.gz ABVDHIKNTXTGMC-QZTJIDSGSA-N 0 3 368.485 2.385 10 0 FEAEHN CCOc1ccc(OC[C@H](O)CN2CCC(Cn3cccn3)CC2)cc1 ZINC000106182452 325589608 /nfs/dbraw/zinc/58/96/08/325589608.db2.gz CJYVIPCIAOPVFO-GOSISDBHSA-N 0 3 359.470 2.434 10 0 FEAEHN CN(C(=O)NCCOc1ccccc1)C1CCN(CCn2cccn2)CC1 ZINC000109391671 325666624 /nfs/dbraw/zinc/66/66/24/325666624.db2.gz QFLCWUJGERIXQH-UHFFFAOYSA-N 0 3 371.485 2.068 10 0 FEAEHN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N[C@@H]1CCc2ncnn2C1 ZINC000112550132 325790238 /nfs/dbraw/zinc/79/02/38/325790238.db2.gz RRHPBGIXIJGQQJ-NWDGAFQWSA-N 0 3 363.849 2.180 10 0 FEAEHN CN(C)C[C@@H]1CN([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CCO1 ZINC000113253236 325833416 /nfs/dbraw/zinc/83/34/16/325833416.db2.gz WQZUWADQYRIKKJ-HZPDHXFCSA-N 0 3 371.403 2.073 10 0 FEAEHN C[C@H](CNC(=O)N1CC[C@@H](c2cnn(C)c2)C1)N(C)Cc1ccccc1 ZINC000116431785 326014543 /nfs/dbraw/zinc/01/45/43/326014543.db2.gz XKDYJXDJPSZLAN-SJLPKXTDSA-N 0 3 355.486 2.440 10 0 FEAEHN CCOc1c(Cl)cc(C(=O)N2CCO[C@@H](CN(C)C)C2)cc1OC ZINC000116786608 326035331 /nfs/dbraw/zinc/03/53/31/326035331.db2.gz GWZKVNKZIDJTRE-ZDUSSCGKSA-N 0 3 356.850 2.150 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)COc2ccc(Cl)c3cccnc23)CCO1 ZINC000116791414 326036126 /nfs/dbraw/zinc/03/61/26/326036126.db2.gz AXFJNHKJTWQUPI-ZDUSSCGKSA-N 0 3 363.845 2.056 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NCc2cc(F)ccc2Br)CCO1 ZINC000117036577 326048242 /nfs/dbraw/zinc/04/82/42/326048242.db2.gz CNCFHUXIACEWNC-ZDUSSCGKSA-N 0 3 374.254 2.060 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000119292082 326145703 /nfs/dbraw/zinc/14/57/03/326145703.db2.gz LPAQKAFIGIYJLV-QAPCUYQASA-N 0 3 374.485 2.009 10 0 FEAEHN O=C(NCc1ccccc1OCC1CC1)NC[C@@H](O)CN1CCCCC1 ZINC000121314673 326329057 /nfs/dbraw/zinc/32/90/57/326329057.db2.gz CTXRXCXIXVNNKB-GOSISDBHSA-N 0 3 361.486 2.121 10 0 FEAEHN CS(=O)(=O)c1ccccc1NC1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000132946825 326600404 /nfs/dbraw/zinc/60/04/04/326600404.db2.gz ZJAKNXCJULGKBV-IAGOWNOFSA-N 0 3 352.500 2.270 10 0 FEAEHN CCOC(=O)C[C@@H](NC(=O)C[C@H]1CSCCN1)c1ccccc1C ZINC000133289390 326606204 /nfs/dbraw/zinc/60/62/04/326606204.db2.gz XWYAZJMIKWSQOZ-GOEBONIOSA-N 0 3 350.484 2.201 10 0 FEAEHN C[C@@H]1CC[C@@H](C(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)O1 ZINC000151221742 326677488 /nfs/dbraw/zinc/67/74/88/326677488.db2.gz LPYUMAQYPKTUJJ-QRVBRYPASA-N 0 3 372.513 2.010 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](NC(=O)NC[C@@H](c1ccccc1)N(C)C)CC2 ZINC000155100601 326777802 /nfs/dbraw/zinc/77/78/02/326777802.db2.gz OPUXTFBUZPLZCH-SJORKVTESA-N 0 3 370.501 2.318 10 0 FEAEHN CN(C)C[C@H]1CN(CC(=O)Nc2ccccc2Cc2ccccc2)CCO1 ZINC000155271360 326783093 /nfs/dbraw/zinc/78/30/93/326783093.db2.gz WOJSYPCUYGGLHF-FQEVSTJZSA-N 0 3 367.493 2.478 10 0 FEAEHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000158719390 326905044 /nfs/dbraw/zinc/90/50/44/326905044.db2.gz UCPUWBOYWICJGL-NSHDSACASA-N 0 3 362.879 2.135 10 0 FEAEHN CCCS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CCCN(CC)C2)cc1 ZINC000170827876 327101138 /nfs/dbraw/zinc/10/11/38/327101138.db2.gz CKCFSKXVVFSJCR-MRXNPFEDSA-N 0 3 353.488 2.052 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000170844635 327102121 /nfs/dbraw/zinc/10/21/21/327102121.db2.gz MCIQEXDMNJOMBY-SNVBAGLBSA-N 0 3 361.776 2.042 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)Nc2cccc(I)c2)C1 ZINC000171070090 327115619 /nfs/dbraw/zinc/11/56/19/327115619.db2.gz YFFWCMWZBRJRQC-LBPRGKRZSA-N 0 3 359.211 2.459 10 0 FEAEHN Cc1nc(C[C@@H]2CCCN(CCC(=O)NC(=O)Nc3ccccc3)C2)no1 ZINC000171503848 327142948 /nfs/dbraw/zinc/14/29/48/327142948.db2.gz WVMFPDQSRLEXEE-HNNXBMFYSA-N 0 3 371.441 2.371 10 0 FEAEHN Cc1ccccc1CNC(=O)C(C)S(=O)(=O)Cc1nccn1C(C)C ZINC000171674621 327154193 /nfs/dbraw/zinc/15/41/93/327154193.db2.gz BSBUJVHYDITDTI-HNNXBMFYSA-N 0 3 363.483 2.392 10 0 FEAEHN Cc1cc(C)n(C[C@@H]2CN(C(=O)Nc3cccc(CN(C)C)c3)CCO2)n1 ZINC000171806776 327162834 /nfs/dbraw/zinc/16/28/34/327162834.db2.gz CTLHMJUVKWIKFW-IBGZPJMESA-N 0 3 371.485 2.494 10 0 FEAEHN O=C(Nc1cccc(CNC(=O)N2CCN3CCC[C@H]3C2)c1)C1CCC1 ZINC000171900307 327168806 /nfs/dbraw/zinc/16/88/06/327168806.db2.gz IFOFFMPAXATGFX-SFHVURJKSA-N 0 3 356.470 2.415 10 0 FEAEHN CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000171906392 327169241 /nfs/dbraw/zinc/16/92/41/327169241.db2.gz FERAKJPBGVMOOR-HZPDHXFCSA-N 0 3 366.506 2.123 10 0 FEAEHN CC(C)S(=O)(=O)Cc1cccc(NC(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000171921615 327170540 /nfs/dbraw/zinc/17/05/40/327170540.db2.gz WVGLIGCGVNIMED-KRWDZBQOSA-N 0 3 365.499 2.322 10 0 FEAEHN CN(CCc1ccc(Cl)cc1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000172079132 327179829 /nfs/dbraw/zinc/17/98/29/327179829.db2.gz MPKQYXPGMKWFRE-MRXNPFEDSA-N 0 3 372.852 2.471 10 0 FEAEHN COc1cc(C(=O)N2CCN3CCC[C@@H]3C2)cc(OC)c1OC(F)F ZINC000173098488 327234993 /nfs/dbraw/zinc/23/49/93/327234993.db2.gz OKCIATNTGWRTES-GFCCVEGCSA-N 0 3 356.369 2.225 10 0 FEAEHN CN(C)C[C@@H](NC(=O)c1cn(Cc2cccs2)nn1)c1ccccc1 ZINC000173142740 327237422 /nfs/dbraw/zinc/23/74/22/327237422.db2.gz SABAAMQXAIBODG-MRXNPFEDSA-N 0 3 355.467 2.421 10 0 FEAEHN COCCN1CCC[C@@H]1CNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173173903 327238922 /nfs/dbraw/zinc/23/89/22/327238922.db2.gz PWVZMORYMCWFBG-QFBILLFUSA-N 0 3 371.485 2.343 10 0 FEAEHN CCN(CC)C(=O)[C@H](C)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000173646347 327273439 /nfs/dbraw/zinc/27/34/39/327273439.db2.gz IXVOXROXYWRSJN-JKSUJKDBSA-N 0 3 353.532 2.276 10 0 FEAEHN CN(C)C[C@H]1CN(CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CCO1 ZINC000173702198 327278054 /nfs/dbraw/zinc/27/80/54/327278054.db2.gz ZKLWLZZNUSJRNE-SFHVURJKSA-N 0 3 365.493 2.215 10 0 FEAEHN CC(C)CC(=O)Nc1ccc(C(=O)N2CCO[C@@H](CN(C)C)C2)cc1F ZINC000173792334 327284414 /nfs/dbraw/zinc/28/44/14/327284414.db2.gz LXYFUAFYDDSWQE-HNNXBMFYSA-N 0 3 365.449 2.213 10 0 FEAEHN COCCCCNC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000173887116 327291671 /nfs/dbraw/zinc/29/16/71/327291671.db2.gz CQODNTIUVKSMKZ-IBGZPJMESA-N 0 3 363.502 2.158 10 0 FEAEHN O=C(CCN1CC[C@H](N2CCOCC2)C1)Nc1ccc(Cl)cc1F ZINC000173933308 327295442 /nfs/dbraw/zinc/29/54/42/327295442.db2.gz MSYHUTFMIFOJEN-AWEZNQCLSA-N 0 3 355.841 2.214 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)C1 ZINC000173956480 327297830 /nfs/dbraw/zinc/29/78/30/327297830.db2.gz UCJOJKZRJKAFDV-LBPRGKRZSA-N 0 3 350.369 2.454 10 0 FEAEHN CCn1cc(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000174853554 327355286 /nfs/dbraw/zinc/35/52/86/327355286.db2.gz HBOXVKCUUBTLMR-LJQANCHMSA-N 0 3 356.470 2.078 10 0 FEAEHN C[C@H](CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)N1CCOCC1 ZINC000175010374 327367705 /nfs/dbraw/zinc/36/77/05/327367705.db2.gz FYABSNUKBSQNAY-RTBURBONSA-N 0 3 374.529 2.013 10 0 FEAEHN CNC(=O)CC1CCN(C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000175025365 327368847 /nfs/dbraw/zinc/36/88/47/327368847.db2.gz KCDWQALXRTXINT-QGZVFWFLSA-N 0 3 354.878 2.066 10 0 FEAEHN CCN1CCC[C@H]1CNC(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000175363938 327389067 /nfs/dbraw/zinc/38/90/67/327389067.db2.gz UMUNJGBQZOIAEA-KRWDZBQOSA-N 0 3 365.547 2.153 10 0 FEAEHN CCO[C@@H]1C[C@@H](NC(=O)NC[C@H](O)CN2CCCCC2)C1(CC)CC ZINC000176670357 327469374 /nfs/dbraw/zinc/46/93/74/327469374.db2.gz STZNDFOZTKBGBO-GVDBMIGSSA-N 0 3 355.523 2.116 10 0 FEAEHN CC(C)OCCN1CCC(NC(=O)[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000176687234 327470184 /nfs/dbraw/zinc/47/01/84/327470184.db2.gz UPEXVXYQPLWAHD-HXUWFJFHSA-N 0 3 361.530 2.165 10 0 FEAEHN O=C1CCCN1C[C@@H](O)CNC1(c2ccc(Br)cc2)CCC1 ZINC000178515801 327589779 /nfs/dbraw/zinc/58/97/79/327589779.db2.gz HENJSCAGOCXHED-HNNXBMFYSA-N 0 3 367.287 2.401 10 0 FEAEHN O=C(Nc1ccc2c(c1F)CCNC2)c1cccc(C(=O)N2CCCC2)n1 ZINC000261653785 328809198 /nfs/dbraw/zinc/80/91/98/328809198.db2.gz DMLNQBJDJRFOIB-UHFFFAOYSA-N 0 3 368.412 2.355 10 0 FEAEHN CCNC(=O)N1CCc2ccc(N[C@@H]3CCC[C@H]3[C@@H]3COCCN3)cc21 ZINC000261950111 328831268 /nfs/dbraw/zinc/83/12/68/328831268.db2.gz OFDODQTUHQYBLI-KURKYZTESA-N 0 3 358.486 2.348 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2csc(Cc3ccc(F)cc3)n2)n1 ZINC000263172336 328922066 /nfs/dbraw/zinc/92/20/66/328922066.db2.gz FWOQJZDIUWMSEY-AWEZNQCLSA-N 0 3 359.430 2.499 10 0 FEAEHN Cc1ccc(C(=O)N[C@@H](c2nc([C@@H]3CNCCN3C)no2)C(C)C)cc1 ZINC000263191535 328923727 /nfs/dbraw/zinc/92/37/27/328923727.db2.gz HYEFMAPSPYZSJL-JKSUJKDBSA-N 0 3 357.458 2.081 10 0 FEAEHN CN1CCNC[C@@H]1c1noc([C@H]2CCCCN2C(=O)c2cccs2)n1 ZINC000263314552 328932336 /nfs/dbraw/zinc/93/23/36/328932336.db2.gz ZGQDFTVZIKDFHA-CHWSQXEVSA-N 0 3 361.471 2.075 10 0 FEAEHN Cc1cc(C[C@@H](C)NC(=O)N2CC[C@H](N(C)C)C2)n(-c2ccccc2)n1 ZINC000132478029 518187214 /nfs/dbraw/zinc/18/72/14/518187214.db2.gz FXMQMCANPMANQX-QAPCUYQASA-N 0 3 355.486 2.457 10 0 FEAEHN CC[C@@H](NC(=O)CN1CCO[C@H](CN(C)C)C1)c1ccc(Cl)cc1 ZINC000155321332 545510997 /nfs/dbraw/zinc/51/09/97/545510997.db2.gz DIVLYAWNSSQJNC-IAGOWNOFSA-N 0 3 353.894 2.170 10 0 FEAEHN Cc1ccc([C@@H](C)NC2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)o1 ZINC000157498584 545748099 /nfs/dbraw/zinc/74/80/99/545748099.db2.gz GIFLXCNNLCICJY-GFCCVEGCSA-N 0 3 366.487 2.432 10 0 FEAEHN CN(C)C[C@@H]1CN(CC(=O)NCC2(c3ccccc3)CCCCC2)CCO1 ZINC000157811713 545787315 /nfs/dbraw/zinc/78/73/15/545787315.db2.gz PCDVHNWFDSIULS-HXUWFJFHSA-N 0 3 373.541 2.267 10 0 FEAEHN O=C(NC[C@H](O)CN1CCc2ccccc2C1)C1(c2cccc(F)c2)CC1 ZINC000159140629 545924656 /nfs/dbraw/zinc/92/46/56/545924656.db2.gz WZUPPYWZVFWUHI-FQEVSTJZSA-N 0 3 368.452 2.393 10 0 FEAEHN O=C(Cc1ccc(Cl)cc1)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000159297132 545940721 /nfs/dbraw/zinc/94/07/21/545940721.db2.gz OCHWVYZSNAEWBH-IBGZPJMESA-N 0 3 358.869 2.418 10 0 FEAEHN COc1ccc2cc(NC(=O)NC[C@H](O)CN3CCCCC3)ccc2n1 ZINC000171279679 546200956 /nfs/dbraw/zinc/20/09/56/546200956.db2.gz MRMDQMOITJSZDL-INIZCTEOSA-N 0 3 358.442 2.212 10 0 FEAEHN Cc1cnn(CCNC(=O)NCC(C)(C)N2CCc3ccccc3C2)c1 ZINC000172275301 546243741 /nfs/dbraw/zinc/24/37/41/546243741.db2.gz AMMKCMBTXVSWGU-UHFFFAOYSA-N 0 3 355.486 2.328 10 0 FEAEHN O=C(NCc1nc(CN2CCN3CCC[C@@H]3C2)cs1)c1ccccc1 ZINC000175654080 546328318 /nfs/dbraw/zinc/32/83/18/546328318.db2.gz QXYDVSOTCQIRJN-QGZVFWFLSA-N 0 3 356.495 2.353 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)NCc2nccn2CCCc2ccccc2)C1 ZINC000175926970 546373837 /nfs/dbraw/zinc/37/38/37/546373837.db2.gz GFKBWLVPMFKYDY-SFHVURJKSA-N 0 3 355.486 2.361 10 0 FEAEHN C[C@H](CNC(=O)NC[C@H](O)CN1CCCCC1)Oc1cccc(Cl)c1 ZINC000176145699 546413362 /nfs/dbraw/zinc/41/33/62/546413362.db2.gz DKQHDICUYULTRU-ZBFHGGJFSA-N 0 3 369.893 2.253 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000176305720 546429897 /nfs/dbraw/zinc/42/98/97/546429897.db2.gz BFTUIGZLDRSDDQ-SFHVURJKSA-N 0 3 374.485 2.107 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCCCNC(=O)c1cccc(F)c1 ZINC000176348785 546434549 /nfs/dbraw/zinc/43/45/49/546434549.db2.gz ROJGCTLFMRFAFY-QGZVFWFLSA-N 0 3 364.465 2.071 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1cccc(CS(C)(=O)=O)c1C ZINC000176356734 546435217 /nfs/dbraw/zinc/43/52/17/546435217.db2.gz OHIHGYOJWUKEDH-INIZCTEOSA-N 0 3 367.515 2.488 10 0 FEAEHN CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176604463 546466971 /nfs/dbraw/zinc/46/69/71/546466971.db2.gz HHFRCHIOPRMNCG-MRXNPFEDSA-N 0 3 360.437 2.026 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC1CCN(c2cc(C)nc(C)n2)CC1 ZINC000176886051 546500669 /nfs/dbraw/zinc/50/06/69/546500669.db2.gz FAHFKDVIUMDGSD-SFHVURJKSA-N 0 3 374.533 2.188 10 0 FEAEHN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N[C@@H]1CCCN(CC)C1 ZINC000177268366 546583494 /nfs/dbraw/zinc/58/34/94/546583494.db2.gz MYACPNPEZGNFIT-OAHLLOKOSA-N 0 3 362.474 2.393 10 0 FEAEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)[C@H]1CCCOC1 ZINC000177466220 546625117 /nfs/dbraw/zinc/62/51/17/546625117.db2.gz LSTWASGBOCNJCX-PMACEKPBSA-N 0 3 360.498 2.317 10 0 FEAEHN CCCOc1ccc(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)cc1Cl ZINC000177680663 546665974 /nfs/dbraw/zinc/66/59/74/546665974.db2.gz GGJUIRIJYARLDP-AWEZNQCLSA-N 0 3 365.861 2.374 10 0 FEAEHN CC(C)Oc1ccc(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)cc1Cl ZINC000177680621 546666124 /nfs/dbraw/zinc/66/61/24/546666124.db2.gz YQIFDTBLSHHJAH-CQSZACIVSA-N 0 3 365.861 2.372 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000177694873 546668785 /nfs/dbraw/zinc/66/87/85/546668785.db2.gz HCEFDOAKYGJLBB-GOSISDBHSA-N 0 3 359.518 2.427 10 0 FEAEHN O[C@H](COc1cccc(Br)c1)CN1CCN2CCCC[C@@H]2C1 ZINC000177779183 546684410 /nfs/dbraw/zinc/68/44/10/546684410.db2.gz LATQGIMCHPBVIM-CVEARBPZSA-N 0 3 369.303 2.359 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000178289631 546770332 /nfs/dbraw/zinc/77/03/32/546770332.db2.gz GROIALURYIZNKQ-FUHWJXTLSA-N 0 3 354.454 2.296 10 0 FEAEHN COc1ccccc1CNC(=O)[C@H](C)N1CCC[C@@H]1Cn1ccnc1C ZINC000178328890 546776132 /nfs/dbraw/zinc/77/61/32/546776132.db2.gz YIMDJPHQCIDTDY-MAUKXSAKSA-N 0 3 356.470 2.369 10 0 FEAEHN Cc1nc(C)n(C[C@H]2CCCN(C[C@H](O)COc3ccccc3F)C2)n1 ZINC000178611940 546820220 /nfs/dbraw/zinc/82/02/20/546820220.db2.gz QXWVDBMSIYCZKJ-IRXDYDNUSA-N 0 3 362.449 2.186 10 0 FEAEHN C[C@H](NC(=O)CN1CCN2CCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000178622700 546822068 /nfs/dbraw/zinc/82/20/68/546822068.db2.gz WWCLYOPFCQGLBW-XJKSGUPXSA-N 0 3 366.303 2.406 10 0 FEAEHN CN(C)c1nnc(-c2ccc(NC(=O)N3CCN4CCC[C@@H]4C3)cc2)o1 ZINC000179766023 547010985 /nfs/dbraw/zinc/01/09/85/547010985.db2.gz SGGLQGMCDOWJJD-OAHLLOKOSA-N 0 3 356.430 2.115 10 0 FEAEHN C[C@H]1CN(Cc2ccc(Oc3cnccn3)cc2)C[C@@H]1N1CCOCC1 ZINC000180235235 547071180 /nfs/dbraw/zinc/07/11/80/547071180.db2.gz LGMIYLPKHXTCHG-LPHOPBHVSA-N 0 3 354.454 2.421 10 0 FEAEHN CCN1CCC[C@H](NC2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)C1 ZINC000180493749 547119115 /nfs/dbraw/zinc/11/91/15/547119115.db2.gz LBHPERTWEPGDGF-HNNXBMFYSA-N 0 3 354.491 2.112 10 0 FEAEHN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000181305597 547290817 /nfs/dbraw/zinc/29/08/17/547290817.db2.gz JAVBLBXEJGERQM-PBHICJAKSA-N 0 3 356.474 2.241 10 0 FEAEHN CC(C)CCOc1ccc([C@@H](C)NCc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000181734406 547369611 /nfs/dbraw/zinc/36/96/11/547369611.db2.gz VZMKKGBPLKUIHQ-OAHLLOKOSA-N 0 3 359.470 2.360 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)C1 ZINC000184165508 547779707 /nfs/dbraw/zinc/77/97/07/547779707.db2.gz XYWJWNJTBICISV-QGZVFWFLSA-N 0 3 372.469 2.332 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCN([C@@H](C)c3nccs3)CC2)C1 ZINC000184595835 547851056 /nfs/dbraw/zinc/85/10/56/547851056.db2.gz YMNVSCNJZPVJBA-GJZGRUSLSA-N 0 3 351.520 2.016 10 0 FEAEHN CCc1c(C(=O)N2CCN3CCC[C@H]3C2)cnn1-c1ccc(OC)cc1 ZINC000185403685 547979822 /nfs/dbraw/zinc/97/98/22/547979822.db2.gz XCQXOMJMLRVECH-INIZCTEOSA-N 0 3 354.454 2.364 10 0 FEAEHN COC1(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)CCCCC1 ZINC000185414510 547981556 /nfs/dbraw/zinc/98/15/56/547981556.db2.gz KDFQKOOCOMXVIH-UHFFFAOYSA-N 0 3 360.502 2.141 10 0 FEAEHN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000185412865 547982198 /nfs/dbraw/zinc/98/21/98/547982198.db2.gz FUTVHZHAXIHIBM-GOEBONIOSA-N 0 3 365.522 2.154 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000185679867 548019345 /nfs/dbraw/zinc/01/93/45/548019345.db2.gz QZXOBLPMJNIFFA-FHWLQOOXSA-N 0 3 361.486 2.053 10 0 FEAEHN CC(C)N(C)C(=O)[C@@H](C)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000185996143 548070540 /nfs/dbraw/zinc/07/05/40/548070540.db2.gz OGHKAEKGFDLJNV-QXSJWSMHSA-N 0 3 353.507 2.477 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000192344559 548362556 /nfs/dbraw/zinc/36/25/56/548362556.db2.gz DMBRDHLZQQQMJE-VQTJNVASSA-N 0 3 374.529 2.061 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)C1 ZINC000194176970 548444940 /nfs/dbraw/zinc/44/49/40/548444940.db2.gz VPDOZIBVOSGYGN-GOSISDBHSA-N 0 3 364.534 2.295 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1nnn(Cc2ccc(F)cc2)c1C ZINC000194532696 548495670 /nfs/dbraw/zinc/49/56/70/548495670.db2.gz ORBDWYMVUJFCSA-ZWKOTPCHSA-N 0 3 371.460 2.473 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCc1cccc(CS(C)(=O)=O)c1 ZINC000194867468 548541988 /nfs/dbraw/zinc/54/19/88/548541988.db2.gz SRSIDCXQNYWFIM-QGZVFWFLSA-N 0 3 369.531 2.007 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Nc2cc(F)cc(N3CCOCC3)c2)C1 ZINC000194982480 548559152 /nfs/dbraw/zinc/55/91/52/548559152.db2.gz GYSCTPCLZHNIJC-OAHLLOKOSA-N 0 3 350.438 2.268 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(CC(=O)N2CCCCC2)C1 ZINC000195250619 548603770 /nfs/dbraw/zinc/60/37/70/548603770.db2.gz AVLICXXAIAYECK-INIZCTEOSA-N 0 3 350.532 2.218 10 0 FEAEHN CCC[C@@H](N)C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000236919992 548788428 /nfs/dbraw/zinc/78/84/28/548788428.db2.gz GVRXBYUORULVCC-CYBMUJFWSA-N 0 3 358.269 2.405 10 0 FEAEHN O=C1C[C@@H](c2ccccc2)N(C[C@@H](O)COCc2ccccc2)CCN1 ZINC000245199590 548900258 /nfs/dbraw/zinc/90/02/58/548900258.db2.gz JOMSVMDECJDGHA-UXHICEINSA-N 0 3 354.450 2.127 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000245416808 548913080 /nfs/dbraw/zinc/91/30/80/548913080.db2.gz IZSOYJSPJTYHCF-WOJBJXKFSA-N 0 3 374.529 2.186 10 0 FEAEHN O=C([C@H]1COc2ccc(Br)cc21)N1CCN2CCC[C@H]2C1 ZINC000245622192 548959525 /nfs/dbraw/zinc/95/95/25/548959525.db2.gz FLGMDTZKATZBLY-JSGCOSHPSA-N 0 3 351.244 2.232 10 0 FEAEHN CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000245624526 548960323 /nfs/dbraw/zinc/96/03/23/548960323.db2.gz GDBFAOHSVWRDRS-ZIFCJYIRSA-N 0 3 361.461 2.336 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000245755392 548989592 /nfs/dbraw/zinc/98/95/92/548989592.db2.gz HLHAYWFFSOQDRA-XOKHGSTOSA-N 0 3 352.429 2.056 10 0 FEAEHN COc1cc(CN2CCN(C[C@H](C)O)[C@H](C)C2)c(SC)cc1OC ZINC000245760002 548989872 /nfs/dbraw/zinc/98/98/72/548989872.db2.gz PNPPBIGZOVCFKD-KGLIPLIRSA-N 0 3 354.516 2.313 10 0 FEAEHN CCC[C@H]1CN(C(=O)[C@H](Cc2ccccc2)N(C)C)CCN1CCOC ZINC000245912377 549017113 /nfs/dbraw/zinc/01/71/13/549017113.db2.gz MRHDISGAWUQNCR-PMACEKPBSA-N 0 3 361.530 2.119 10 0 FEAEHN CCOCCOc1ccc(S(=O)(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000246165484 549068120 /nfs/dbraw/zinc/06/81/20/549068120.db2.gz MGRVSCSZFCIIGG-QAPCUYQASA-N 0 3 370.515 2.109 10 0 FEAEHN CCOCCN1CCN(C[C@@H](O)COCc2ccccc2Cl)C[C@@H]1C ZINC000246215295 549080502 /nfs/dbraw/zinc/08/05/02/549080502.db2.gz AWFDSXGTGLIBCC-FUHWJXTLSA-N 0 3 370.921 2.260 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)Cc2ccccc2C(F)(F)F)CCN1C[C@H](C)O ZINC000246316348 549103701 /nfs/dbraw/zinc/10/37/01/549103701.db2.gz XUQGDCJJIOKLBJ-USXIJHARSA-N 0 3 374.447 2.386 10 0 FEAEHN CN(C)C[C@@H]1CN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CCO1 ZINC000246344136 549110438 /nfs/dbraw/zinc/11/04/38/549110438.db2.gz MCMXARBMLGDSBT-QZTJIDSGSA-N 0 3 367.493 2.418 10 0 FEAEHN Cc1cc(=O)oc2cc(OCCN3C[C@H](N4CCOCC4)[C@@H](C)C3)ccc12 ZINC000246388934 549122187 /nfs/dbraw/zinc/12/21/87/549122187.db2.gz ISVHLRNZFDIMQG-LPHOPBHVSA-N 0 3 372.465 2.133 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000246449112 549134571 /nfs/dbraw/zinc/13/45/71/549134571.db2.gz FAWCFDKBLUHBRW-LSDHHAIUSA-N 0 3 365.909 2.439 10 0 FEAEHN O=C(NCCCN1CCc2ccccc2C1)N1CCN2CCCC[C@H]2C1 ZINC000246457552 549137492 /nfs/dbraw/zinc/13/74/92/549137492.db2.gz PHRHEYXUMXZPJE-FQEVSTJZSA-N 0 3 356.514 2.315 10 0 FEAEHN CCCCCNC(=O)C1CCN(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)CC1 ZINC000246827822 549223233 /nfs/dbraw/zinc/22/32/33/549223233.db2.gz DRNGLYIPQNVWEB-AEFFLSMTSA-N 0 3 366.550 2.443 10 0 FEAEHN C[C@H](OC[C@@H](O)CN1CC[C@@H](N2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000246873706 549232311 /nfs/dbraw/zinc/23/23/11/549232311.db2.gz GFKWUGVNSQLCBV-IPELMVKDSA-N 0 3 368.905 2.185 10 0 FEAEHN C(N1CCO[C@H]2CCCC[C@H]21)C1(CN2CCO[C@@H]3CCCC[C@@H]32)COC1 ZINC000247132697 549288879 /nfs/dbraw/zinc/28/88/79/549288879.db2.gz ZJGGUTZTWWVYJQ-JVSBHGNQSA-N 0 3 364.530 2.290 10 0 FEAEHN Cc1nc(COc2ccccc2C(=O)N2C[C@@H]3CCCN3C[C@H]2C)no1 ZINC000247234731 549303239 /nfs/dbraw/zinc/30/32/39/549303239.db2.gz MVHQCFAVQNDNBJ-HIFRSBDPSA-N 0 3 356.426 2.266 10 0 FEAEHN Cc1ccc(C)c(OC[C@H](O)CN(C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000247575986 549361397 /nfs/dbraw/zinc/36/13/97/549361397.db2.gz HTWNLZDBCDAIMK-RBUKOAKNSA-N 0 3 370.497 2.434 10 0 FEAEHN C[C@H](O)CN1CCN(CCC(=O)Nc2ccc(Cl)cc2F)C[C@H]1C ZINC000247581123 549362872 /nfs/dbraw/zinc/36/28/72/549362872.db2.gz ILKHPKJDVOLKJK-OLZOCXBDSA-N 0 3 357.857 2.195 10 0 FEAEHN COCCN1CCN(C[C@@H](O)COc2cccc3ccccc32)C[C@@H]1C ZINC000247591298 549363789 /nfs/dbraw/zinc/36/37/89/549363789.db2.gz JRFCNSRFRKADPS-PKOBYXMFSA-N 0 3 358.482 2.232 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000248065692 549404880 /nfs/dbraw/zinc/40/48/80/549404880.db2.gz PSPJGZGEHWQWBP-LMMKCTJWSA-N 0 3 361.461 2.288 10 0 FEAEHN Cc1ccc(Cl)c(OC[C@H](O)CN2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000248593798 549464641 /nfs/dbraw/zinc/46/46/41/549464641.db2.gz SDIBVLLLWUAOBL-HZPDHXFCSA-N 0 3 364.877 2.392 10 0 FEAEHN CCO[C@@H]1C[C@@H](N[C@H](C)CS(=O)(=O)c2ccccc2)C12CCOCC2 ZINC000248621133 549469325 /nfs/dbraw/zinc/46/93/25/549469325.db2.gz ALUCXLRCDDOJFA-KBAYOESNSA-N 0 3 367.511 2.413 10 0 FEAEHN C[C@H](C(=O)Nc1nccs1)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248644911 549475271 /nfs/dbraw/zinc/47/52/71/549475271.db2.gz FWTHNLOJGYUWLU-ZBFHGGJFSA-N 0 3 359.499 2.319 10 0 FEAEHN CCCCOC[C@@H](O)CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000248649054 549476682 /nfs/dbraw/zinc/47/66/82/549476682.db2.gz KKVVSVNJESTNGT-SJORKVTESA-N 0 3 350.507 2.362 10 0 FEAEHN CCCNC(=O)[C@@H](C)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000249040112 549541212 /nfs/dbraw/zinc/54/12/12/549541212.db2.gz NBOHVZCHCCRROI-HZPDHXFCSA-N 0 3 355.523 2.029 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000249244946 549571702 /nfs/dbraw/zinc/57/17/02/549571702.db2.gz XDCWFIHFJNNEBU-WBVHZDCISA-N 0 3 364.449 2.382 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000249244963 549571897 /nfs/dbraw/zinc/57/18/97/549571897.db2.gz XDNITCSXBBOJSP-IRXDYDNUSA-N 0 3 367.453 2.100 10 0 FEAEHN Cc1ccccc1CN1CCCN(C(=O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000249717467 549618348 /nfs/dbraw/zinc/61/83/48/549618348.db2.gz JRJWHPNKBJHBEA-OALUTQOASA-N 0 3 359.514 2.139 10 0 FEAEHN OC[C@@H]1CN(Cc2cnc(N3CCOCC3)s2)C[C@H]1c1ccsc1 ZINC000250121077 549638753 /nfs/dbraw/zinc/63/87/53/549638753.db2.gz VIKCONSVFMFTJZ-HOCLYGCPSA-N 0 3 365.524 2.249 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC000255038527 549702961 /nfs/dbraw/zinc/70/29/61/549702961.db2.gz FQJCUQAMJKIRFG-BRWVUGGUSA-N 0 3 356.555 2.150 10 0 FEAEHN Cc1nn(C)cc1CN1CCC2(CC1)C[C@@](O)(c1ccccn1)CCO2 ZINC000257174927 549711661 /nfs/dbraw/zinc/71/16/61/549711661.db2.gz MBSSXPOWFMNPAO-HXUWFJFHSA-N 0 3 356.470 2.156 10 0 FEAEHN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)[C@@H](N)C3CCOCC3)cc2)n1 ZINC000261713917 549745673 /nfs/dbraw/zinc/74/56/73/549745673.db2.gz IXGGNXOOOYFWIS-BEFAXECRSA-N 0 3 356.470 2.420 10 0 FEAEHN CCCOc1cn(-c2ccccc2)nc1-c1nc([C@@H]2CNCCN2C)no1 ZINC000263190663 549884590 /nfs/dbraw/zinc/88/45/90/549884590.db2.gz HVFRSRNUGGCHNO-HNNXBMFYSA-N 0 3 368.441 2.287 10 0 FEAEHN CCOC(=O)[C@@H]1CC[C@H](NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C[C@@H]1C ZINC000263510767 549906458 /nfs/dbraw/zinc/90/64/58/549906458.db2.gz NICMEZMPBGIFFF-OPPNBMJSSA-N 0 3 366.502 2.272 10 0 FEAEHN CCOC(=O)[C@@H]1CC[C@H](NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)C[C@@H]1C ZINC000263510767 549906460 /nfs/dbraw/zinc/90/64/60/549906460.db2.gz NICMEZMPBGIFFF-OPPNBMJSSA-N 0 3 366.502 2.272 10 0 FEAEHN CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC(N(CC(=O)[O-])CC3CC3)C2)C[C@@H]1C ZINC000263510767 549906462 /nfs/dbraw/zinc/90/64/62/549906462.db2.gz NICMEZMPBGIFFF-OPPNBMJSSA-N 0 3 366.502 2.272 10 0 FEAEHN C[C@@H](NC[C@@H](C)N(C)C(=O)OC(C)(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000283464558 551370583 /nfs/dbraw/zinc/37/05/83/551370583.db2.gz VUCMAPJIPZURBR-CHWSQXEVSA-N 0 3 371.503 2.240 10 0 FEAEHN CCc1cc(=O)n2nc(Nc3cnn(CCN4CCCCC4)c3)sc2n1 ZINC000301950573 553693879 /nfs/dbraw/zinc/69/38/79/553693879.db2.gz DXXXACYWFJMNRS-UHFFFAOYSA-N 0 3 373.486 2.139 10 0 FEAEHN C[C@H](C(=O)N1CCCc2ccccc21)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000374070902 557817937 /nfs/dbraw/zinc/81/79/37/557817937.db2.gz WJRXFWUJGGOWNI-QOJCHSLYSA-N 0 3 358.482 2.216 10 0 FEAEHN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374076005 557819288 /nfs/dbraw/zinc/81/92/88/557819288.db2.gz YVDNRUOLZLJMHD-LJIZCISZSA-N 0 3 353.507 2.261 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000171164896 672330014 /nfs/dbraw/zinc/33/00/14/672330014.db2.gz BWJVCNWGDDPYOO-CABCVRRESA-N 0 3 354.495 2.027 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000171683139 672334585 /nfs/dbraw/zinc/33/45/85/672334585.db2.gz DHMOTSQMYDIXOM-GJZGRUSLSA-N 0 3 354.495 2.169 10 0 FEAEHN CC(C)(C)OC(=O)NC[C@@H]1CCCN1C[C@H](O)COCc1ccco1 ZINC000174239324 672359087 /nfs/dbraw/zinc/35/90/87/672359087.db2.gz MMCSODFBOMGOBD-GJZGRUSLSA-N 0 3 354.447 2.146 10 0 FEAEHN CCc1nsc(N2CCN(CCN(C)Cc3ccc(F)cc3)CC2)n1 ZINC000181725041 672429974 /nfs/dbraw/zinc/42/99/74/672429974.db2.gz JOZOPPYSJRLZJI-UHFFFAOYSA-N 0 3 363.506 2.494 10 0 FEAEHN CCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000182548227 672447872 /nfs/dbraw/zinc/44/78/72/672447872.db2.gz KSPYMSFVUWMVME-DOTOQJQBSA-N 0 3 363.527 2.325 10 0 FEAEHN COCCN1CCN(C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000246043894 672828692 /nfs/dbraw/zinc/82/86/92/672828692.db2.gz SMZIMRYEPXFWEL-DLBZAZTESA-N 0 3 355.523 2.286 10 0 FEAEHN CC[C@H]1CN(Cn2c(=O)sc3c2CC[C@H](C)C3)CCN1CCOC ZINC000247101030 672846278 /nfs/dbraw/zinc/84/62/78/672846278.db2.gz MOUFMJDBSTUIMK-GJZGRUSLSA-N 0 3 353.532 2.035 10 0 FEAEHN COCCN1CCN(C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000248669945 672860080 /nfs/dbraw/zinc/86/00/80/672860080.db2.gz RWGMHHNBZGLAON-VQIMIIECSA-N 0 3 355.523 2.286 10 0 FEAEHN COc1ccc(F)cc1CNC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702766448 673058626 /nfs/dbraw/zinc/05/86/26/673058626.db2.gz VUGBVBQDCYJPPF-ZFWWWQNUSA-N 0 3 354.422 2.152 10 0 FEAEHN N[C@H]1CCCCN(Cc2nc(Cc3cccc(Cl)c3F)no2)C1=O ZINC000888078408 688545179 /nfs/dbraw/zinc/54/51/79/688545179.db2.gz ORRXUZKGXXWITA-LBPRGKRZSA-N 0 3 352.797 2.293 10 0 FEAEHN CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cc(OC)c1[O-] ZINC000026384761 539785544 /nfs/dbraw/zinc/78/55/44/539785544.db2.gz UDVCHWOEHQSXMW-NSHDSACASA-N 0 3 357.248 2.377 10 0 FEAEHN CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cc(OC)c1[O-] ZINC000026384761 539785549 /nfs/dbraw/zinc/78/55/49/539785549.db2.gz UDVCHWOEHQSXMW-NSHDSACASA-N 0 3 357.248 2.377 10 0 FEAEHN CN(C)C[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1F)c1ccccc1 ZINC000041837863 540035338 /nfs/dbraw/zinc/03/53/38/540035338.db2.gz XQGZOAAYJWSRDC-QGZVFWFLSA-N 0 3 361.392 2.114 10 0 FEAEHN COc1ccc([C@@H](NC(=O)NC[C@@H](O)CN2CCCCC2)C2CC2)cc1 ZINC000049175794 540384124 /nfs/dbraw/zinc/38/41/24/540384124.db2.gz RPXJASIOOGZHBT-MJGOQNOKSA-N 0 3 361.486 2.292 10 0 FEAEHN CN(C)C[C@H](NC(=O)NCCNC(=O)c1ccccc1F)c1ccccc1 ZINC000052519294 540469581 /nfs/dbraw/zinc/46/95/81/540469581.db2.gz FTZWFYBHLMYAQS-SFHVURJKSA-N 0 3 372.444 2.158 10 0 FEAEHN CCOc1ccccc1C(=O)NCC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000052554946 540472938 /nfs/dbraw/zinc/47/29/38/540472938.db2.gz YQWJCTNFUMLVLH-SFHVURJKSA-N 0 3 369.465 2.234 10 0 FEAEHN CCC(CC)C(=O)N1CCC(NC(=O)N[C@@H]2CCCN(CC)C2)CC1 ZINC000052556089 540473098 /nfs/dbraw/zinc/47/30/98/540473098.db2.gz JJSBKLIBISYVRL-QGZVFWFLSA-N 0 3 352.523 2.197 10 0 FEAEHN C[C@@H](CN1CCOCC1)NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000067734960 541506255 /nfs/dbraw/zinc/50/62/55/541506255.db2.gz GTNSCJFKHBHHKA-ICSRJNTNSA-N 0 3 374.529 2.061 10 0 FEAEHN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCCN(C)Cc1ccccc1 ZINC000073820947 542004036 /nfs/dbraw/zinc/00/40/36/542004036.db2.gz YQAGTIMJWJJXEM-SFHVURJKSA-N 0 3 360.502 2.161 10 0 FEAEHN CCN1CCC[C@H]1CNC(=O)Cc1ccc2nc(NC(C)=O)sc2c1 ZINC000015861864 211147515 /nfs/dbraw/zinc/14/75/15/211147515.db2.gz TXCPPFLDRLMKRV-AWEZNQCLSA-N 0 3 360.483 2.398 10 0 FEAEHN CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](N(C)CCOC)C2 ZINC000014532169 211094593 /nfs/dbraw/zinc/09/45/93/211094593.db2.gz JBBSWOOJWPWSPF-MRXNPFEDSA-N 0 3 362.518 2.355 10 0 FEAEHN CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1ccsc1)C2 ZINC000014745484 211100723 /nfs/dbraw/zinc/10/07/23/211100723.db2.gz WASJOKCQKJXJES-OAHLLOKOSA-N 0 3 374.510 2.084 10 0 FEAEHN CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](N1CCCC1)C2 ZINC000014746760 211099944 /nfs/dbraw/zinc/09/99/44/211099944.db2.gz CRRNWELUBVUGQU-OAHLLOKOSA-N 0 3 362.543 2.435 10 0 FEAEHN c1cnc(N2CCC(N3CCN(C4Cc5ccccc5C4)CC3)CC2)nc1 ZINC000095501703 132212176 /nfs/dbraw/zinc/21/21/76/132212176.db2.gz AZEVTWYCIQUALB-UHFFFAOYSA-N 0 3 363.509 2.230 10 0 FEAEHN O=C1C(=O)N(Cc2cc(F)ccc2F)c2cccc(N3CCNCC3)c21 ZINC000034884398 132378012 /nfs/dbraw/zinc/37/80/12/132378012.db2.gz SJQGWCUNVQCREL-UHFFFAOYSA-N 0 3 357.360 2.104 10 0 FEAEHN CC(C)C(=O)Nc1cnc(N2CCNCC2)c(C(=O)N2CCCCCC2)c1 ZINC000015828324 132879880 /nfs/dbraw/zinc/87/98/80/132879880.db2.gz RPKYFVKWCNTPFJ-UHFFFAOYSA-N 0 3 373.501 2.102 10 0 FEAEHN C[C@H]1Oc2c(cccc2C(=O)N[C@@H](CN(C)C)c2ccccc2)NC1=O ZINC000104216802 543126010 /nfs/dbraw/zinc/12/60/10/543126010.db2.gz FWSSLRYWKVSMAG-DYVFJYSZSA-N 0 3 353.422 2.439 10 0 FEAEHN C[C@@H](CNC(=O)N1CCN2CCCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000105149623 543161731 /nfs/dbraw/zinc/16/17/31/543161731.db2.gz FCZCDNIKXZFHAK-FXAWDEMLSA-N 0 3 356.514 2.313 10 0 FEAEHN Cc1ccc(N2CCCN(CCC(=O)Nc3ccc(F)cc3)CC2)nn1 ZINC000106072100 543189997 /nfs/dbraw/zinc/18/99/97/543189997.db2.gz SCXIVIVZNCEIBZ-UHFFFAOYSA-N 0 3 357.433 2.465 10 0 FEAEHN CCOCCN1CCN(CCC(=O)NCc2ccccc2Cl)C[C@@H]1C ZINC000106111452 543200418 /nfs/dbraw/zinc/20/04/18/543200418.db2.gz KQBYVQJFWJPBAQ-INIZCTEOSA-N 0 3 367.921 2.389 10 0 FEAEHN O=C(CCN1CCC(Nc2cccnn2)CC1)N1CCc2ccccc21 ZINC000106081260 543192635 /nfs/dbraw/zinc/19/26/35/543192635.db2.gz WMYURTDLXDXLFS-UHFFFAOYSA-N 0 3 351.454 2.332 10 0 FEAEHN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCO[C@H](CN(C)C)C1 ZINC000107305482 543265414 /nfs/dbraw/zinc/26/54/14/543265414.db2.gz BGHCJTBKSPQNAK-DOTOQJQBSA-N 0 3 359.470 2.215 10 0 FEAEHN CCN1CCCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000111436106 543401591 /nfs/dbraw/zinc/40/15/91/543401591.db2.gz DIYPJBCCGHYJCA-HOCLYGCPSA-N 0 3 367.515 2.325 10 0 FEAEHN Cc1cnn(CCN[C@@H](C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1 ZINC000112552253 543451822 /nfs/dbraw/zinc/45/18/22/543451822.db2.gz ZLMMOQGUMMWDDL-HNNXBMFYSA-N 0 3 358.442 2.374 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@H](C)C(=O)Nc1ccc3c(c1)OCO3)CC2 ZINC000112551657 543452189 /nfs/dbraw/zinc/45/21/89/543452189.db2.gz IONYSLNPDGXYNR-OCCSQVGLSA-N 0 3 371.441 2.062 10 0 FEAEHN COc1ccc(-c2noc(CN3C[C@H]4CCCN4C[C@H]3C)n2)c(OC)c1 ZINC000113518298 543490160 /nfs/dbraw/zinc/49/01/60/543490160.db2.gz FCDOCMSRLZKNRD-ZIAGYGMSSA-N 0 3 358.442 2.422 10 0 FEAEHN CCN1CCCC[C@@H]1C(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000113921730 543498433 /nfs/dbraw/zinc/49/84/33/543498433.db2.gz CEMXTYPZXXQABG-GOSISDBHSA-N 0 3 361.534 2.157 10 0 FEAEHN Cc1cnn(CCN[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)c1 ZINC000113932606 543499462 /nfs/dbraw/zinc/49/94/62/543499462.db2.gz GVVYXARTFUATKE-OAHLLOKOSA-N 0 3 368.359 2.485 10 0 FEAEHN C[C@@H](CNC(=O)N(C)C1CCN(Cc2ccccc2)CC1)N1CCOCC1 ZINC000113590892 543491652 /nfs/dbraw/zinc/49/16/52/543491652.db2.gz CORGODLRKJFFGT-SFHVURJKSA-N 0 3 374.529 2.013 10 0 FEAEHN Cc1noc(C)c1[C@H](C)C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000114415476 543514437 /nfs/dbraw/zinc/51/44/37/543514437.db2.gz SCVFTEJRRNZNFC-AWEZNQCLSA-N 0 3 371.485 2.200 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)nc1 ZINC000114414193 543514715 /nfs/dbraw/zinc/51/47/15/543514715.db2.gz KHIDILSRXHPRCV-UHFFFAOYSA-N 0 3 360.408 2.384 10 0 FEAEHN C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114695109 543530356 /nfs/dbraw/zinc/53/03/56/543530356.db2.gz FBVDBOJCLOCEDD-WBVHZDCISA-N 0 3 355.438 2.179 10 0 FEAEHN Cc1cc(Cl)ccc1OCCCNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117038888 543621940 /nfs/dbraw/zinc/62/19/40/543621940.db2.gz WBVLVSBRACIAQN-MRXNPFEDSA-N 0 3 369.893 2.389 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NCC2(c3cccc(Cl)c3)CC2)CCO1 ZINC000121073903 543688603 /nfs/dbraw/zinc/68/86/03/543688603.db2.gz JCHVYIXXOOYYMN-INIZCTEOSA-N 0 3 351.878 2.344 10 0 FEAEHN C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Br)C[C@@H]1N(C)C ZINC000124010603 543795966 /nfs/dbraw/zinc/79/59/66/543795966.db2.gz RUTCUUWJSFSIGU-SKDRFNHKSA-N 0 3 365.268 2.159 10 0 FEAEHN CN(C(=O)/C=C/c1ccc(O)cc1)C1CCN(CCn2cccn2)CC1 ZINC000125094446 543860683 /nfs/dbraw/zinc/86/06/83/543860683.db2.gz LBCDFRQAQUXNKV-VMPITWQZSA-N 0 3 354.454 2.225 10 0 FEAEHN COc1ccc(CN2CCO[C@@H](CN(C)C)C2)cc1OCc1cccnc1 ZINC000128148508 544035803 /nfs/dbraw/zinc/03/58/03/544035803.db2.gz DQQDBPQFNURVBI-IBGZPJMESA-N 0 3 371.481 2.432 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)c2cncc(I)c2)[C@@H](C)C1 ZINC000128244267 544040977 /nfs/dbraw/zinc/04/09/77/544040977.db2.gz CBEIWNBGVIYSML-GWCFXTLKSA-N 0 3 373.238 2.145 10 0 FEAEHN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CC[C@H](N(C)C)C1)CC2 ZINC000130456820 544151617 /nfs/dbraw/zinc/15/16/17/544151617.db2.gz OGFPMCRGZNNFBR-RYUDHWBXSA-N 0 3 356.392 2.071 10 0 FEAEHN CC(=O)N1CCC2(CC1)c1ccccc1N(CC1CCN(C)CC1)C2=O ZINC000096241412 222096907 /nfs/dbraw/zinc/09/69/07/222096907.db2.gz OALJBNBJZVDXRK-UHFFFAOYSA-N 0 3 355.482 2.255 10 0 FEAEHN CC[C@@H](C(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1)N(C)C ZINC000131759325 544205227 /nfs/dbraw/zinc/20/52/27/544205227.db2.gz JTEDWXIKRMATJH-PMACEKPBSA-N 0 3 361.530 2.231 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000132530209 544234123 /nfs/dbraw/zinc/23/41/23/544234123.db2.gz BSRNURPELBTSEQ-DLBZAZTESA-N 0 3 357.433 2.164 10 0 FEAEHN Cc1nc(COc2cccc(C(=O)N3C[C@@H]4CCCN4C[C@@H]3C)c2)no1 ZINC000134727666 544319949 /nfs/dbraw/zinc/31/99/49/544319949.db2.gz FJJHUVKLHGVRBJ-BBRMVZONSA-N 0 3 356.426 2.266 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2cc(F)c(F)cc2Cl)[C@@H](C)C1 ZINC000150772036 544469237 /nfs/dbraw/zinc/46/92/37/544469237.db2.gz JJCSYXLCIIPMJS-XPTSAGLGSA-N 0 3 359.804 2.402 10 0 FEAEHN CCc1nc2cc(NC(=O)C(=O)N[C@@H]3CN(C(C)C)C[C@@H]3C)ccc2o1 ZINC000150772782 544469698 /nfs/dbraw/zinc/46/96/98/544469698.db2.gz VTPLMBZIRPEMLX-SWLSCSKDSA-N 0 3 358.442 2.174 10 0 FEAEHN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c(F)c1 ZINC000150782350 544470670 /nfs/dbraw/zinc/47/06/70/544470670.db2.gz SJHWUSKOIVHSAS-GUYCJALGSA-N 0 3 365.449 2.396 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2)[C@@H](C)C1 ZINC000150784797 544470902 /nfs/dbraw/zinc/47/09/02/544470902.db2.gz MRNIEEYMQZLOIZ-FZMZJTMJSA-N 0 3 368.275 2.233 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000151833394 544586107 /nfs/dbraw/zinc/58/61/07/544586107.db2.gz QFTRWQIUSWHFFM-MAUKXSAKSA-N 0 3 356.474 2.454 10 0 FEAEHN COC(=O)c1cccc([C@@H](NC[C@H]2CCCN2CC(C)C)C(=O)OC)c1 ZINC000152014539 544606253 /nfs/dbraw/zinc/60/62/53/544606253.db2.gz PPVXYDVZGCTYSK-QZTJIDSGSA-N 0 3 362.470 2.397 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000247521724 549350352 /nfs/dbraw/zinc/35/03/52/549350352.db2.gz WTXPZWCKDDFMAX-BIENJYKASA-N 0 3 357.479 2.311 10 0 FEAEHN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000153157045 544740347 /nfs/dbraw/zinc/74/03/47/544740347.db2.gz ZZQBTUBQZKGQNU-INIZCTEOSA-N 0 3 374.489 2.350 10 0 FEAEHN CCC[C@H](C(=O)N[C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1)N(C)C ZINC000153561938 544790609 /nfs/dbraw/zinc/79/06/09/544790609.db2.gz ZBAFSCKPMNLMEU-QFBILLFUSA-N 0 3 363.502 2.125 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)COCc2ccccc2Cl)CCN1CCOC ZINC000155095074 544988289 /nfs/dbraw/zinc/98/82/89/544988289.db2.gz GCWQBDDMUCFGEA-MSOLQXFVSA-N 0 3 370.921 2.260 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)COc2cccc3ccccc32)CCN1C[C@H](C)O ZINC000247546403 549353946 /nfs/dbraw/zinc/35/39/46/549353946.db2.gz DMQSWKDYLWVORZ-SXLOBPIMSA-N 0 3 372.509 2.357 10 0 FEAEHN CN(C)C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CCO1 ZINC000181646238 327740202 /nfs/dbraw/zinc/74/02/02/327740202.db2.gz FDMNHDUPOZWEKI-CYBMUJFWSA-N 0 3 367.298 2.086 10 0 FEAEHN CCN1CCN(c2cccc(NC(=O)[C@H](NC(=O)OC)C(C)C)c2)CC1 ZINC000184286508 327860157 /nfs/dbraw/zinc/86/01/57/327860157.db2.gz WUYDFQZXDARQJN-QGZVFWFLSA-N 0 3 362.474 2.148 10 0 FEAEHN CCCCOc1cc(OC)ccc1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000185952268 327940549 /nfs/dbraw/zinc/94/05/49/327940549.db2.gz SHLPVCATKKOCCB-MRXNPFEDSA-N 0 3 350.459 2.277 10 0 FEAEHN COCCOc1cc(OC)ccc1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000188568660 328096002 /nfs/dbraw/zinc/09/60/02/328096002.db2.gz CSZFLUGGEZSAFU-YOEHRIQHSA-N 0 3 350.459 2.179 10 0 FEAEHN C[C@H]1[NH2+]CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000189314834 328140729 /nfs/dbraw/zinc/14/07/29/328140729.db2.gz JNAVNABEYBXWFS-LDYMZIIASA-N 0 3 351.241 2.007 10 0 FEAEHN COc1ccc(O)cc1C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000189347201 328142279 /nfs/dbraw/zinc/14/22/79/328142279.db2.gz HFRCXAPLYABFCG-INIZCTEOSA-N 0 3 355.438 2.390 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000190286556 328198572 /nfs/dbraw/zinc/19/85/72/328198572.db2.gz XEPGVIHXBCLDBN-BBWFWOEESA-N 0 3 353.532 2.442 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000190358931 328202648 /nfs/dbraw/zinc/20/26/48/328202648.db2.gz IQQCMPWRDJMFFO-ZTFGCOKTSA-N 0 3 359.470 2.418 10 0 FEAEHN Cc1nc2c(cnn2C)c(N2CC[C@@H](CN(C)Cc3cccnc3)C2)n1 ZINC000190447089 328208269 /nfs/dbraw/zinc/20/82/69/328208269.db2.gz CJJWXDNMSMEXMX-INIZCTEOSA-N 0 3 351.458 2.025 10 0 FEAEHN CCN(CC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1)C1CC1 ZINC000190557417 328216167 /nfs/dbraw/zinc/21/61/67/328216167.db2.gz PZGWTIMTTHMMMU-HNNXBMFYSA-N 0 3 350.532 2.216 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2ccc3nncn3c2)C1 ZINC000190530702 328214307 /nfs/dbraw/zinc/21/43/07/328214307.db2.gz ZGQMOSPXRGKXLL-CQSZACIVSA-N 0 3 370.482 2.088 10 0 FEAEHN COC(=O)c1coc(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190583623 328217669 /nfs/dbraw/zinc/21/76/69/328217669.db2.gz HCUIXZHLHYSYPI-OAHLLOKOSA-N 0 3 357.410 2.055 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)Cc2cn3ccccc3n2)C1 ZINC000190601855 328218965 /nfs/dbraw/zinc/21/89/65/328218965.db2.gz SVMLPCDRXFRAGX-SFHVURJKSA-N 0 3 363.465 2.252 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NCc2cccc(O)c2)C1 ZINC000190699248 328225801 /nfs/dbraw/zinc/22/58/01/328225801.db2.gz WCSOHMXBBJFIDE-GOSISDBHSA-N 0 3 354.454 2.451 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@H]1CCN(c3c(C)cc(C)cc3C)C1=O)CC2 ZINC000190966643 328242663 /nfs/dbraw/zinc/24/26/63/328242663.db2.gz UOJUMBAPHSDHEU-SJORKVTESA-N 0 3 367.497 2.476 10 0 FEAEHN CCN(C)c1ccc(CNC[C@H]2CCCN2c2cc(NC)ncn2)cn1 ZINC000190971544 328242972 /nfs/dbraw/zinc/24/29/72/328242972.db2.gz RXHGCTOSJPPYBK-MRXNPFEDSA-N 0 3 355.490 2.128 10 0 FEAEHN C[C@H](c1ccccc1)N1CCC(NC(=O)N2CCCNC(=O)[C@H]2C)CC1 ZINC000191401559 328264093 /nfs/dbraw/zinc/26/40/93/328264093.db2.gz GZYPSGZHCPQVTB-HZPDHXFCSA-N 0 3 358.486 2.132 10 0 FEAEHN COc1c(CNC[C@@H]2CN(Cc3ccccc3)CCCO2)c(C)nn1C ZINC000192356997 328314900 /nfs/dbraw/zinc/31/49/00/328314900.db2.gz NLPJLGPLYLEXIE-GOSISDBHSA-N 0 3 358.486 2.118 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000192936501 328347683 /nfs/dbraw/zinc/34/76/83/328347683.db2.gz PBNDDKSDVVPOAQ-INIZCTEOSA-N 0 3 363.458 2.363 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2nc3c(s2)CCCCC3)C1 ZINC000193146288 328359487 /nfs/dbraw/zinc/35/94/87/328359487.db2.gz LGIGYHATIAGXLT-OCCSQVGLSA-N 0 3 364.515 2.195 10 0 FEAEHN CCn1ncnc1CN(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000193336912 328369492 /nfs/dbraw/zinc/36/94/92/328369492.db2.gz COOIRNJRNBXVAR-LJQANCHMSA-N 0 3 357.502 2.175 10 0 FEAEHN Cc1ccc(C(=O)N2CCN(C(=O)N[C@H](CC(C)C)CN(C)C)CC2)cc1 ZINC000079495825 325093107 /nfs/dbraw/zinc/09/31/07/325093107.db2.gz ZSPNXZWECLZPIC-LJQANCHMSA-N 0 3 374.529 2.439 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000079495326 325093461 /nfs/dbraw/zinc/09/34/61/325093461.db2.gz OBQUXCMSFJUIHG-GOSISDBHSA-N 0 3 360.502 2.130 10 0 FEAEHN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000081163581 325161584 /nfs/dbraw/zinc/16/15/84/325161584.db2.gz XYMNHMNSQVUYNG-GOSISDBHSA-N 0 3 368.485 2.385 10 0 FEAEHN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000083740205 325224221 /nfs/dbraw/zinc/22/42/21/325224221.db2.gz YSEAOELKDXAKLR-QGZVFWFLSA-N 0 3 360.506 2.329 10 0 FEAEHN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000089479500 325318872 /nfs/dbraw/zinc/31/88/72/325318872.db2.gz OOXQYFXWVVOFIA-QGZVFWFLSA-N 0 3 369.473 2.032 10 0 FEAEHN CN(C(=O)c1cc(-c2ccco2)on1)C1CCN(CCn2cccn2)CC1 ZINC000109293124 325663906 /nfs/dbraw/zinc/66/39/06/325663906.db2.gz AUQRYQHSWJBSLC-UHFFFAOYSA-N 0 3 369.425 2.368 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2cn(C)nc2-c2ccccc2Cl)CCO1 ZINC000116783231 326035278 /nfs/dbraw/zinc/03/52/78/326035278.db2.gz AJSSRZRVSACFTD-ZDUSSCGKSA-N 0 3 362.861 2.143 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2Br)CCO1 ZINC000116793440 326035973 /nfs/dbraw/zinc/03/59/73/326035973.db2.gz GMTITOHXAYINNJ-LLVKDONJSA-N 0 3 366.259 2.333 10 0 FEAEHN CC(C)CCOc1ccc(S(=O)(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000116900232 326041033 /nfs/dbraw/zinc/04/10/33/326041033.db2.gz HBYUJUIJMXJPBH-QGZVFWFLSA-N 0 3 370.515 2.063 10 0 FEAEHN CCN1CCC[C@H](NC(=O)C[C@H](NC(C)=O)c2ccc(F)cc2F)C1 ZINC000119168571 326133693 /nfs/dbraw/zinc/13/36/93/326133693.db2.gz YQMPJNXPZCKZOO-YOEHRIQHSA-N 0 3 353.413 2.133 10 0 FEAEHN O=C(c1cccc(C(=O)N2CCC[C@H](N3CCCC3)C2)n1)N1CCCC1 ZINC000119492740 326169067 /nfs/dbraw/zinc/16/90/67/326169067.db2.gz DWDOTIFDZPTVED-INIZCTEOSA-N 0 3 356.470 2.018 10 0 FEAEHN CCS[C@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)C(C)C ZINC000119658468 326185105 /nfs/dbraw/zinc/18/51/05/326185105.db2.gz GRQIRIOUEJPZAR-ROUUACIJSA-N 0 3 350.528 2.300 10 0 FEAEHN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000119990265 326218880 /nfs/dbraw/zinc/21/88/80/326218880.db2.gz OQUVTNNWQVTDSV-DLBZAZTESA-N 0 3 370.501 2.148 10 0 FEAEHN CC[C@H]1CN(Cc2cc(O)ccc2Br)CCN1C[C@@H](C)O ZINC000120747085 326284577 /nfs/dbraw/zinc/28/45/77/326284577.db2.gz VJYFKRBIJOVSBL-OCCSQVGLSA-N 0 3 357.292 2.432 10 0 FEAEHN CCOCCN1CCN(Cc2ccc(O[C@@H](C)C(=O)OC)cc2)C[C@@H]1C ZINC000120901977 326297488 /nfs/dbraw/zinc/29/74/88/326297488.db2.gz CRJNWOAFZBXKKU-IRXDYDNUSA-N 0 3 364.486 2.170 10 0 FEAEHN Cc1ccc(-c2n[nH]cc2CNC[C@H](O)CN2CCc3ccccc3C2)o1 ZINC000120946623 326300967 /nfs/dbraw/zinc/30/09/67/326300967.db2.gz UIEGQKIBOCDHGW-IBGZPJMESA-N 0 3 366.465 2.487 10 0 FEAEHN CCOC(=O)c1ccc(CN(C)C2CCN(CCn3cccn3)CC2)o1 ZINC000121234450 326323820 /nfs/dbraw/zinc/32/38/20/326323820.db2.gz DXQUFXGRJYHENE-UHFFFAOYSA-N 0 3 360.458 2.249 10 0 FEAEHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccc1)c1nnc2n1CCCC2 ZINC000121345161 326331231 /nfs/dbraw/zinc/33/12/31/326331231.db2.gz AHEGMCDFHGEQMF-MRXNPFEDSA-N 0 3 370.501 2.449 10 0 FEAEHN Cc1nccn1-c1ccc([C@H](C)NC(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000123307839 326427198 /nfs/dbraw/zinc/42/71/98/326427198.db2.gz FVGKEHHTONUZIG-HNAYVOBHSA-N 0 3 371.485 2.214 10 0 FEAEHN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCO[C@H](CN(C)C)C1 ZINC000155361797 326786077 /nfs/dbraw/zinc/78/60/77/326786077.db2.gz CPFPRKXNQZPRDX-SWLSCSKDSA-N 0 3 370.291 2.039 10 0 FEAEHN COc1cccc(Cn2nccc2NC(=O)N2CC[C@H](N(C)C)C2)c1OC ZINC000158697818 326904571 /nfs/dbraw/zinc/90/45/71/326904571.db2.gz CRXBIALATAIHQR-HNNXBMFYSA-N 0 3 373.457 2.116 10 0 FEAEHN C[C@@H]1CN(Cc2ccc(CNC(=O)N3CC[C@H](N(C)C)C3)cc2)C[C@H](C)O1 ZINC000170828759 327100955 /nfs/dbraw/zinc/10/09/55/327100955.db2.gz CEXMRVQVWBLRMD-QKLQHJQFSA-N 0 3 374.529 2.141 10 0 FEAEHN COc1ccc(Br)cc1CNC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170835447 327101416 /nfs/dbraw/zinc/10/14/16/327101416.db2.gz LBFOGZSVOROFMD-CYBMUJFWSA-N 0 3 356.264 2.303 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2nc(-c3ccccc3F)cs2)C1 ZINC000170843646 327102226 /nfs/dbraw/zinc/10/22/26/327102226.db2.gz WPLGTNYFBZWBFR-LLVKDONJSA-N 0 3 362.430 2.050 10 0 FEAEHN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CC[C@@H](N(C)C)C3)C2)c1 ZINC000170865263 327103815 /nfs/dbraw/zinc/10/38/15/327103815.db2.gz MQLKYGZQPDSLPB-PKOBYXMFSA-N 0 3 357.498 2.318 10 0 FEAEHN O=C(c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)N1CCN2CCC[C@@H]2C1 ZINC000171279090 327129521 /nfs/dbraw/zinc/12/95/21/327129521.db2.gz GYTWHHLNGJGOCT-MRXNPFEDSA-N 0 3 354.454 2.365 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)C1 ZINC000171508314 327143087 /nfs/dbraw/zinc/14/30/87/327143087.db2.gz NLBKOKYZCVNXOX-CABCVRRESA-N 0 3 367.902 2.018 10 0 FEAEHN CCCn1cc(CN2CCCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)cn1 ZINC000171818373 327163454 /nfs/dbraw/zinc/16/34/54/327163454.db2.gz PWOPKOKZYACLPK-UHFFFAOYSA-N 0 3 356.474 2.242 10 0 FEAEHN C[C@H](c1cccc(O)c1)N(C)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000171939341 327171532 /nfs/dbraw/zinc/17/15/32/327171532.db2.gz IRVAUAXLQQRYMC-CJNGLKHVSA-N 0 3 354.406 2.042 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NCCCSc2ccc(F)cc2)CCO1 ZINC000172114893 327181484 /nfs/dbraw/zinc/18/14/84/327181484.db2.gz LOJUYNXZTBNFLX-HNNXBMFYSA-N 0 3 355.479 2.280 10 0 FEAEHN C[C@H](C(=O)N[C@@H](CN(C)C)c1ccccc1)n1nnc(-c2ccccc2)n1 ZINC000173142953 327237539 /nfs/dbraw/zinc/23/75/39/327237539.db2.gz FAWAGYUASXBOLW-QAPCUYQASA-N 0 3 364.453 2.320 10 0 FEAEHN CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](C(C)C)N2CCCCC2)ncn1 ZINC000173436719 327256865 /nfs/dbraw/zinc/25/68/65/327256865.db2.gz SRJKBGBOONKAPJ-VQIMIIECSA-N 0 3 374.533 2.114 10 0 FEAEHN C[C@@H]1CC[C@@H](CCC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)O1 ZINC000173577294 327268112 /nfs/dbraw/zinc/26/81/12/327268112.db2.gz OWDTWJVIDCFQQX-AEFFLSMTSA-N 0 3 360.502 2.140 10 0 FEAEHN C[C@H](NC(=O)NC[C@@H](O)CN1CCCCC1)c1cccc(-n2cccn2)c1 ZINC000173697553 327277766 /nfs/dbraw/zinc/27/77/66/327277766.db2.gz PJAMITHURIBWHT-QFBILLFUSA-N 0 3 371.485 2.079 10 0 FEAEHN Cc1cnn(CCNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000174270083 327316526 /nfs/dbraw/zinc/31/65/26/327316526.db2.gz WJYQCYMXHMWFKC-LJQANCHMSA-N 0 3 355.486 2.498 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)N(C)CCOc1ccccc1F ZINC000175338008 327387853 /nfs/dbraw/zinc/38/78/53/327387853.db2.gz LOUMCIHGSXISEU-MRXNPFEDSA-N 0 3 351.466 2.079 10 0 FEAEHN CC[C@@H](CNC(=O)NC[C@@H](O)CN1CCCCC1)Oc1cccc(C)c1 ZINC000176835451 327478730 /nfs/dbraw/zinc/47/87/30/327478730.db2.gz HGFVWXCHUUIHAM-MSOLQXFVSA-N 0 3 363.502 2.298 10 0 FEAEHN Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000176890653 327481914 /nfs/dbraw/zinc/48/19/14/327481914.db2.gz AATZWOOPJSFJOI-MRXNPFEDSA-N 0 3 353.426 2.416 10 0 FEAEHN NC1(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)CCOCC1 ZINC000261928414 328830147 /nfs/dbraw/zinc/83/01/47/328830147.db2.gz VXGACDIXIBZKOG-UHFFFAOYSA-N 0 3 371.412 2.202 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)n1 ZINC000263179879 328922802 /nfs/dbraw/zinc/92/28/02/328922802.db2.gz GQAXTDIVBVGILZ-MRXNPFEDSA-N 0 3 368.441 2.071 10 0 FEAEHN Cc1c(-c2nc([C@H]3CNCCN3C)no2)cnn1-c1ccc(Cl)cc1 ZINC000263207434 328925340 /nfs/dbraw/zinc/92/53/40/328925340.db2.gz JYGVROVYSNGTBZ-OAHLLOKOSA-N 0 3 358.833 2.460 10 0 FEAEHN COc1cc(/C=C/c2nc([C@@H]3CNCCN3C)no2)ccc1OC(F)F ZINC000263228003 328926871 /nfs/dbraw/zinc/92/68/71/328926871.db2.gz NADXRMSRGALJFK-FUEXJSSKSA-N 0 3 366.368 2.426 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2ccc(CNC(=O)C3CCCC3)cc2)n1 ZINC000263233559 328927229 /nfs/dbraw/zinc/92/72/29/328927229.db2.gz NSUXHIZEOCUMCC-KRWDZBQOSA-N 0 3 369.469 2.119 10 0 FEAEHN CN1CCNC[C@H]1c1noc(CCC(=O)c2ccc3c(c2)CCCC3)n1 ZINC000263319119 328932673 /nfs/dbraw/zinc/93/26/73/328932673.db2.gz ZYCHLUQHUALEJD-KRWDZBQOSA-N 0 3 354.454 2.340 10 0 FEAEHN Cc1nc(-c2cccc(NC(=O)CN3CCO[C@H](CN(C)C)C3)c2)cs1 ZINC000155327824 545512228 /nfs/dbraw/zinc/51/22/28/545512228.db2.gz NVPCFDBIMNQZKO-QGZVFWFLSA-N 0 3 374.510 2.319 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000155620205 545549942 /nfs/dbraw/zinc/54/99/42/545549942.db2.gz SLLQLWRDYJDRSW-ZBFHGGJFSA-N 0 3 360.454 2.266 10 0 FEAEHN Cc1cc(=O)oc2cc(OCCN3CCC[C@@H](Cn4cncn4)C3)ccc12 ZINC000158067302 545819631 /nfs/dbraw/zinc/81/96/31/545819631.db2.gz OSCVCHASLOKYIO-MRXNPFEDSA-N 0 3 368.437 2.484 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)CCO1 ZINC000158199834 545834807 /nfs/dbraw/zinc/83/48/07/545834807.db2.gz DBJJMDWJZFZTSD-CQSZACIVSA-N 0 3 362.474 2.009 10 0 FEAEHN CN(C)[C@@H](CNC(=O)CN1CCC(Cn2cccn2)CC1)c1ccccc1 ZINC000158412584 545857245 /nfs/dbraw/zinc/85/72/45/545857245.db2.gz HARMHPMKZDNSKI-FQEVSTJZSA-N 0 3 369.513 2.014 10 0 FEAEHN O[C@@H](COc1cccc2[nH]ccc21)CN1CCC(Nc2cccnn2)CC1 ZINC000158940301 545907490 /nfs/dbraw/zinc/90/74/90/545907490.db2.gz XMSODOTYEKSICF-MRXNPFEDSA-N 0 3 367.453 2.274 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CCN1C[C@@H](C)O ZINC000159106187 545921561 /nfs/dbraw/zinc/92/15/61/545921561.db2.gz JFYBRMFSZADBQU-ZTFGCOKTSA-N 0 3 374.447 2.386 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000159283593 545939569 /nfs/dbraw/zinc/93/95/69/545939569.db2.gz FAWCFDKBLUHBRW-HUUCEWRRSA-N 0 3 365.909 2.439 10 0 FEAEHN O=C(CSc1ccccc1)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000159286658 545939760 /nfs/dbraw/zinc/93/97/60/545939760.db2.gz RFNVHOGQNHQXCM-SFHVURJKSA-N 0 3 356.491 2.314 10 0 FEAEHN COc1ccccc1[C@H](CNC(=O)N1CC[C@@H](N(C)C)C1)N1CCCC1 ZINC000170862933 546180638 /nfs/dbraw/zinc/18/06/38/546180638.db2.gz OTZSPHGLTHKXMB-AEFFLSMTSA-N 0 3 360.502 2.178 10 0 FEAEHN COC(=O)COc1c(C)cc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1C ZINC000175894001 546367661 /nfs/dbraw/zinc/36/76/61/546367661.db2.gz SHIPWKJDSFLRQP-RDJZCZTQSA-N 0 3 360.454 2.164 10 0 FEAEHN C[C@@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)Oc1cccc(Cl)c1 ZINC000176144690 546413643 /nfs/dbraw/zinc/41/36/43/546413643.db2.gz CPQYUZOKIHRJGC-BBRMVZONSA-N 0 3 355.866 2.079 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000176237394 546423138 /nfs/dbraw/zinc/42/31/38/546423138.db2.gz VGEWYOJJERXEBN-MRXNPFEDSA-N 0 3 359.470 2.237 10 0 FEAEHN CCOCCOc1cc(C)ccc1CNC(=O)N1CCN2CCC[C@H]2C1 ZINC000176438016 546446771 /nfs/dbraw/zinc/44/67/71/546446771.db2.gz CKTBHUFHMYNBBE-SFHVURJKSA-N 0 3 361.486 2.400 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC1CCN(c2cc(C)nc(C)n2)CC1 ZINC000176886032 546500973 /nfs/dbraw/zinc/50/09/73/546500973.db2.gz FAHFKDVIUMDGSD-GOSISDBHSA-N 0 3 374.533 2.188 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc(N(C)C(C)C)c1 ZINC000176888278 546501148 /nfs/dbraw/zinc/50/11/48/546501148.db2.gz XMHPZMPXSRVINT-GOSISDBHSA-N 0 3 360.502 2.412 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccccc1OC(F)(F)F ZINC000176892658 546501944 /nfs/dbraw/zinc/50/19/44/546501944.db2.gz YSOJNBIOXIEBFV-GFCCVEGCSA-N 0 3 373.375 2.466 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000176890428 546502002 /nfs/dbraw/zinc/50/20/02/546502002.db2.gz ATMPIQHBNHUFGO-CYBMUJFWSA-N 0 3 373.375 2.466 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000176972879 546516956 /nfs/dbraw/zinc/51/69/56/546516956.db2.gz FGWISNTVNHTMPA-RBUKOAKNSA-N 0 3 363.477 2.142 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Cc1cc(OC)c(OC)c(OC)c1 ZINC000176974338 546517121 /nfs/dbraw/zinc/51/71/21/546517121.db2.gz QSINJSMRLNSWJJ-HNNXBMFYSA-N 0 3 350.459 2.198 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000177006085 546521716 /nfs/dbraw/zinc/52/17/16/546521716.db2.gz QEGROBSIXSGTSG-HNNXBMFYSA-N 0 3 371.403 2.378 10 0 FEAEHN CCn1cnnc1[C@H]1CCCN(CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000177035528 546529555 /nfs/dbraw/zinc/52/95/55/546529555.db2.gz BHNOBPDYVMFQQX-ZDUSSCGKSA-N 0 3 360.437 2.228 10 0 FEAEHN Cc1cc2ncn(C[C@H](O)CN3CC[C@](O)(C(F)(F)F)C3)c2cc1C ZINC000177288062 546587735 /nfs/dbraw/zinc/58/77/35/546587735.db2.gz BCQPVRIWLDVYRT-CZUORRHYSA-N 0 3 357.376 2.013 10 0 FEAEHN O=C(Nc1ccc2nc(C3CC3)sc2c1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177687172 546667973 /nfs/dbraw/zinc/66/79/73/546667973.db2.gz QLROLHIFIJWNOQ-CQSZACIVSA-N 0 3 370.478 2.419 10 0 FEAEHN CC(C)(C)c1nc2cc(NC(=O)C(=O)N3CCN4CCC[C@H]4C3)ccc2o1 ZINC000177695691 546669096 /nfs/dbraw/zinc/66/90/96/546669096.db2.gz YCGQPHREGMJPCC-AWEZNQCLSA-N 0 3 370.453 2.370 10 0 FEAEHN O[C@@H](COc1cccc(Br)c1)CN1CCN2CCCC[C@@H]2C1 ZINC000177779170 546684697 /nfs/dbraw/zinc/68/46/97/546684697.db2.gz LATQGIMCHPBVIM-HZPDHXFCSA-N 0 3 369.303 2.359 10 0 FEAEHN COC(=O)c1cccc(NC(=O)CN2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000178754694 546845138 /nfs/dbraw/zinc/84/51/38/546845138.db2.gz QZGRHPWDBYBNMZ-QGZVFWFLSA-N 0 3 356.426 2.081 10 0 FEAEHN O=C([C@@H]1COc2ccc(Br)cc21)N1CCN2CCC[C@@H]2C1 ZINC000179342484 546935984 /nfs/dbraw/zinc/93/59/84/546935984.db2.gz FLGMDTZKATZBLY-TZMCWYRMSA-N 0 3 351.244 2.232 10 0 FEAEHN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000179553645 546975902 /nfs/dbraw/zinc/97/59/02/546975902.db2.gz PLAZNPMLUCKGAU-NSHDSACASA-N 0 3 365.384 2.040 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(COc3ccccc3)cc2)C1 ZINC000179653086 546993251 /nfs/dbraw/zinc/99/32/51/546993251.db2.gz BCGZAHUAGLLJPY-GOSISDBHSA-N 0 3 367.449 2.367 10 0 FEAEHN COC(=O)[C@@H](c1cccc(Br)c1)N1CCN2CCC[C@@H]2C1 ZINC000179659291 546994020 /nfs/dbraw/zinc/99/40/20/546994020.db2.gz JFEAZNTZBMTQFR-HUUCEWRRSA-N 0 3 353.260 2.443 10 0 FEAEHN CN(C(=O)C[C@H](O)c1cccc(F)c1)C1CCN(CCn2cccn2)CC1 ZINC000179832013 547018810 /nfs/dbraw/zinc/01/88/10/547018810.db2.gz GCSNVZJPUNHYLB-IBGZPJMESA-N 0 3 374.460 2.069 10 0 FEAEHN COC(=O)CNC(=O)[C@@H](C)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180063570 547046779 /nfs/dbraw/zinc/04/67/79/547046779.db2.gz RFVNHRJSVMIQGS-BMIGLBTASA-N 0 3 358.360 2.424 10 0 FEAEHN COC(=O)CCn1nc(C)c(CN2CCC[C@H]2Cn2ccnc2C)c1C ZINC000180126735 547055844 /nfs/dbraw/zinc/05/58/44/547055844.db2.gz OWYPMDJJMJCQJS-KRWDZBQOSA-N 0 3 359.474 2.233 10 0 FEAEHN CC(=O)c1cccc(OCc2cc(C(=O)N3CC[C@H](N(C)C)C3)no2)c1 ZINC000180145326 547057715 /nfs/dbraw/zinc/05/77/15/547057715.db2.gz RAMFTVSBOAITAS-HNNXBMFYSA-N 0 3 357.410 2.232 10 0 FEAEHN C[C@H]1C[C@H](C(=O)N2CCC(C(=O)NCCN(C)C)CC2)CC(C)(C)C1 ZINC000180149417 547059150 /nfs/dbraw/zinc/05/91/50/547059150.db2.gz LUCPMIONZVPBJF-RDJZCZTQSA-N 0 3 351.535 2.365 10 0 FEAEHN C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@@H]1CN(C)CCO1 ZINC000180491109 547118180 /nfs/dbraw/zinc/11/81/80/547118180.db2.gz AHPKWSNRPORADP-CHWSQXEVSA-N 0 3 359.392 2.343 10 0 FEAEHN C[C@@H](NC[C@@H]1CN(C)CCO1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180496049 547119260 /nfs/dbraw/zinc/11/92/60/547119260.db2.gz QAZQLMYSUOPWDY-NVXWUHKLSA-N 0 3 366.527 2.384 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)c1cccc(N3CCOC3=O)c1)CC2 ZINC000180632610 547146144 /nfs/dbraw/zinc/14/61/44/547146144.db2.gz XLNJHKJIBZEWQS-DZGCQCFKSA-N 0 3 355.442 2.463 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(-n3cnnn3)cc1)CC2 ZINC000180638379 547147836 /nfs/dbraw/zinc/14/78/36/547147836.db2.gz WUAYGENEECKUTE-HIFRSBDPSA-N 0 3 352.446 2.043 10 0 FEAEHN COc1ccc(Br)c(NC(=O)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000181192163 547267042 /nfs/dbraw/zinc/26/70/42/547267042.db2.gz AHFCRVXJGRGBNR-LBPRGKRZSA-N 0 3 372.263 2.252 10 0 FEAEHN CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@@H](c1ccccc1)N(C)C)CC2 ZINC000181389570 547305654 /nfs/dbraw/zinc/30/56/54/547305654.db2.gz ZVSKDHYZYQQVPJ-SJORKVTESA-N 0 3 370.501 2.318 10 0 FEAEHN CC(C)c1nnc2n1C[C@@H](NC(=O)NCCN(C)Cc1ccccc1)CC2 ZINC000181509535 547325592 /nfs/dbraw/zinc/32/55/92/547325592.db2.gz DLURBHIOHMASCN-KRWDZBQOSA-N 0 3 370.501 2.148 10 0 FEAEHN O=C(CCN1C[C@@H](O)C[C@@H]1CO)Nc1ccc(Oc2ccccc2)cc1 ZINC000184744799 547874290 /nfs/dbraw/zinc/87/42/90/547874290.db2.gz INIKEXBFLLBMOY-SJORKVTESA-N 0 3 356.422 2.235 10 0 FEAEHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191560434 548347475 /nfs/dbraw/zinc/34/74/75/548347475.db2.gz CNIQZSUBAOQNFP-FUHWJXTLSA-N 0 3 360.502 2.063 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000192936188 548376447 /nfs/dbraw/zinc/37/64/47/548376447.db2.gz VMPFBMOUPFADKQ-OAHLLOKOSA-N 0 3 351.497 2.286 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)C1 ZINC000194174526 548445202 /nfs/dbraw/zinc/44/52/02/548445202.db2.gz CMUAXQDBYREXCC-MRXNPFEDSA-N 0 3 374.485 2.237 10 0 FEAEHN CSC1(CNC(=O)N(C)C2CCN(CCn3cccn3)CC2)CCC1 ZINC000195111874 548578022 /nfs/dbraw/zinc/57/80/22/548578022.db2.gz WLYAUUWILILTBO-UHFFFAOYSA-N 0 3 365.547 2.275 10 0 FEAEHN Cn1nccc1C1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000195502900 548650735 /nfs/dbraw/zinc/65/07/35/548650735.db2.gz APXRSDIFAISQGC-UHFFFAOYSA-N 0 3 352.438 2.286 10 0 FEAEHN O=S(=O)(c1ccc(CN2CCC(c3ccn[nH]3)CC2)o1)N1CCCC1 ZINC000195507580 548652439 /nfs/dbraw/zinc/65/24/39/548652439.db2.gz GSJXLLULERQFRT-UHFFFAOYSA-N 0 3 364.471 2.167 10 0 FEAEHN C[C@H]1CN(S(=O)(=O)c2ccc(Br)c(F)c2)C[C@@H]1N(C)C ZINC000229067276 548755165 /nfs/dbraw/zinc/75/51/65/548755165.db2.gz AJGDQJGYLGCNLZ-ZANVPECISA-N 0 3 365.268 2.159 10 0 FEAEHN CCN1CCC[C@H]1CN(C)CC(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000245476230 548931037 /nfs/dbraw/zinc/93/10/37/548931037.db2.gz SRJNLRJSBBVJJW-CVEARBPZSA-N 0 3 363.502 2.297 10 0 FEAEHN C[C@@H]1CN(Cc2ccc(OC[C@H]3CCCO3)cc2)C[C@@H]1N1CCOCC1 ZINC000245512764 548936848 /nfs/dbraw/zinc/93/68/48/548936848.db2.gz AXCZLPRIYKCPHU-UIFIKXQLSA-N 0 3 360.498 2.397 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N(C)Cc2nc([C@H](C)OCC(C)C)no2)C1 ZINC000245678970 548972741 /nfs/dbraw/zinc/97/27/41/548972741.db2.gz GGQPANMXKMRCQD-GJZGRUSLSA-N 0 3 367.494 2.429 10 0 FEAEHN CCOCCN1CCN(Cc2ccc(O[C@H](C)C(=O)OC)cc2)C[C@H]1C ZINC000245698670 548978837 /nfs/dbraw/zinc/97/88/37/548978837.db2.gz CRJNWOAFZBXKKU-IAGOWNOFSA-N 0 3 364.486 2.170 10 0 FEAEHN CN(c1ccccc1NC(=O)C(=O)N1CCN2CCC[C@H]2C1)C1CCCC1 ZINC000246188025 549073054 /nfs/dbraw/zinc/07/30/54/549073054.db2.gz AMJRJOOCRKPUDD-KRWDZBQOSA-N 0 3 370.497 2.311 10 0 FEAEHN Cc1nc(C)n(C[C@@H]2CCCN(C[C@@H](O)COc3cccc(C)c3)C2)n1 ZINC000246217543 549081873 /nfs/dbraw/zinc/08/18/73/549081873.db2.gz AXHWVLMQGUBKGI-RTBURBONSA-N 0 3 358.486 2.355 10 0 FEAEHN CCOC(=O)Cc1csc(NC(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)n1 ZINC000246228671 549084377 /nfs/dbraw/zinc/08/43/77/549084377.db2.gz MJAXMUKPKBEEPN-DGCLKSJQSA-N 0 3 354.476 2.099 10 0 FEAEHN CNC(=O)[C@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC000246237117 549085843 /nfs/dbraw/zinc/08/58/43/549085843.db2.gz SLFBRVQUYXFJJW-SJLPKXTDSA-N 0 3 360.502 2.063 10 0 FEAEHN COc1ccccc1COC[C@H](O)CN1CCC[C@@H](n2cc(C)cn2)C1 ZINC000246280280 549095851 /nfs/dbraw/zinc/09/58/51/549095851.db2.gz HSSBAODMWZRXRA-RTBURBONSA-N 0 3 359.470 2.415 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000246386780 549121624 /nfs/dbraw/zinc/12/16/24/549121624.db2.gz KHCOHKNEDZSFHY-CRAIPNDOSA-N 0 3 374.485 2.009 10 0 FEAEHN COc1cc(C(=O)N(C)C)ccc1NC(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000246398105 549123770 /nfs/dbraw/zinc/12/37/70/549123770.db2.gz LDNCQHPNJGDRJW-CZUORRHYSA-N 0 3 362.474 2.247 10 0 FEAEHN CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000246422759 549129147 /nfs/dbraw/zinc/12/91/47/549129147.db2.gz MQVOQNZEUYZWKL-IUODEOHRSA-N 0 3 351.422 2.008 10 0 FEAEHN O=C1CCCN1C[C@H](O)CN1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000246428109 549131350 /nfs/dbraw/zinc/13/13/50/549131350.db2.gz CLDDBYVDXTXVSL-GVDBMIGSSA-N 0 3 366.527 2.400 10 0 FEAEHN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246461930 549138882 /nfs/dbraw/zinc/13/88/82/549138882.db2.gz NNGUMDPKOMMZHY-SBHAEUEKSA-N 0 3 373.541 2.465 10 0 FEAEHN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1 ZINC000246749721 549204228 /nfs/dbraw/zinc/20/42/28/549204228.db2.gz GTJDBCVJRYOZEU-BHIYHBOVSA-N 0 3 355.482 2.181 10 0 FEAEHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C)N1C(=O)c2ccccc2C1=O ZINC000246846029 549227859 /nfs/dbraw/zinc/22/78/59/549227859.db2.gz FDRKJBZDMVLGOS-BMGDILEWSA-N 0 3 371.481 2.152 10 0 FEAEHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000246904664 549240287 /nfs/dbraw/zinc/24/02/87/549240287.db2.gz COFRLJDAFWMMBO-CVEARBPZSA-N 0 3 360.506 2.183 10 0 FEAEHN CC[C@@H]1CN(C(=O)[C@H](C)N2CCc3ccccc3C2)CCN1CCOC ZINC000246994054 549260624 /nfs/dbraw/zinc/26/06/24/549260624.db2.gz GICAFIRVSXCUQW-FXAWDEMLSA-N 0 3 359.514 2.002 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H](c1ccccc1)N1CCSCC1 ZINC000247058437 549274792 /nfs/dbraw/zinc/27/47/92/549274792.db2.gz HEZTWZVHDDQXEU-QRQLOZEOSA-N 0 3 359.539 2.472 10 0 FEAEHN COCCN1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C[C@H]1C ZINC000247235108 549303403 /nfs/dbraw/zinc/30/34/03/549303403.db2.gz WRDREYKDDUFAHW-UYAOXDASSA-N 0 3 374.529 2.186 10 0 FEAEHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@H]2c2ccco2)CC1=O ZINC000247267154 549308468 /nfs/dbraw/zinc/30/84/68/549308468.db2.gz QYAIMAAEXDZLCX-GVDBMIGSSA-N 0 3 359.470 2.276 10 0 FEAEHN Cc1nc(CC(C)C)c(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)s1 ZINC000247318631 549316683 /nfs/dbraw/zinc/31/66/83/549316683.db2.gz INVKFNVBEOKSBV-DOMZBBRYSA-N 0 3 366.531 2.433 10 0 FEAEHN CC[C@@H]1CN(CCC(=O)N[C@@H]2CCCc3ccccc32)CCN1C[C@H](C)O ZINC000247871532 549387241 /nfs/dbraw/zinc/38/72/41/549387241.db2.gz XOQUGQCECCGKIP-FBBABVLZSA-N 0 3 373.541 2.347 10 0 FEAEHN CC[C@@H]1CN(C[C@@H](O)COc2cc(C)ccc2Cl)CCN1CCOC ZINC000248554345 549456394 /nfs/dbraw/zinc/45/63/94/549456394.db2.gz HRDVRCZGPSKKOY-IAGOWNOFSA-N 0 3 370.921 2.431 10 0 FEAEHN CNC(=O)[C@H](NC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C)C(C)C ZINC000248655782 549478954 /nfs/dbraw/zinc/47/89/54/549478954.db2.gz QUXCDZDHGYTIPW-QZTJIDSGSA-N 0 3 362.518 2.213 10 0 FEAEHN CCCCOC[C@@H](O)CN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000248657330 549478982 /nfs/dbraw/zinc/47/89/82/549478982.db2.gz SIHXFLOYHCKGND-SJORKVTESA-N 0 3 353.438 2.199 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)N[C@H](C)CN2CCC[C@@H](C)C2)C12CCOCC2 ZINC000248706218 549487460 /nfs/dbraw/zinc/48/74/60/549487460.db2.gz LZTVWTXOONFTSS-ZJPYXAASSA-N 0 3 367.534 2.380 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCN([C@H](C)c3nccs3)CC2)C1 ZINC000248773709 549500576 /nfs/dbraw/zinc/50/05/76/549500576.db2.gz YMNVSCNJZPVJBA-CABCVRRESA-N 0 3 351.520 2.016 10 0 FEAEHN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000248827458 549507949 /nfs/dbraw/zinc/50/79/49/549507949.db2.gz XQOLVWRBKPPODZ-RTBURBONSA-N 0 3 373.497 2.049 10 0 FEAEHN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000248827458 549507951 /nfs/dbraw/zinc/50/79/51/549507951.db2.gz XQOLVWRBKPPODZ-RTBURBONSA-N 0 3 373.497 2.049 10 0 FEAEHN C[C@@H](CC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)N1CCCCC1=O ZINC000249036139 549541785 /nfs/dbraw/zinc/54/17/85/549541785.db2.gz XMIJPFBUUYFWKQ-AOIWGVFYSA-N 0 3 357.498 2.414 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C)c(OC)c1C ZINC000249196699 549568685 /nfs/dbraw/zinc/56/86/85/549568685.db2.gz QGRAKHVDWWPPAN-HOTGVXAUSA-N 0 3 359.470 2.336 10 0 FEAEHN OC[C@@H]1CN(C[C@@H](O)COc2ccccc2F)C[C@H]1c1ccsc1 ZINC000249584969 549608381 /nfs/dbraw/zinc/60/83/81/549608381.db2.gz SPCBMRXHFVAJNC-XHSDSOJGSA-N 0 3 351.443 2.335 10 0 FEAEHN O[C@@H](COc1ccc(Cl)cc1)CN1CCC[C@@H](Cn2cncn2)C1 ZINC000252353127 549664747 /nfs/dbraw/zinc/66/47/47/549664747.db2.gz RYWBRHCBGIVTOK-GDBMZVCRSA-N 0 3 350.850 2.083 10 0 FEAEHN CCN1CCC[C@H](NC(=O)[C@@](C)(N)c2ccc(Br)cc2)C1 ZINC000261635192 549737393 /nfs/dbraw/zinc/73/73/93/549737393.db2.gz CBRUIKPMLHPFOB-HOCLYGCPSA-N 0 3 354.292 2.224 10 0 FEAEHN CCN(CC)C(=O)c1ccc(NC(=O)C2(N)CCOCC2)cc1Cl ZINC000261698314 549744302 /nfs/dbraw/zinc/74/43/02/549744302.db2.gz DOLLLXLJUPTKQO-UHFFFAOYSA-N 0 3 353.850 2.268 10 0 FEAEHN NC1(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)CCOCC1 ZINC000261892545 549767107 /nfs/dbraw/zinc/76/71/07/549767107.db2.gz QTLOXZPBSUFTDR-UHFFFAOYSA-N 0 3 350.846 2.269 10 0 FEAEHN Cc1cccc(-c2c[nH]c([C@@H]3CCCN3CCC(=O)N3CCNCC3)n2)c1 ZINC000262228166 549801058 /nfs/dbraw/zinc/80/10/58/549801058.db2.gz VCLJAVXHICDCHE-IBGZPJMESA-N 0 3 367.497 2.344 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2csc(-c3ccc4c(c3)OCO4)n2)n1 ZINC000263151961 549881812 /nfs/dbraw/zinc/88/18/12/549881812.db2.gz DDEUFGHIFHRJFY-GFCCVEGCSA-N 0 3 371.422 2.165 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(C2(c3ccc(Cl)cc3)CCOCC2)n1 ZINC000263206453 549885766 /nfs/dbraw/zinc/88/57/66/549885766.db2.gz JSEFLNQYXFFXKE-OAHLLOKOSA-N 0 3 362.861 2.396 10 0 FEAEHN CN1CCNC[C@H]1c1noc(Cc2ccc(F)c(Br)c2)n1 ZINC000263238919 549888489 /nfs/dbraw/zinc/88/84/89/549888489.db2.gz OIQHSTKEZXUYPC-LBPRGKRZSA-N 0 3 355.211 2.138 10 0 FEAEHN c1cc(-c2nc3c(c(N4CCN(C[C@@H]5CCOC5)CC4)n2)CCC3)ccn1 ZINC000301595394 553664473 /nfs/dbraw/zinc/66/44/73/553664473.db2.gz YXSNGEJSZJMGBN-INIZCTEOSA-N 0 3 365.481 2.186 10 0 FEAEHN Nc1ccc(S(=O)(=O)N[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cc1 ZINC000311615143 553754986 /nfs/dbraw/zinc/75/49/86/553754986.db2.gz GDWNSNLEZLWXMG-FFZOFVMBSA-N 0 3 371.506 2.458 10 0 FEAEHN CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(Cc2ccc(CO)cc2)CC1 ZINC000328622065 553797772 /nfs/dbraw/zinc/79/77/72/553797772.db2.gz AYZNIRQXGSXDQW-OAQYLSRUSA-N 0 3 368.481 2.372 10 0 FEAEHN O=c1[nH]ccnc1N1CCC[C@H](N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000328653470 553802681 /nfs/dbraw/zinc/80/26/81/553802681.db2.gz WWKKBANQBVJIEQ-OALUTQOASA-N 0 3 367.497 2.405 10 0 FEAEHN CCN1C[C@H](C)[C@H](NCc2ncc(I)s2)C1 ZINC000381742887 558603724 /nfs/dbraw/zinc/60/37/24/558603724.db2.gz PKSOITKLSHKKMS-DTWKUNHWSA-N 0 3 351.257 2.178 10 0 FEAEHN Cc1ccc(OC[C@@H](O)CN[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000025695800 670064135 /nfs/dbraw/zinc/06/41/35/670064135.db2.gz ZSVMTZQJDLKALR-WBVHZDCISA-N 0 3 363.479 2.489 10 0 FEAEHN CC(C)CN(CCN(C)C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000045254056 670201826 /nfs/dbraw/zinc/20/18/26/670201826.db2.gz VDVUMXGTXBCWDG-HNNXBMFYSA-N 0 3 369.531 2.380 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC000067408102 670457702 /nfs/dbraw/zinc/45/77/02/670457702.db2.gz MNDQZWNFZPCCOL-CQSZACIVSA-N 0 3 354.495 2.169 10 0 FEAEHN CCN1CCO[C@@H](CNCc2cc(Br)cc3c2OCC3)C1 ZINC000122413214 671966204 /nfs/dbraw/zinc/96/62/04/671966204.db2.gz NULJXYUZRBBOJM-HNNXBMFYSA-N 0 3 355.276 2.194 10 0 FEAEHN CCC[C@H](C(=O)N1CCN(Cc2c(CC)nn(C)c2Cl)CC1)N(C)C ZINC000153015353 672192051 /nfs/dbraw/zinc/19/20/51/672192051.db2.gz ZDQCBRQCBOFKTI-MRXNPFEDSA-N 0 3 369.941 2.010 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000171683143 672334530 /nfs/dbraw/zinc/33/45/30/672334530.db2.gz DHMOTSQMYDIXOM-CABCVRRESA-N 0 3 354.495 2.169 10 0 FEAEHN COCCCS(=O)(=O)NCCN[C@@H](C)c1ccc2ccccc2c1 ZINC000181508613 672427546 /nfs/dbraw/zinc/42/75/46/672427546.db2.gz UXYHXYYOEAOUGK-HNNXBMFYSA-N 0 3 350.484 2.446 10 0 FEAEHN C[C@H](O)CN1CCN(C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000246023219 672828326 /nfs/dbraw/zinc/82/83/26/672828326.db2.gz MAGLLKDUGKQDNG-YESZJQIVSA-N 0 3 355.523 2.020 10 0 FEAEHN CCOCCN1CCN(C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000246494496 672837781 /nfs/dbraw/zinc/83/77/81/672837781.db2.gz APWFVRQREPZZLK-IAGOWNOFSA-N 0 3 355.523 2.286 10 0 FEAEHN C[C@H](O)CN1CCN(C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000248660071 672860338 /nfs/dbraw/zinc/86/03/38/672860338.db2.gz DBGBDLLCMHHTOA-GJYPPUQNSA-N 0 3 355.523 2.020 10 0 FEAEHN COc1ccc(Cc2c(OCCN(C)C)nc3ccccn3c2=O)cc1 ZINC000001607193 210226918 /nfs/dbraw/zinc/22/69/18/210226918.db2.gz HKDJBVYUFOBVNW-UHFFFAOYSA-N 0 3 353.422 2.234 10 0 FEAEHN COc1cc(NC(=O)CN2CCN3CCC[C@@H]3C2)c(OC)cc1Cl ZINC000023249629 539710725 /nfs/dbraw/zinc/71/07/25/539710725.db2.gz GVXRZKKRAKUNIY-GFCCVEGCSA-N 0 3 353.850 2.076 10 0 FEAEHN O=C(Cc1ccc(Cl)cc1)NCCNC[C@@H](O)COc1ccccc1 ZINC000028756239 539837023 /nfs/dbraw/zinc/83/70/23/539837023.db2.gz SPAMTDUYCILZHK-QGZVFWFLSA-N 0 3 362.857 2.028 10 0 FEAEHN CC(C)C(=O)N1CCC(NC(=O)N[C@@H](CN(C)C)c2ccccc2)CC1 ZINC000048216724 540351957 /nfs/dbraw/zinc/35/19/57/540351957.db2.gz ZCOYVFRDHGINIY-SFHVURJKSA-N 0 3 360.502 2.236 10 0 FEAEHN O=C(NCCSCc1ccccc1F)NC[C@H](O)CN1CCCCC1 ZINC000049173211 540383271 /nfs/dbraw/zinc/38/32/71/540383271.db2.gz QDWHSCHZTQDACN-INIZCTEOSA-N 0 3 369.506 2.205 10 0 FEAEHN O=C(NCc1cccc(C(F)(F)F)c1)NC[C@H](O)CN1CCCCC1 ZINC000049172528 540383578 /nfs/dbraw/zinc/38/35/78/540383578.db2.gz WLPNCLKPHKAFKA-HNNXBMFYSA-N 0 3 359.392 2.351 10 0 FEAEHN Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H](CN(C)C)c1ccccc1)C2=O ZINC000052555910 540473146 /nfs/dbraw/zinc/47/31/46/540473146.db2.gz ISBLHNYWHGYTBG-SFHVURJKSA-N 0 3 365.433 2.010 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)C1 ZINC000052593752 540475857 /nfs/dbraw/zinc/47/58/57/540475857.db2.gz HCDRSJZXSMSIJQ-DLBZAZTESA-N 0 3 373.501 2.234 10 0 FEAEHN Cc1cccc(C)c1OC[C@@H](C)NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000056959819 540758213 /nfs/dbraw/zinc/75/82/13/540758213.db2.gz OIVHGNAVNHJGDA-MSOLQXFVSA-N 0 3 363.502 2.217 10 0 FEAEHN C[C@@H]1CN(C[C@@H]2CCCN2C[C@H](O)COCc2ccccc2)C[C@@H](C)O1 ZINC000066961120 541401540 /nfs/dbraw/zinc/40/15/40/541401540.db2.gz UHIDQBFNATWYTE-QCFAMHMHSA-N 0 3 362.514 2.138 10 0 FEAEHN CN(C[C@H]1CCN(C)C1)S(=O)(=O)c1ccc(F)cc1Br ZINC000071193001 541765817 /nfs/dbraw/zinc/76/58/17/541765817.db2.gz RMHVJHTYMMLUFH-JTQLQIEISA-N 0 3 365.268 2.160 10 0 FEAEHN O[C@H]1C[C@H]2CN(Cc3cccc(OCc4ccccn4)c3)C[C@H]2C[C@@H]1O ZINC000072151195 541789653 /nfs/dbraw/zinc/78/96/53/541789653.db2.gz NLTVWYHKFCHAJX-JWWGGVBKSA-N 0 3 354.450 2.224 10 0 FEAEHN C[C@@H](CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)N1CCOCC1 ZINC000074850633 542129211 /nfs/dbraw/zinc/12/92/11/542129211.db2.gz MXLYQECHYMEOFC-ICSRJNTNSA-N 0 3 374.529 2.013 10 0 FEAEHN CN(C[C@@H]1CCN(C)C1)C(=O)c1ccccc1I ZINC000071190464 221336043 /nfs/dbraw/zinc/33/60/43/221336043.db2.gz YXLCXOBBEFMKQG-LLVKDONJSA-N 0 3 358.223 2.315 10 0 FEAEHN C[C@@]1(CO)CCCN(Cc2cn(C3CCN(c4ccncc4)CC3)nn2)C1 ZINC000023310678 136152632 /nfs/dbraw/zinc/15/26/32/136152632.db2.gz QCESAJYYPARERH-HXUWFJFHSA-N 0 3 370.501 2.109 10 0 FEAEHN Cc1ncc(CN2CCC[C@H](Cn3cc(-c4ccccn4)nn3)C2)n1C ZINC000095526335 542980903 /nfs/dbraw/zinc/98/09/03/542980903.db2.gz RYSXGISTTDNIHZ-INIZCTEOSA-N 0 3 351.458 2.294 10 0 FEAEHN O=C(NCCCN1CCc2ccccc2C1)N1CCN2CCCC[C@@H]2C1 ZINC000105128663 543161017 /nfs/dbraw/zinc/16/10/17/543161017.db2.gz PHRHEYXUMXZPJE-HXUWFJFHSA-N 0 3 356.514 2.315 10 0 FEAEHN O=C(CCN1CCCN(c2cccnn2)CC1)NCc1ccccc1Cl ZINC000106069932 543188185 /nfs/dbraw/zinc/18/81/85/543188185.db2.gz IQKPZTKQRKDPQS-UHFFFAOYSA-N 0 3 373.888 2.349 10 0 FEAEHN COc1ccc(Cl)cc1NC(=O)CCN1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000106099250 543196599 /nfs/dbraw/zinc/19/65/99/543196599.db2.gz CNLVBXFHCNNLDH-UONOGXRCSA-N 0 3 369.893 2.064 10 0 FEAEHN C[C@@H](O)CN1CCN(CCC(=O)Nc2ccc(Cl)cc2F)C[C@@H]1C ZINC000106099277 543196708 /nfs/dbraw/zinc/19/67/08/543196708.db2.gz ILKHPKJDVOLKJK-QWHCGFSZSA-N 0 3 357.857 2.195 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)COc2cccc3ccccc32)CCN1C[C@@H](C)O ZINC000106103217 543197602 /nfs/dbraw/zinc/19/76/02/543197602.db2.gz DMQSWKDYLWVORZ-RLLQIKCJSA-N 0 3 372.509 2.357 10 0 FEAEHN CN(CC(=O)Nc1ccccc1F)C1CCN(CCn2cccn2)CC1 ZINC000106130330 543205339 /nfs/dbraw/zinc/20/53/39/543205339.db2.gz SGINBKVPJKMVAL-UHFFFAOYSA-N 0 3 359.449 2.057 10 0 FEAEHN CC[C@@H]1CCCCN1C(=O)CN(C)C1CCN(CCn2cccn2)CC1 ZINC000106129943 543205411 /nfs/dbraw/zinc/20/54/11/543205411.db2.gz SIABHMWWFFNWQS-GOSISDBHSA-N 0 3 361.534 2.070 10 0 FEAEHN CCOCCN1CCN(C[C@H](O)COc2ccc(C)cc2)C[C@H]1CC ZINC000106117476 543202586 /nfs/dbraw/zinc/20/25/86/543202586.db2.gz VLJVFTUKGRUTJV-MOPGFXCFSA-N 0 3 350.503 2.167 10 0 FEAEHN O=C(NCc1ccc(Br)cc1)NC[C@H](O)CN1CCCCC1 ZINC000106578451 543238967 /nfs/dbraw/zinc/23/89/67/543238967.db2.gz YGEQWSVRNBHXIR-HNNXBMFYSA-N 0 3 370.291 2.095 10 0 FEAEHN Cc1ccc(N2CCCN(CCC(=O)NCC3CCCCC3)CC2)nn1 ZINC000109005230 543310497 /nfs/dbraw/zinc/31/04/97/543310497.db2.gz INYCTLDLRGJIAT-UHFFFAOYSA-N 0 3 359.518 2.384 10 0 FEAEHN COc1ccc(OCc2ccccn2)c(CN[C@@H]2CCc3ncnn3C2)c1 ZINC000109072594 543313525 /nfs/dbraw/zinc/31/35/25/543313525.db2.gz ASRZDUOOKZDKPL-MRXNPFEDSA-N 0 3 365.437 2.365 10 0 FEAEHN COc1ccc(CN[C@H]2CCc3ncnn3C2)cc1OCc1cccnc1 ZINC000109072311 543313553 /nfs/dbraw/zinc/31/35/53/543313553.db2.gz QXVQCQAWARHKRV-KRWDZBQOSA-N 0 3 365.437 2.365 10 0 FEAEHN CN(CCCN1CCN(C)CC1)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000110867189 543371166 /nfs/dbraw/zinc/37/11/66/543371166.db2.gz QNTQUJSUQMYPHI-CVEARBPZSA-N 0 3 351.441 2.164 10 0 FEAEHN Cc1ncc(CN2CCN(C(=O)[C@@H](C)N3[C@H](C)CC[C@@H]3C)CC2)s1 ZINC000111622765 543409690 /nfs/dbraw/zinc/40/96/90/543409690.db2.gz IWNZLFWYGAZYPI-QLFBSQMISA-N 0 3 350.532 2.357 10 0 FEAEHN C[C@@H](NC(=O)N(C)C1CCN(CCn2cccn2)CC1)c1cccc(O)c1 ZINC000112459313 543447535 /nfs/dbraw/zinc/44/75/35/543447535.db2.gz JYPPDXPPVFXQAB-MRXNPFEDSA-N 0 3 371.485 2.456 10 0 FEAEHN Cc1nc(NC(=O)[C@H](C)N[C@@H]2CCc3nc(C(C)C)nn3C2)sc1C ZINC000112551615 543452121 /nfs/dbraw/zinc/45/21/21/543452121.db2.gz VNPLPUXZNGBQQE-WCQYABFASA-N 0 3 362.503 2.406 10 0 FEAEHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000112551704 543452146 /nfs/dbraw/zinc/45/21/46/543452146.db2.gz WTMIBWFEQJLPAN-DZGCQCFKSA-N 0 3 357.458 2.342 10 0 FEAEHN Cc1ccccc1CNC(=O)[C@H](C)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000112551359 543452169 /nfs/dbraw/zinc/45/21/69/543452169.db2.gz GUAVLGOFYKODRM-DOTOQJQBSA-N 0 3 355.486 2.319 10 0 FEAEHN O=C(OCc1ccccc1)N1CC(C(=O)N2CCCN(C3CCC3)CC2)C1 ZINC000114186658 543506499 /nfs/dbraw/zinc/50/64/99/543506499.db2.gz ACVVUTWRWZTLBV-UHFFFAOYSA-N 0 3 371.481 2.342 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)CCc3ccccc3O)CC2)nc1 ZINC000114414692 543514726 /nfs/dbraw/zinc/51/47/26/543514726.db2.gz CCTLXGIUQNOXSB-UHFFFAOYSA-N 0 3 368.481 2.130 10 0 FEAEHN COc1ccc(C(=O)N(C)C2CCN(CCn3cccn3)CC2)c(OC)c1 ZINC000114689766 543529632 /nfs/dbraw/zinc/52/96/32/543529632.db2.gz FOQFRWHCHFHWSK-UHFFFAOYSA-N 0 3 372.469 2.137 10 0 FEAEHN CCCCOc1ccc(CCNC(=O)N2CCO[C@@H](CN(C)C)C2)cc1 ZINC000117030581 543621758 /nfs/dbraw/zinc/62/17/58/543621758.db2.gz VFAQTTJSGGDZGT-IBGZPJMESA-N 0 3 363.502 2.380 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Cc2csc(Cc3ccccc3)n2)CCO1 ZINC000116785688 543615902 /nfs/dbraw/zinc/61/59/02/543615902.db2.gz HQKHLEMLRNWWEV-QGZVFWFLSA-N 0 3 359.495 2.065 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cccc(OC(F)F)c1 ZINC000121849318 543700352 /nfs/dbraw/zinc/70/03/52/543700352.db2.gz QLHOGSQIQFSSJG-ZDUSSCGKSA-N 0 3 357.401 2.319 10 0 FEAEHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000123318247 543754788 /nfs/dbraw/zinc/75/47/88/543754788.db2.gz TVDNNBUYDVWYHV-LAUBAEHRSA-N 0 3 373.497 2.149 10 0 FEAEHN CC(C)Cn1ccc2cc(NC(=O)C(=O)N3CC[C@H](N(C)C)C3)ccc21 ZINC000124117133 543801551 /nfs/dbraw/zinc/80/15/51/543801551.db2.gz NVXMAYIVWPRBTF-KRWDZBQOSA-N 0 3 356.470 2.398 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)Nc2ccn(CCc3ccncc3)n2)[C@@H](C)C1 ZINC000124739112 543839879 /nfs/dbraw/zinc/83/98/79/543839879.db2.gz WBOASIGHJMHUAD-RDJZCZTQSA-N 0 3 356.474 2.371 10 0 FEAEHN Cc1ccc(OC(F)F)c(CNC(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000125463467 543883060 /nfs/dbraw/zinc/88/30/60/543883060.db2.gz GBXGZUANWAFDRU-CQSZACIVSA-N 0 3 357.401 2.068 10 0 FEAEHN CCn1cnnc1[C@H]1CCCN(C[C@H](O)COCc2cccs2)C1 ZINC000126171241 543921952 /nfs/dbraw/zinc/92/19/52/543921952.db2.gz NJLUEHPJPNSHLA-GJZGRUSLSA-N 0 3 350.488 2.117 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000129459524 544113392 /nfs/dbraw/zinc/11/33/92/544113392.db2.gz FUHQHRSMJQFCFN-GFCCVEGCSA-N 0 3 357.376 2.279 10 0 FEAEHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)C1 ZINC000247496534 549345029 /nfs/dbraw/zinc/34/50/29/549345029.db2.gz XGQVGSJSIKYBDW-XDNAFOTISA-N 0 3 366.550 2.442 10 0 FEAEHN O=C(N[C@@H]1CC2(CCN(CCO)CC2)c2ccccc21)c1ccncc1 ZINC000096079089 222015205 /nfs/dbraw/zinc/01/52/05/222015205.db2.gz QFBJISRKIOKZPD-LJQANCHMSA-N 0 3 351.450 2.282 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1cccc(OC(F)F)c1 ZINC000121849447 222523537 /nfs/dbraw/zinc/52/35/37/222523537.db2.gz QLHOGSQIQFSSJG-CYBMUJFWSA-N 0 3 357.401 2.319 10 0 FEAEHN COC(=O)c1ccccc1-c1ccc(CN[C@@H]2CCc3ncnn3C2)o1 ZINC000133867468 544286298 /nfs/dbraw/zinc/28/62/98/544286298.db2.gz WBSMVTVZCMVHDO-CYBMUJFWSA-N 0 3 352.394 2.429 10 0 FEAEHN CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000134201997 544298357 /nfs/dbraw/zinc/29/83/57/544298357.db2.gz GDBFAOHSVWRDRS-ZHALLVOQSA-N 0 3 361.461 2.336 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cccc(-c3cnco3)c2)C1 ZINC000150790303 544471281 /nfs/dbraw/zinc/47/12/81/544471281.db2.gz PBAJHUPCQMXSSC-CJNGLKHVSA-N 0 3 356.426 2.125 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)c2ccccc2Br)CCN1C[C@@H](C)O ZINC000152940883 544714479 /nfs/dbraw/zinc/71/44/79/544714479.db2.gz ALJCEVLOWWEDAL-CPUCHLNUSA-N 0 3 371.319 2.260 10 0 FEAEHN CN(c1cccnn1)C1CCN(C[C@H](O)COCc2ccccc2F)CC1 ZINC000155055607 544982500 /nfs/dbraw/zinc/98/25/00/544982500.db2.gz ANRQDGKYHSKLLS-SFHVURJKSA-N 0 3 374.460 2.094 10 0 FEAEHN CN(C)C[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CCO1 ZINC000181646255 327740264 /nfs/dbraw/zinc/74/02/64/327740264.db2.gz FDMNHDUPOZWEKI-ZDUSSCGKSA-N 0 3 367.298 2.086 10 0 FEAEHN CCO[C@@H]1C[C@@H](N[C@@H]2CCN(c3ccccc3F)C2=O)C12CCOCC2 ZINC000186403791 327960409 /nfs/dbraw/zinc/96/04/09/327960409.db2.gz BZODGWLIVUNPJZ-KBAYOESNSA-N 0 3 362.445 2.495 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2c[nH]nc2-c2cc3ccccc3o2)CCO1 ZINC000187070060 328000387 /nfs/dbraw/zinc/00/03/87/328000387.db2.gz ABLYNEWMLUACPP-AWEZNQCLSA-N 0 3 354.410 2.226 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)CCO1 ZINC000189039226 328125005 /nfs/dbraw/zinc/12/50/05/328125005.db2.gz LMGFVAIYWYSEGC-GJZGRUSLSA-N 0 3 359.392 2.305 10 0 FEAEHN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000189392785 328145314 /nfs/dbraw/zinc/14/53/14/328145314.db2.gz QKWQROBBNHCJHF-JKSUJKDBSA-N 0 3 359.430 2.434 10 0 FEAEHN C[C@@H](NC(=O)N(C)CC1(N(C)C)CCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000189619556 328158386 /nfs/dbraw/zinc/15/83/86/328158386.db2.gz MRTHBVHNHDTHKV-CQSZACIVSA-N 0 3 367.515 2.277 10 0 FEAEHN C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCc1nnc(-c2ccccc2)[n-]1 ZINC000189783186 328167686 /nfs/dbraw/zinc/16/76/86/328167686.db2.gz JHEAPNFYFNQZIE-GOSISDBHSA-N 0 3 363.465 2.303 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(SC(F)F)nc1 ZINC000190081921 328186757 /nfs/dbraw/zinc/18/67/57/328186757.db2.gz ZWBKOPWLTOTPCH-CMPLNLGQSA-N 0 3 370.425 2.030 10 0 FEAEHN CC1CCN(CCNC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)CC1 ZINC000190210105 328194532 /nfs/dbraw/zinc/19/45/32/328194532.db2.gz SYLMWWAEPNJYIO-IRXDYDNUSA-N 0 3 351.516 2.197 10 0 FEAEHN Cc1cnn(CCC(=O)N2CC[C@H](CN(C)Cc3scnc3C)C2)c1 ZINC000190513873 328212825 /nfs/dbraw/zinc/21/28/25/328212825.db2.gz MQIRGRAEKOOESD-MRXNPFEDSA-N 0 3 361.515 2.327 10 0 FEAEHN CCC[C@H](C(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1)N(C)C ZINC000190516703 328213053 /nfs/dbraw/zinc/21/30/53/328213053.db2.gz MRPXCHBJBZLJTA-JKSUJKDBSA-N 0 3 352.548 2.462 10 0 FEAEHN Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000190556309 328215882 /nfs/dbraw/zinc/21/58/82/328215882.db2.gz LABLIEYVZUETRS-HNNXBMFYSA-N 0 3 359.392 2.486 10 0 FEAEHN C[C@H](O)CC(C)(C)CNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190718948 328227333 /nfs/dbraw/zinc/22/73/33/328227333.db2.gz SZEYULRGYAZNFS-WMZOPIPTSA-N 0 3 362.518 2.342 10 0 FEAEHN C[C@@H]1OCCC[C@@H]1C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000191266323 328257350 /nfs/dbraw/zinc/25/73/50/328257350.db2.gz ZAMJDMZISYHWTF-ICSRJNTNSA-N 0 3 359.514 2.078 10 0 FEAEHN CC(C)[C@H](C(=O)NCCN1CCc2ccccc2C1=O)N1CCCCC1 ZINC000191299028 328258987 /nfs/dbraw/zinc/25/89/87/328258987.db2.gz WJMNUPQOKLDBKV-LJQANCHMSA-N 0 3 357.498 2.312 10 0 FEAEHN Cc1cc([N-]C(=O)C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)on1 ZINC000191905341 328287856 /nfs/dbraw/zinc/28/78/56/328287856.db2.gz JCYGNHXSPYVAMA-STQMWFEESA-N 0 3 352.435 2.205 10 0 FEAEHN Cc1cc(NC(=O)CN[C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)on1 ZINC000191905341 328287857 /nfs/dbraw/zinc/28/78/57/328287857.db2.gz JCYGNHXSPYVAMA-STQMWFEESA-N 0 3 352.435 2.205 10 0 FEAEHN N[C@@H](CNS(=O)(=O)c1ccccc1Br)c1ccccc1 ZINC000036297605 324488454 /nfs/dbraw/zinc/48/84/54/324488454.db2.gz JGRJGFALWBKXLG-ZDUSSCGKSA-N 0 3 355.257 2.427 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000237048238 328502729 /nfs/dbraw/zinc/50/27/29/328502729.db2.gz GNONMKRXXMVHDW-SWLSCSKDSA-N 0 3 371.403 2.363 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000237050393 328502780 /nfs/dbraw/zinc/50/27/80/328502780.db2.gz RKEKXOGJUPNDOL-DZGCQCFKSA-N 0 3 352.548 2.458 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000237078488 328503714 /nfs/dbraw/zinc/50/37/14/328503714.db2.gz VWGBABCLYMJAMX-RRQGHBQHSA-N 0 3 353.894 2.203 10 0 FEAEHN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000083724788 325223492 /nfs/dbraw/zinc/22/34/92/325223492.db2.gz ABVDHIKNTXTGMC-ROUUACIJSA-N 0 3 368.485 2.385 10 0 FEAEHN CCC[C@H](C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)N(C)C ZINC000091771077 325393515 /nfs/dbraw/zinc/39/35/15/325393515.db2.gz HSIYZRSHABUDAH-BFYDXBDKSA-N 0 3 351.878 2.458 10 0 FEAEHN Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C[NH3+])sc1Br ZINC000094541466 325454122 /nfs/dbraw/zinc/45/41/22/325454122.db2.gz XWKJCIMFHZPKKZ-RKDXNWHRSA-N 0 3 353.307 2.225 10 0 FEAEHN Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000111139903 325702205 /nfs/dbraw/zinc/70/22/05/325702205.db2.gz SHGPTDYJKJUXTG-GOSISDBHSA-N 0 3 366.469 2.093 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)CSC(C)(C)C)CC2)nc1 ZINC000114415667 325891365 /nfs/dbraw/zinc/89/13/65/325891365.db2.gz JYYPSZFZHWAHDO-UHFFFAOYSA-N 0 3 350.532 2.324 10 0 FEAEHN C[C@H](N[C@@H]1CCc2ncnn2C1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000114752611 325920814 /nfs/dbraw/zinc/92/08/14/325920814.db2.gz VONZCGXODHBLMY-NWDGAFQWSA-N 0 3 365.840 2.022 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000114835016 325925664 /nfs/dbraw/zinc/92/56/64/325925664.db2.gz AXYWOZAFDSEGBT-CQSZACIVSA-N 0 3 363.849 2.278 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000114933348 325934403 /nfs/dbraw/zinc/93/44/03/325934403.db2.gz QQAYSZOSTBGIGX-MSOLQXFVSA-N 0 3 360.502 2.236 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)c1ccsc1 ZINC000117031419 326048533 /nfs/dbraw/zinc/04/85/33/326048533.db2.gz LLEZZVMIWSWRFR-DLBZAZTESA-N 0 3 368.547 2.103 10 0 FEAEHN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCCN3CCC(C)CC3)C2)n1 ZINC000117031877 326048653 /nfs/dbraw/zinc/04/86/53/326048653.db2.gz RCHCFHVSVMPOSO-GOSISDBHSA-N 0 3 362.522 2.048 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NCc2cccc(COC(C)(C)C)c2)CCO1 ZINC000117043168 326049289 /nfs/dbraw/zinc/04/92/89/326049289.db2.gz OKCDENSMOSKFPE-GOSISDBHSA-N 0 3 363.502 2.474 10 0 FEAEHN COCCN1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)C[C@H]1C ZINC000117398167 326059370 /nfs/dbraw/zinc/05/93/70/326059370.db2.gz XPJRGNGCRLSWHX-GOSISDBHSA-N 0 3 374.529 2.013 10 0 FEAEHN Cc1cc(C)cc(OC[C@@H](O)CN2CCCN(c3cccnn3)CC2)c1 ZINC000118005773 326076702 /nfs/dbraw/zinc/07/67/02/326076702.db2.gz PZEKEELOOMKIOD-SFHVURJKSA-N 0 3 356.470 2.045 10 0 FEAEHN COc1ccc([C@H](CNC(=O)NCCn2cc(C)cn2)N2CCCC2)cc1 ZINC000118051341 326078206 /nfs/dbraw/zinc/07/82/06/326078206.db2.gz VAKVBZVQPUWCJA-IBGZPJMESA-N 0 3 371.485 2.336 10 0 FEAEHN COc1cccc(C(C)(C)CNC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000120191764 326239217 /nfs/dbraw/zinc/23/92/17/326239217.db2.gz ZKPXOKHRTAUSHE-KRWDZBQOSA-N 0 3 363.502 2.119 10 0 FEAEHN C[C@@H](NC(=O)NC[C@@](C)(O)CN(C)C)c1ccccc1Br ZINC000120308439 326248240 /nfs/dbraw/zinc/24/82/40/326248240.db2.gz KIHBPXMNSMWYTG-IAQYHMDHSA-N 0 3 358.280 2.122 10 0 FEAEHN CC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(OC)cc2)CCN1C[C@@H](C)O ZINC000120763768 326286362 /nfs/dbraw/zinc/28/63/62/326286362.db2.gz BUOYTQNGSQCHJK-CRAIPNDOSA-N 0 3 358.486 2.362 10 0 FEAEHN CCOCCN1CCN(Cc2ccccc2N2CCOCC2)C[C@H]1CC ZINC000121010449 326306167 /nfs/dbraw/zinc/30/61/67/326306167.db2.gz RXIACZJWNMKPTL-HXUWFJFHSA-N 0 3 361.530 2.456 10 0 FEAEHN Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000121132256 326315873 /nfs/dbraw/zinc/31/58/73/326315873.db2.gz RLBUZZZUQASJDO-INIZCTEOSA-N 0 3 362.518 2.400 10 0 FEAEHN CC[C@H](C)[C@H](N)C(=O)NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000246049835 328586016 /nfs/dbraw/zinc/58/60/16/328586016.db2.gz XZJRWTBGRJVDHX-WHOFXGATSA-N 0 3 362.392 2.226 10 0 FEAEHN C[C@@H](NC(=O)NC[C@@](C)(O)CN(C)C)c1ccc(OC(F)(F)F)cc1 ZINC000121266720 326325836 /nfs/dbraw/zinc/32/58/36/326325836.db2.gz RPJIQLKVWNHTLQ-IAQYHMDHSA-N 0 3 363.380 2.258 10 0 FEAEHN C[C@@H](NC(=O)NC[C@@](C)(O)CN(C)C)c1cccc(Br)c1 ZINC000121510162 326344333 /nfs/dbraw/zinc/34/43/33/326344333.db2.gz UDZDXDPOWHSTMU-IAQYHMDHSA-N 0 3 358.280 2.122 10 0 FEAEHN Cc1cc(CN2CCCN(Cc3cnn(C)c3)CC2)ccc1-n1cncn1 ZINC000121544367 326346853 /nfs/dbraw/zinc/34/68/53/326346853.db2.gz GVZYQNFRGXYRKW-UHFFFAOYSA-N 0 3 365.485 2.017 10 0 FEAEHN Cc1ccc(-c2n[nH]cc2CN2CCCN(Cc3cnn(C)c3)CC2)o1 ZINC000121549034 326347326 /nfs/dbraw/zinc/34/73/26/326347326.db2.gz BGFPSLWSSYAACU-UHFFFAOYSA-N 0 3 354.458 2.420 10 0 FEAEHN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000121619902 326352836 /nfs/dbraw/zinc/35/28/36/326352836.db2.gz SDNJNKDUIDVQAA-OAHLLOKOSA-N 0 3 373.501 2.431 10 0 FEAEHN Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000121895335 326374623 /nfs/dbraw/zinc/37/46/23/326374623.db2.gz JBNTWNQBCJPBFB-DOTOQJQBSA-N 0 3 360.502 2.153 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000128243248 326520405 /nfs/dbraw/zinc/52/04/05/326520405.db2.gz SCEGPHXDSMPPOD-GFCCVEGCSA-N 0 3 360.380 2.131 10 0 FEAEHN CC(C)(C)OC[C@@H](O)CN1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000153788380 326742844 /nfs/dbraw/zinc/74/28/44/326742844.db2.gz XRBMIIQFJWVVRY-HNNXBMFYSA-N 0 3 350.459 2.219 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)NCCOc2cccc(Br)c2)C1 ZINC000170833033 327101258 /nfs/dbraw/zinc/10/12/58/327101258.db2.gz QGWNYUIZOBVBBN-CYBMUJFWSA-N 0 3 356.264 2.173 10 0 FEAEHN COc1ccc(CCNC(=O)N2CC[C@@H](N(C)C)C2)cc1OC(F)F ZINC000170836221 327101686 /nfs/dbraw/zinc/10/16/86/327101686.db2.gz CMTUDUHTSIWSNB-CYBMUJFWSA-N 0 3 357.401 2.185 10 0 FEAEHN CC(C)COc1ccc(NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)cc1Cl ZINC000170843157 327102176 /nfs/dbraw/zinc/10/21/76/327102176.db2.gz VKTPFIKIKGFNMB-CQSZACIVSA-N 0 3 367.877 2.476 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)COc2cccc(NC(=O)c3ccco3)c2)C1 ZINC000170866927 327103929 /nfs/dbraw/zinc/10/39/29/327103929.db2.gz ONLSLZLBQYRBEU-HNNXBMFYSA-N 0 3 357.410 2.073 10 0 FEAEHN O=C(Nc1cccc(C(=O)N2CCSCC2)c1)N1CCN2CCC[C@@H]2C1 ZINC000171892215 327167733 /nfs/dbraw/zinc/16/77/33/327167733.db2.gz JLHIMALWSWYEBW-QGZVFWFLSA-N 0 3 374.510 2.188 10 0 FEAEHN O=C(NCC(F)(F)F)c1ccc(NC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000171888767 327167785 /nfs/dbraw/zinc/16/77/85/327167785.db2.gz OYYDNEMOYYCEBO-CQSZACIVSA-N 0 3 370.375 2.291 10 0 FEAEHN COc1ccc(CNC(=O)N2CCN3CCC[C@H]3C2)cc1Br ZINC000171906462 327169430 /nfs/dbraw/zinc/16/94/30/327169430.db2.gz XVCPZEKBXAICNX-ZDUSSCGKSA-N 0 3 368.275 2.447 10 0 FEAEHN CN(C(=O)[C@@H]1COc2ccccc2C1)C1CCN(CCn2cccn2)CC1 ZINC000171934634 327171314 /nfs/dbraw/zinc/17/13/14/327171314.db2.gz DXSCFJXPGWPQDK-SFHVURJKSA-N 0 3 368.481 2.057 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)N[C@@H](c2nccs2)c2ccccc2)CCO1 ZINC000172133827 327182810 /nfs/dbraw/zinc/18/28/10/327182810.db2.gz RODWBPWABSTCIJ-JKSUJKDBSA-N 0 3 360.483 2.205 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)N[C@@H](c2nccs2)c2ccccc2)CCO1 ZINC000172133821 327182906 /nfs/dbraw/zinc/18/29/06/327182906.db2.gz RODWBPWABSTCIJ-HZPDHXFCSA-N 0 3 360.483 2.205 10 0 FEAEHN Cc1cnn(CCNC(=O)NC2CCN(CCc3ccccc3)CC2)c1 ZINC000172271902 327191909 /nfs/dbraw/zinc/19/19/09/327191909.db2.gz STSYBCLMHDTWOX-UHFFFAOYSA-N 0 3 355.486 2.198 10 0 FEAEHN CC1CCN(CCNC(=O)N2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000172354828 327197458 /nfs/dbraw/zinc/19/74/58/327197458.db2.gz NNERWZPAFPECRY-UHFFFAOYSA-N 0 3 371.485 2.391 10 0 FEAEHN C[C@H](NC(=O)[C@H](C)N1CCN(CC2CCOCC2)CC1)c1ccccc1 ZINC000172425644 327201141 /nfs/dbraw/zinc/20/11/41/327201141.db2.gz RBSPAZQTMAAQSA-ROUUACIJSA-N 0 3 359.514 2.297 10 0 FEAEHN Cc1cccc(OC[C@H](O)CN2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000172840703 327221889 /nfs/dbraw/zinc/22/18/89/327221889.db2.gz BBBDYIPPNKGYKK-GOSISDBHSA-N 0 3 356.470 2.045 10 0 FEAEHN C[C@@H](C(=O)N[C@H](CN(C)C)c1ccccc1)n1nnc(-c2ccccc2)n1 ZINC000173142962 327237444 /nfs/dbraw/zinc/23/74/44/327237444.db2.gz FAWAGYUASXBOLW-MAUKXSAKSA-N 0 3 364.453 2.320 10 0 FEAEHN CCc1nc([C@@H]2CN(C(=O)[C@H](c3ccccc3)N(CC)CC)CCO2)n[nH]1 ZINC000173553726 327265963 /nfs/dbraw/zinc/26/59/63/327265963.db2.gz XTGWDIXZYRKRMB-WMZOPIPTSA-N 0 3 371.485 2.350 10 0 FEAEHN CCc1nnc([C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](CC)CC)CCO2)[n-]1 ZINC000173553726 327265964 /nfs/dbraw/zinc/26/59/64/327265964.db2.gz XTGWDIXZYRKRMB-WMZOPIPTSA-N 0 3 371.485 2.350 10 0 FEAEHN CCc1nnc([C@@H]2CN(C(=O)[C@H](c3ccccc3)N(CC)CC)CCO2)[nH]1 ZINC000173553726 327265965 /nfs/dbraw/zinc/26/59/65/327265965.db2.gz XTGWDIXZYRKRMB-WMZOPIPTSA-N 0 3 371.485 2.350 10 0 FEAEHN CCc1nc([C@H]2CN(C(=O)[C@H](c3ccccc3)N(CC)CC)CCO2)n[nH]1 ZINC000173553737 327265972 /nfs/dbraw/zinc/26/59/72/327265972.db2.gz XTGWDIXZYRKRMB-AEFFLSMTSA-N 0 3 371.485 2.350 10 0 FEAEHN CCc1nnc([C@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](CC)CC)CCO2)[n-]1 ZINC000173553737 327265973 /nfs/dbraw/zinc/26/59/73/327265973.db2.gz XTGWDIXZYRKRMB-AEFFLSMTSA-N 0 3 371.485 2.350 10 0 FEAEHN CCc1nnc([C@H]2CN(C(=O)[C@H](c3ccccc3)N(CC)CC)CCO2)[nH]1 ZINC000173553737 327265974 /nfs/dbraw/zinc/26/59/74/327265974.db2.gz XTGWDIXZYRKRMB-AEFFLSMTSA-N 0 3 371.485 2.350 10 0 FEAEHN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000173600128 327269898 /nfs/dbraw/zinc/26/98/98/327269898.db2.gz WHKCNVUSJJLBRU-QZTJIDSGSA-N 0 3 351.466 2.365 10 0 FEAEHN CCN(CC)C(=O)[C@@H](C)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000173646336 327273371 /nfs/dbraw/zinc/27/33/71/327273371.db2.gz IXVOXROXYWRSJN-HZPDHXFCSA-N 0 3 353.532 2.276 10 0 FEAEHN CC(C)CNC(=O)[C@H](C)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000173647065 327273513 /nfs/dbraw/zinc/27/35/13/327273513.db2.gz DWCVAFGQRGAUMQ-JYJNAYRXSA-N 0 3 353.532 2.260 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000173727382 327279455 /nfs/dbraw/zinc/27/94/55/327279455.db2.gz IEVUHOGNBFBKKX-JKSUJKDBSA-N 0 3 365.499 2.201 10 0 FEAEHN C[C@@H](NC(C)(C)CNC(=O)N1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000173909733 327293744 /nfs/dbraw/zinc/29/37/44/327293744.db2.gz MWPBFLLZNRSPRK-MJGOQNOKSA-N 0 3 374.529 2.232 10 0 FEAEHN CNc1cc(N2CCC[C@H]2CN[C@@H](C)C(=O)N(C(C)C)C(C)C)ncn1 ZINC000174288940 327317360 /nfs/dbraw/zinc/31/73/60/327317360.db2.gz WWRCLUKERUYGIT-HOTGVXAUSA-N 0 3 362.522 2.111 10 0 FEAEHN Cc1ccc([C@@H](CN[C@H](C)C(=O)N(C)C(C)C)N2CCOCC2)s1 ZINC000175198165 327379479 /nfs/dbraw/zinc/37/94/79/327379479.db2.gz YWCQMHBDYCDFHW-HZPDHXFCSA-N 0 3 353.532 2.275 10 0 FEAEHN Cc1cc(NC(=O)CN2CCN3CCC[C@@H]3C2)ccc1Br ZINC000175205706 327379712 /nfs/dbraw/zinc/37/97/12/327379712.db2.gz RBZQMBGHVFBHGS-CQSZACIVSA-N 0 3 352.276 2.476 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)NC[C@H](O)CN2CCCCC2)C1(CC)CC ZINC000176670372 327469228 /nfs/dbraw/zinc/46/92/28/327469228.db2.gz STZNDFOZTKBGBO-YESZJQIVSA-N 0 3 355.523 2.116 10 0 FEAEHN CC[C@@H](CNC(=O)NC[C@H](O)CN1CCCCC1)Oc1cccc(C)c1 ZINC000176835421 327478912 /nfs/dbraw/zinc/47/89/12/327478912.db2.gz HGFVWXCHUUIHAM-ROUUACIJSA-N 0 3 363.502 2.298 10 0 FEAEHN O=C(NC1CCN(CCc2ccccc2)CC1)N[C@H]1CCCn2ncnc21 ZINC000177355139 327516314 /nfs/dbraw/zinc/51/63/14/327516314.db2.gz JJXGFHCQEBFRCZ-SFHVURJKSA-N 0 3 368.485 2.119 10 0 FEAEHN CCN(CC)C(=O)[C@H](C)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000246966091 328658647 /nfs/dbraw/zinc/65/86/47/328658647.db2.gz LNAGOOXYMUDFBX-HRCADAONSA-N 0 3 353.532 2.356 10 0 FEAEHN NC1(C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)CCOCC1 ZINC000261957084 328831653 /nfs/dbraw/zinc/83/16/53/328831653.db2.gz ZSUXMMRDXHDOQS-UHFFFAOYSA-N 0 3 352.434 2.413 10 0 FEAEHN COc1ccc(CN2CCO[C@H](CN(C)C)C2)c(Br)c1OC ZINC000155305036 545508717 /nfs/dbraw/zinc/50/87/17/545508717.db2.gz IBODJFSQCVWDQB-CYBMUJFWSA-N 0 3 373.291 2.229 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)C1 ZINC000158917030 545904901 /nfs/dbraw/zinc/90/49/01/545904901.db2.gz VFYSTVIAPYRQCL-NEWSRXKRSA-N 0 3 357.498 2.065 10 0 FEAEHN CN(C)[C@@H](CNC(=O)CN1CCCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000159157984 545927473 /nfs/dbraw/zinc/92/74/73/545927473.db2.gz IORVKENOZNOWKK-MOPGFXCFSA-N 0 3 355.486 2.356 10 0 FEAEHN Cc1ccc(O[C@H](C)C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000159193807 545930793 /nfs/dbraw/zinc/93/07/93/545930793.db2.gz KSDATJBXVOOCRZ-XLIONFOSSA-N 0 3 368.477 2.298 10 0 FEAEHN O=C(Cc1cc(F)ccc1F)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000159256877 545936722 /nfs/dbraw/zinc/93/67/22/545936722.db2.gz SOMLLCZMPBGUNK-SFHVURJKSA-N 0 3 360.404 2.043 10 0 FEAEHN CCOCCN1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H]1C ZINC000159343323 545944757 /nfs/dbraw/zinc/94/47/57/545944757.db2.gz IJMMUBRYOOVZNL-KRWDZBQOSA-N 0 3 353.551 2.314 10 0 FEAEHN CN(C(=O)C[C@H]1CSCCN1)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000170681319 546170135 /nfs/dbraw/zinc/17/01/35/546170135.db2.gz VIJPIRGUFSRUDJ-RDJZCZTQSA-N 0 3 360.458 2.259 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)NCCOc2ccc(Br)cc2)C1 ZINC000170834961 546179538 /nfs/dbraw/zinc/17/95/38/546179538.db2.gz RVUASAYEPOERDG-ZDUSSCGKSA-N 0 3 356.264 2.173 10 0 FEAEHN COc1ccc([C@H](C)CCNC(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000175640203 546326004 /nfs/dbraw/zinc/32/60/04/546326004.db2.gz VIKMQRADGQWVSP-AEFFLSMTSA-N 0 3 363.502 2.335 10 0 FEAEHN CN(C)[C@@H](Cc1ccccc1)C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000175672433 546331507 /nfs/dbraw/zinc/33/15/07/546331507.db2.gz OFUJPTPYMAMGMZ-NRFANRHFSA-N 0 3 366.509 2.335 10 0 FEAEHN Cc1cc(CCC(=O)N2CCO[C@H](CN(C)C)C2)ccc1Br ZINC000176093182 546405921 /nfs/dbraw/zinc/40/59/21/546405921.db2.gz RYHXAPAZWIWSIU-OAHLLOKOSA-N 0 3 369.303 2.479 10 0 FEAEHN C[C@@H](CNC(=O)NC[C@@H](O)CN1CCCCC1)Oc1cccc(Cl)c1 ZINC000176145716 546413574 /nfs/dbraw/zinc/41/35/74/546413574.db2.gz DKQHDICUYULTRU-GOEBONIOSA-N 0 3 369.893 2.253 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000176179106 546416801 /nfs/dbraw/zinc/41/68/01/546416801.db2.gz RNJFDYPVYCZLQZ-IBGZPJMESA-N 0 3 372.513 2.417 10 0 FEAEHN CCOc1ccc(NC(=O)CNC(=O)N(C)C[C@H]2CCCN2CC)cc1 ZINC000176272055 546426236 /nfs/dbraw/zinc/42/62/36/546426236.db2.gz XDEWKVYEYYPKIJ-MRXNPFEDSA-N 0 3 362.474 2.150 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCCCC(=O)N1CCc2ccccc21 ZINC000176352788 546435571 /nfs/dbraw/zinc/43/55/71/546435571.db2.gz QSFFHKPUDDPPCJ-SFHVURJKSA-N 0 3 372.513 2.482 10 0 FEAEHN CC(C)(CNC(=O)N[C@H]1CCCn2ncnc21)N1CCc2ccccc2C1 ZINC000176415176 546442635 /nfs/dbraw/zinc/44/26/35/546442635.db2.gz NSWSOSRHGWBBJK-KRWDZBQOSA-N 0 3 368.485 2.249 10 0 FEAEHN O=C(Nc1cccn(Cc2ccccc2)c1=O)N1CCN2CCC[C@@H]2C1 ZINC000176788818 546488013 /nfs/dbraw/zinc/48/80/13/546488013.db2.gz DZEMVXGHUGZBEV-QGZVFWFLSA-N 0 3 352.438 2.209 10 0 FEAEHN O=C(Nc1cccn(Cc2ccccc2)c1=O)N1CCN2CCC[C@H]2C1 ZINC000176788838 546488329 /nfs/dbraw/zinc/48/83/29/546488329.db2.gz DZEMVXGHUGZBEV-KRWDZBQOSA-N 0 3 352.438 2.209 10 0 FEAEHN CCc1nc2cc(NC(=O)C(=O)N(C)C[C@@H]3CCCN3CC)ccc2o1 ZINC000176897275 546502935 /nfs/dbraw/zinc/50/29/35/546502935.db2.gz GWFFXFGXSYSXKL-AWEZNQCLSA-N 0 3 358.442 2.271 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000177007777 546523220 /nfs/dbraw/zinc/52/32/20/546523220.db2.gz NEOBHKRPVWUPOU-MRXNPFEDSA-N 0 3 360.454 2.363 10 0 FEAEHN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N(C)C[C@@H]1CCCN1CC ZINC000177022745 546525234 /nfs/dbraw/zinc/52/52/34/546525234.db2.gz KQAAKWOFAOMJPL-RBUKOAKNSA-N 0 3 359.514 2.457 10 0 FEAEHN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CCN3CCC[C@@H]3C1)CC2 ZINC000177102083 546545335 /nfs/dbraw/zinc/54/53/35/546545335.db2.gz FSGFQTBZXHLCOZ-QWHCGFSZSA-N 0 3 368.403 2.215 10 0 FEAEHN C[C@H](N[C@@H]1Cc2ccccc2[C@@H]1O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177344219 546597461 /nfs/dbraw/zinc/59/74/61/546597461.db2.gz KHTYJMKVDATCBB-BKTGTZMESA-N 0 3 360.479 2.246 10 0 FEAEHN CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000177394669 546608412 /nfs/dbraw/zinc/60/84/12/546608412.db2.gz HOMWUEQTUKSZHX-LJQANCHMSA-N 0 3 372.513 2.164 10 0 FEAEHN O=C(Cc1cccc(I)c1)N1CCN2CCC[C@@H]2C1 ZINC000177549150 546641412 /nfs/dbraw/zinc/64/14/12/546641412.db2.gz ZDMAKABGIYLMJS-CQSZACIVSA-N 0 3 370.234 2.140 10 0 FEAEHN CN(C)C(=O)Nc1ccc(C(=O)N2CCN3CCC[C@H]3C2)c(Cl)c1 ZINC000178549777 546810687 /nfs/dbraw/zinc/81/06/87/546810687.db2.gz WUPSRXQWCDCKFH-ZDUSSCGKSA-N 0 3 350.850 2.354 10 0 FEAEHN COC(=O)C1CCC(C(=O)N(CCN(C)C)Cc2ccc(C)o2)CC1 ZINC000179483647 546963479 /nfs/dbraw/zinc/96/34/79/546963479.db2.gz NTNISPMXUQADNO-UHFFFAOYSA-N 0 3 350.459 2.458 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000181089554 547247310 /nfs/dbraw/zinc/24/73/10/547247310.db2.gz JIPIQPWKYVQAJN-LBPRGKRZSA-N 0 3 367.400 2.469 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2ccc(F)cc2OCC(F)F)CCO1 ZINC000181379413 547303576 /nfs/dbraw/zinc/30/35/76/547303576.db2.gz VDRBWHRCGKDTCO-LBPRGKRZSA-N 0 3 361.364 2.264 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)Cn1c(=O)cnc2ccccc21 ZINC000182097424 547437334 /nfs/dbraw/zinc/43/73/34/547437334.db2.gz QNOUASRGHSNBRG-INIZCTEOSA-N 0 3 364.449 2.033 10 0 FEAEHN CC[C@H]1CCCCN1C(=O)C(C)S(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000182390532 547484463 /nfs/dbraw/zinc/48/44/63/547484463.db2.gz GPBAIQZAXIHQBQ-KBPBESRZSA-N 0 3 370.519 2.033 10 0 FEAEHN COc1cc(CCNC(=O)CN[C@H](C)[C@@H]2CCCO2)ccc1OC(F)F ZINC000183171140 547614694 /nfs/dbraw/zinc/61/46/94/547614694.db2.gz LPJDBPCNRWVIFO-OCCSQVGLSA-N 0 3 372.412 2.112 10 0 FEAEHN CC(=O)N[C@H]1CCCN(C(=O)CN[C@H]2c3ccccc3CCC2(C)C)C1 ZINC000183217390 547622040 /nfs/dbraw/zinc/62/20/40/547622040.db2.gz LAZQTGBDNHKSOR-PXNSSMCTSA-N 0 3 357.498 2.417 10 0 FEAEHN O=C(CCN1C[C@H](O)C[C@@H]1CO)Nc1ccc(Oc2ccccc2)cc1 ZINC000184744777 547874353 /nfs/dbraw/zinc/87/43/53/547874353.db2.gz INIKEXBFLLBMOY-IAGOWNOFSA-N 0 3 356.422 2.235 10 0 FEAEHN CCCCOc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2CC)cn1 ZINC000184877332 547892489 /nfs/dbraw/zinc/89/24/89/547892489.db2.gz FLDOLBGRVMFNNB-INIZCTEOSA-N 0 3 362.474 2.142 10 0 FEAEHN CCCCOc1ccc(NC(=O)C(=O)N(C)C[C@H]2CCCN2CC)cn1 ZINC000184877353 547892562 /nfs/dbraw/zinc/89/25/62/547892562.db2.gz FLDOLBGRVMFNNB-MRXNPFEDSA-N 0 3 362.474 2.142 10 0 FEAEHN CCOCCN1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C[C@@H]1CC ZINC000185748857 548029405 /nfs/dbraw/zinc/02/94/05/548029405.db2.gz SGLALBQVHPXYML-KRWDZBQOSA-N 0 3 357.458 2.045 10 0 FEAEHN CC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000186332231 548120758 /nfs/dbraw/zinc/12/07/58/548120758.db2.gz LCSIEZIJXBMMDS-UXHICEINSA-N 0 3 372.513 2.207 10 0 FEAEHN COc1ccccc1C(=O)N[C@@H](C(=O)N(C)CCN(C)C1CC1)C(C)C ZINC000186706023 548177937 /nfs/dbraw/zinc/17/79/37/548177937.db2.gz KPMAAUHZLOYZRD-GOSISDBHSA-N 0 3 361.486 2.002 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)NCc2ccnc(C)n2)C1 ZINC000190699009 548333055 /nfs/dbraw/zinc/33/30/55/548333055.db2.gz GPVGBBAQPNBDFV-OAHLLOKOSA-N 0 3 374.514 2.213 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC000194169227 548444187 /nfs/dbraw/zinc/44/41/87/548444187.db2.gz RYNCUMBIOWOMTK-GOSISDBHSA-N 0 3 358.486 2.028 10 0 FEAEHN CCOc1ccccc1N1CCN(C(=O)N[C@H]2CCCN(CC)C2)CC1 ZINC000194174673 548445271 /nfs/dbraw/zinc/44/52/71/548445271.db2.gz FJYIDRRLAHMGQY-KRWDZBQOSA-N 0 3 360.502 2.401 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1nnn(Cc2ccc(F)cc2)c1C ZINC000194532682 548495338 /nfs/dbraw/zinc/49/53/38/548495338.db2.gz ORBDWYMVUJFCSA-QZTJIDSGSA-N 0 3 371.460 2.473 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(CC(=O)NCc2cccs2)C1 ZINC000195286668 548612488 /nfs/dbraw/zinc/61/24/88/548612488.db2.gz IBPXLCSFOLJBJW-QGZVFWFLSA-N 0 3 358.511 2.213 10 0 FEAEHN C[C@H](C(=O)Nc1nccs1)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195295649 548615037 /nfs/dbraw/zinc/61/50/37/548615037.db2.gz FWTHNLOJGYUWLU-GDBMZVCRSA-N 0 3 359.499 2.319 10 0 FEAEHN O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCN2CCC[C@@H]2C1 ZINC000195325153 548624136 /nfs/dbraw/zinc/62/41/36/548624136.db2.gz ADQILDHZZJEHKE-MRXNPFEDSA-N 0 3 354.454 2.351 10 0 FEAEHN CC(C)NC(=O)c1ccccc1NC(=O)CN1CCC(c2ccn[nH]2)CC1 ZINC000195507653 548651494 /nfs/dbraw/zinc/65/14/94/548651494.db2.gz RBLSHSOGQXEQIX-UHFFFAOYSA-N 0 3 369.469 2.366 10 0 FEAEHN O=C(CN1CCC(c2ccn[nH]2)CC1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000195507452 548652054 /nfs/dbraw/zinc/65/20/54/548652054.db2.gz PRLUHGAEMJGPPG-LJQANCHMSA-N 0 3 372.444 2.328 10 0 FEAEHN Cc1cccc(OCCNC(=O)[C@@H](C)N2CCC(c3ccn[nH]3)CC2)c1 ZINC000195505033 548652422 /nfs/dbraw/zinc/65/24/22/548652422.db2.gz UUNRRDTXCQHMPO-MRXNPFEDSA-N 0 3 356.470 2.481 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000245455817 548925202 /nfs/dbraw/zinc/92/52/02/548925202.db2.gz AYJVNJVGMCVPEU-JQHSSLGASA-N 0 3 358.486 2.306 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000245464433 548927115 /nfs/dbraw/zinc/92/71/15/548927115.db2.gz HVXKFZLLKCPYOQ-HOCLYGCPSA-N 0 3 362.449 2.057 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000245465809 548927869 /nfs/dbraw/zinc/92/78/69/548927869.db2.gz IUAZDCRJKWIUMZ-NVXWUHKLSA-N 0 3 363.502 2.125 10 0 FEAEHN CC(C)N(C)C(=O)[C@@H](C)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000245472595 548930886 /nfs/dbraw/zinc/93/08/86/548930886.db2.gz PDJHLOTZWOXORG-BZUAXINKSA-N 0 3 353.532 2.355 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000245544788 548943202 /nfs/dbraw/zinc/94/32/02/548943202.db2.gz BPSZEIBEDJORRG-LMMKCTJWSA-N 0 3 363.477 2.438 10 0 FEAEHN C[C@@H]1CN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C[C@H]1N1CCOCC1 ZINC000245736875 548984513 /nfs/dbraw/zinc/98/45/13/548984513.db2.gz FSOXWNXCUQGJKG-LSBZLQRGSA-N 0 3 363.889 2.486 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000245980041 549031066 /nfs/dbraw/zinc/03/10/66/549031066.db2.gz YCBANVIDIVANHF-CJNGLKHVSA-N 0 3 356.426 2.412 10 0 FEAEHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)N[C@H]2CCCN(CC)C2)C1 ZINC000246080127 549047702 /nfs/dbraw/zinc/04/77/02/549047702.db2.gz DJBQMWZTARVEOC-BBWFWOEESA-N 0 3 352.523 2.197 10 0 FEAEHN C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCN2CCC[C@H]2C1 ZINC000246209464 549079394 /nfs/dbraw/zinc/07/93/94/549079394.db2.gz AJXJJKUJUZFULS-CABCVRRESA-N 0 3 358.511 2.423 10 0 FEAEHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H](C(=O)NC)C(C)C ZINC000246226839 549083680 /nfs/dbraw/zinc/08/36/80/549083680.db2.gz QOKPVDATCBDXDK-RBUKOAKNSA-N 0 3 374.529 2.311 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000246559641 549161416 /nfs/dbraw/zinc/16/14/16/549161416.db2.gz KUOVGWVCYUVICB-UHIISALHSA-N 0 3 358.408 2.378 10 0 FEAEHN CC[C@H]1CN(Cc2ccn(-c3c(F)cccc3F)n2)CCN1C[C@H](C)O ZINC000246635017 549178525 /nfs/dbraw/zinc/17/85/25/549178525.db2.gz JFXQPJVTYZPSBA-HOCLYGCPSA-N 0 3 364.440 2.428 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)C1 ZINC000246705379 549192318 /nfs/dbraw/zinc/19/23/18/549192318.db2.gz IZJLFDGPYUEDBP-JKSUJKDBSA-N 0 3 352.523 2.055 10 0 FEAEHN CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000246727434 549197832 /nfs/dbraw/zinc/19/78/32/549197832.db2.gz GLYWUEMFLIZLDT-IAGOWNOFSA-N 0 3 365.543 2.454 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000246796536 549214030 /nfs/dbraw/zinc/21/40/30/549214030.db2.gz CXAVQELWCJDSQD-YZGWKJHDSA-N 0 3 371.525 2.313 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000246796515 549214775 /nfs/dbraw/zinc/21/47/75/549214775.db2.gz CXAVQELWCJDSQD-HOJAQTOUSA-N 0 3 371.525 2.313 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000246880255 549234304 /nfs/dbraw/zinc/23/43/04/549234304.db2.gz GPUWQVHSQKMIHL-JSGCOSHPSA-N 0 3 362.861 2.178 10 0 FEAEHN CN1C(=O)C[C@H](C(=O)N2CCN3CCC[C@H]3C2)[C@@H]1c1cccc(Cl)c1 ZINC000246914851 549242522 /nfs/dbraw/zinc/24/25/22/549242522.db2.gz VZAWFYFSMXDHKT-BQFCYCMXSA-N 0 3 361.873 2.166 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)NC[C@@H](O)CN2CCCCC2)C1(CC)CC ZINC000247138151 549290094 /nfs/dbraw/zinc/29/00/94/549290094.db2.gz STZNDFOZTKBGBO-IXDOHACOSA-N 0 3 355.523 2.116 10 0 FEAEHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H]2c2ccco2)CC1=O ZINC000247267165 549308532 /nfs/dbraw/zinc/30/85/32/549308532.db2.gz QYAIMAAEXDZLCX-ZACQAIPSSA-N 0 3 359.470 2.276 10 0 FEAEHN COCCN1CCN(C[C@@H](O)COc2cccc3ccccc32)C[C@H]1C ZINC000247591287 549363943 /nfs/dbraw/zinc/36/39/43/549363943.db2.gz JRFCNSRFRKADPS-IEBWSBKVSA-N 0 3 358.482 2.232 10 0 FEAEHN C[C@H](O)CN1CCN(C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C[C@@H]1C ZINC000247777494 549380203 /nfs/dbraw/zinc/38/02/03/549380203.db2.gz RBBSDAZRDKVQAX-JENIJYKNSA-N 0 3 364.530 2.111 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)COc2ccc3ccccc3c2)CCN1C[C@H](C)O ZINC000247880331 549389681 /nfs/dbraw/zinc/38/96/81/549389681.db2.gz ZFQVHAROSKKBBK-WMQCIHAUSA-N 0 3 372.509 2.357 10 0 FEAEHN CC(=O)Nc1ccc(OC[C@H](O)CN2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000248163118 549412887 /nfs/dbraw/zinc/41/28/87/549412887.db2.gz SLOABCGCXMPQDU-HQRMLTQVSA-N 0 3 362.470 2.012 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)C12CCOCC2 ZINC000248716735 549489009 /nfs/dbraw/zinc/48/90/09/549489009.db2.gz NUGNFAJYZPJFNH-ZJPYXAASSA-N 0 3 367.534 2.380 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(N2C[C@H](C)O[C@@H](C)C2)ccn1 ZINC000248751939 549495854 /nfs/dbraw/zinc/49/58/54/549495854.db2.gz HDZMSPZCRGFNAC-IMBTUZDBSA-N 0 3 372.513 2.394 10 0 FEAEHN COCCN(C)c1ccc(CN2CC[C@@H](CNc3ccccn3)C2)cn1 ZINC000248879821 549519919 /nfs/dbraw/zinc/51/99/19/549519919.db2.gz OXYMFKUXHPYNTI-SFHVURJKSA-N 0 3 355.486 2.493 10 0 FEAEHN CS(=O)(=O)N(CCN1CC[C@]2(O)CCCC[C@H]2C1)Cc1ccccc1 ZINC000248904640 549525960 /nfs/dbraw/zinc/52/59/60/549525960.db2.gz WGEIAMLQDDIVPY-RBUKOAKNSA-N 0 3 366.527 2.075 10 0 FEAEHN CS(=O)(=O)N(CCN1CC[C@@]2(O)CCCC[C@@H]2C1)Cc1ccccc1 ZINC000248904630 549526007 /nfs/dbraw/zinc/52/60/07/549526007.db2.gz WGEIAMLQDDIVPY-MOPGFXCFSA-N 0 3 366.527 2.075 10 0 FEAEHN O=C(NCCN1CCc2c(Cl)cccc2C1)N1CCN2CCC[C@H]2C1 ZINC000249093380 549549767 /nfs/dbraw/zinc/54/97/67/549549767.db2.gz NVRYLRIXXOOSDR-INIZCTEOSA-N 0 3 362.905 2.188 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C2CCCC2)nn1C ZINC000249134369 549558726 /nfs/dbraw/zinc/55/87/26/549558726.db2.gz DKXUYAPLTIPWES-CVEARBPZSA-N 0 3 373.501 2.101 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(OC)ccc1Cl ZINC000249244972 549571771 /nfs/dbraw/zinc/57/17/71/549571771.db2.gz XDVKCZMICOCCLR-OLZOCXBDSA-N 0 3 365.861 2.372 10 0 FEAEHN COc1cc(Cl)c(C)cc1NC(=O)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000249246123 549572557 /nfs/dbraw/zinc/57/25/57/549572557.db2.gz XHNNFNUUJMTDSH-CHWSQXEVSA-N 0 3 365.861 2.291 10 0 FEAEHN OC[C@@H]1CN(C[C@H](O)COCc2ccccc2F)C[C@H]1c1ccsc1 ZINC000249587225 549608118 /nfs/dbraw/zinc/60/81/18/549608118.db2.gz UFVQZGRYKMOKKR-BZSNNMDCSA-N 0 3 365.470 2.473 10 0 FEAEHN CC(C)(C)OC[C@@H](O)CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000249738411 549622249 /nfs/dbraw/zinc/62/22/49/549622249.db2.gz WZROFIKLRVGOPR-CVEARBPZSA-N 0 3 350.507 2.360 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)C1 ZINC000249764557 549627101 /nfs/dbraw/zinc/62/71/01/549627101.db2.gz NZVMRPPDYNJAED-IAGOWNOFSA-N 0 3 373.501 2.234 10 0 FEAEHN N[C@@H](C(=O)NCC1(c2ccc3c(c2)OCO3)CCCCC1)C1CCOCC1 ZINC000261720262 549746737 /nfs/dbraw/zinc/74/67/37/549746737.db2.gz JERZQRWJFYHQLP-LJQANCHMSA-N 0 3 374.481 2.487 10 0 FEAEHN N[C@H](C(=O)NCc1ccc(OCc2ccccn2)cc1)C1CCOCC1 ZINC000261831693 549760387 /nfs/dbraw/zinc/76/03/87/549760387.db2.gz QBBRXVGLHHJSJN-IBGZPJMESA-N 0 3 355.438 2.031 10 0 FEAEHN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)[C@H](N)C1CCOCC1 ZINC000261892617 549767187 /nfs/dbraw/zinc/76/71/87/549767187.db2.gz VRPQFHFDLUIJMC-GOSISDBHSA-N 0 3 356.470 2.366 10 0 FEAEHN NC1(C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)CCOCC1 ZINC000261949900 549772840 /nfs/dbraw/zinc/77/28/40/549772840.db2.gz YTVBLTCCMKGXLP-UHFFFAOYSA-N 0 3 371.412 2.202 10 0 FEAEHN NC1(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CCOCC1 ZINC000261957171 549773732 /nfs/dbraw/zinc/77/37/32/549773732.db2.gz ZUBLVGGZAYMNJF-AWEZNQCLSA-N 0 3 359.253 2.401 10 0 FEAEHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1CC(F)(F)CN1 ZINC000262998609 549869873 /nfs/dbraw/zinc/86/98/73/549869873.db2.gz OMIUSBWCVMEXOL-SJORKVTESA-N 0 3 351.441 2.354 10 0 FEAEHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1CC(F)(F)CN1 ZINC000262998607 549869976 /nfs/dbraw/zinc/86/99/76/549869976.db2.gz OMIUSBWCVMEXOL-IAGOWNOFSA-N 0 3 351.441 2.354 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2c[nH]cc2-c2ccc3c(c2)OCCO3)n1 ZINC000263207282 549885494 /nfs/dbraw/zinc/88/54/94/549885494.db2.gz JVZGECFAGYBGRA-HNNXBMFYSA-N 0 3 367.409 2.079 10 0 FEAEHN CC[N@H+](CC(=O)[O-])C1CC(NC2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000263533158 549907578 /nfs/dbraw/zinc/90/75/78/549907578.db2.gz XSNQSBZFBXPPBZ-UHFFFAOYSA-N 0 3 367.440 2.461 10 0 FEAEHN CC[N@@H+](CC(=O)[O-])C1CC(NC2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000263533158 549907579 /nfs/dbraw/zinc/90/75/79/549907579.db2.gz XSNQSBZFBXPPBZ-UHFFFAOYSA-N 0 3 367.440 2.461 10 0 FEAEHN CCN(CC(=O)[O-])C1CC([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000263533158 549907581 /nfs/dbraw/zinc/90/75/81/549907581.db2.gz XSNQSBZFBXPPBZ-UHFFFAOYSA-N 0 3 367.440 2.461 10 0 FEAEHN C[C@H]1CN(S(=O)(=O)c2ccc(Br)c(F)c2)C[C@H]1N(C)C ZINC000300404463 553617191 /nfs/dbraw/zinc/61/71/91/553617191.db2.gz AJGDQJGYLGCNLZ-TVQRCGJNSA-N 0 3 365.268 2.159 10 0 FEAEHN COc1cccc(-c2noc(N3CCC[C@H]3CN3CCC[C@H]3CO)n2)c1 ZINC000301717024 553674125 /nfs/dbraw/zinc/67/41/25/553674125.db2.gz KNZROURSOGLCCU-HOTGVXAUSA-N 0 3 358.442 2.171 10 0 FEAEHN COC[C@H](O)CN1CCC(Nc2ccc(Br)c(C)n2)CC1 ZINC000302117422 553704723 /nfs/dbraw/zinc/70/47/23/553704723.db2.gz CLOXNUYILHUSJJ-CYBMUJFWSA-N 0 3 358.280 2.036 10 0 FEAEHN COC(=O)CSc1cncc(N2CCN(C3CCC(C)CC3)CC2)n1 ZINC000302224129 553711898 /nfs/dbraw/zinc/71/18/98/553711898.db2.gz NYTQKJVKJWMBSA-UHFFFAOYSA-N 0 3 364.515 2.442 10 0 FEAEHN CN(Cc1nccc(N)n1)[C@@H]1CCCN(Cc2cccc(C(N)=O)c2)CC1 ZINC000328627898 553799089 /nfs/dbraw/zinc/79/90/89/553799089.db2.gz GSVCJYAZACTWQJ-QGZVFWFLSA-N 0 3 368.485 2.429 10 0 FEAEHN CC[C@@H]1CN(Cn2c(=O)sc3c2CC[C@H](CC)C3)CCN1CCOC ZINC000117323737 670914748 /nfs/dbraw/zinc/91/47/48/670914748.db2.gz MXCSSCZBFVNUFN-JKSUJKDBSA-N 0 3 367.559 2.425 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000153690746 672202963 /nfs/dbraw/zinc/20/29/63/672202963.db2.gz UWDFXFNTNPFIPB-XHDPSFHLSA-N 0 3 355.841 2.137 10 0 FEAEHN C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CCS1 ZINC000171695087 672334840 /nfs/dbraw/zinc/33/48/40/672334840.db2.gz MQNGUVTYPNOANN-LLVKDONJSA-N 0 3 367.540 2.492 10 0 FEAEHN CN(CC1CC1)C(=O)CN1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000186004561 672538779 /nfs/dbraw/zinc/53/87/79/672538779.db2.gz LDLRYWLQNUKYHL-HRCADAONSA-N 0 3 351.491 2.090 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000188893073 672601240 /nfs/dbraw/zinc/60/12/40/672601240.db2.gz UKWAQEGFFMYXBC-LSDHHAIUSA-N 0 3 354.495 2.169 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000236962776 672804905 /nfs/dbraw/zinc/80/49/05/672804905.db2.gz GETKMOOLARVFOR-YMTOWFKASA-N 0 3 356.264 2.186 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000245388157 672817871 /nfs/dbraw/zinc/81/78/71/672817871.db2.gz BWJVCNWGDDPYOO-LSDHHAIUSA-N 0 3 354.495 2.027 10 0 FEAEHN CC(C)CNC(=O)[C@H](C)N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248612557 672859065 /nfs/dbraw/zinc/85/90/65/672859065.db2.gz QSZDXNVYBZRYCF-YHUYYLMFSA-N 0 3 353.507 2.382 10 0 FEAEHN C[C@]1(O)CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)C1 ZINC000249162774 672867843 /nfs/dbraw/zinc/86/78/43/672867843.db2.gz ZNIWUINSQWDGMT-INMHGKMJSA-N 0 3 356.388 2.280 10 0 FEAEHN COc1ccc(CNC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(F)c1 ZINC000702848066 673060713 /nfs/dbraw/zinc/06/07/13/673060713.db2.gz WEIQZKUCUBPVTP-BBRMVZONSA-N 0 3 354.422 2.152 10 0 FEAEHN Cc1cc(CN2CC3(C2)C[C@H](COc2ncccc2F)CCN3C)no1 ZINC000306142063 210056690 /nfs/dbraw/zinc/05/66/90/210056690.db2.gz WOHQKDIDOFFJED-OAHLLOKOSA-N 0 3 360.433 2.492 10 0 FEAEHN O=C(NC1C[C@H]2CC[C@@H](C1)N2Cc1ccc2c(c1)OCO2)[C@@H]1CCCO1 ZINC000027698365 539815663 /nfs/dbraw/zinc/81/56/63/539815663.db2.gz VWIYGQBHSMAOHH-MMNRESRNSA-N 0 3 358.438 2.206 10 0 FEAEHN CCc1ccc([C@H](CNC(=O)[C@@H](C)NC(=O)c2ccco2)N(C)C)cc1 ZINC000032732815 539950076 /nfs/dbraw/zinc/95/00/76/539950076.db2.gz ZRGQOIYQNSWQBQ-PBHICJAKSA-N 0 3 357.454 2.379 10 0 FEAEHN CN(C)C[C@@H](NC(=O)NCc1cccnc1-n1ccnc1)c1ccccc1 ZINC000048216051 540351911 /nfs/dbraw/zinc/35/19/11/540351911.db2.gz MELBUAOBYRMREX-GOSISDBHSA-N 0 3 364.453 2.369 10 0 FEAEHN CN(C)C[C@H](NC(=O)NCc1nncn1-c1ccccc1)c1ccccc1 ZINC000048217235 540351988 /nfs/dbraw/zinc/35/19/88/540351988.db2.gz LLLYLUMAMRAZQV-SFHVURJKSA-N 0 3 364.453 2.369 10 0 FEAEHN O=C(NCCCSc1ccc(F)cc1)NC[C@H](O)CN1CCCCC1 ZINC000049172687 540383404 /nfs/dbraw/zinc/38/34/04/540383404.db2.gz REUYGUSAPGOSOW-INIZCTEOSA-N 0 3 369.506 2.454 10 0 FEAEHN COc1ccc([C@H](NC(=O)NC[C@@H](O)CN2CCCCC2)C2CC2)cc1 ZINC000049175792 540384074 /nfs/dbraw/zinc/38/40/74/540384074.db2.gz RPXJASIOOGZHBT-IEBWSBKVSA-N 0 3 361.486 2.292 10 0 FEAEHN C[C@@H]1CN(C[C@@H]2CCCN2C[C@H](O)COCc2ccccc2)C[C@H](C)O1 ZINC000066961116 541401713 /nfs/dbraw/zinc/40/17/13/541401713.db2.gz UHIDQBFNATWYTE-YHELAOLJSA-N 0 3 362.514 2.138 10 0 FEAEHN CN(C)Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)cc1 ZINC000073310368 541942979 /nfs/dbraw/zinc/94/29/79/541942979.db2.gz ZYVZQGKRPBZNSK-QGZVFWFLSA-N 0 3 358.463 2.397 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000247411595 549330070 /nfs/dbraw/zinc/33/00/70/549330070.db2.gz QDVKKGVIHFMXMS-OWCLPIDISA-N 0 3 361.511 2.438 10 0 FEAEHN NCc1cn(C[C@H]2CCCN(C(=O)NCc3ccc(Cl)cc3)C2)nn1 ZINC000023398164 211386787 /nfs/dbraw/zinc/38/67/87/211386787.db2.gz KNNFUXJSRCAZQX-AWEZNQCLSA-N 0 3 362.865 2.012 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000079053624 542496044 /nfs/dbraw/zinc/49/60/44/542496044.db2.gz FQJCUQAMJKIRFG-BBWFWOEESA-N 0 3 356.555 2.150 10 0 FEAEHN COc1ccc(-c2nc(N)nc3c2CN(C(=O)[C@@H](C)N2CCCC2)C3)cc1 ZINC000067785363 221284335 /nfs/dbraw/zinc/28/43/35/221284335.db2.gz XCHRBJARTLRKDK-CYBMUJFWSA-N 0 3 367.453 2.061 10 0 FEAEHN Cc1cc(CNC2CCN(c3nc(N(C)C)nc4c3CCCC4)CC2)on1 ZINC000095526215 132214513 /nfs/dbraw/zinc/21/45/13/132214513.db2.gz QZWRLLVKBSLJLH-UHFFFAOYSA-N 0 3 370.501 2.476 10 0 FEAEHN COCC(=O)N1CCc2nc[nH]c2C12CCN(Cc1ccccc1F)CC2 ZINC000091713060 542821418 /nfs/dbraw/zinc/82/14/18/542821418.db2.gz MLNOEJLWEPEAMT-UHFFFAOYSA-N 0 3 372.444 2.071 10 0 FEAEHN COc1ccc(C(=O)N2CC[C@](O)(c3ccccc3)[C@H](N(C)C)C2)cc1 ZINC000097942691 543017173 /nfs/dbraw/zinc/01/71/73/543017173.db2.gz QEVCWVIRICGRIQ-CTNGQTDRSA-N 0 3 354.450 2.359 10 0 FEAEHN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000101985258 543053715 /nfs/dbraw/zinc/05/37/15/543053715.db2.gz BLKUSWSSVWJDDG-RTBURBONSA-N 0 3 374.529 2.250 10 0 FEAEHN COCCN1CCN(CCC(=O)Nc2ccc(Cl)cc2F)C[C@@H]1C ZINC000106108314 543199678 /nfs/dbraw/zinc/19/96/78/543199678.db2.gz GJVJUEHMHDKATD-ZDUSSCGKSA-N 0 3 357.857 2.460 10 0 FEAEHN O=C(CCN1CCC(Nc2cccnn2)CC1)N1CCc2sccc2C1 ZINC000106080036 543191689 /nfs/dbraw/zinc/19/16/89/543191689.db2.gz XEIRVZBGKGMHQR-UHFFFAOYSA-N 0 3 371.510 2.389 10 0 FEAEHN C[C@@H](O)CN1CCN(CCC(=O)Nc2ccc(Cl)cc2F)C[C@H]1C ZINC000106099273 543195956 /nfs/dbraw/zinc/19/59/56/543195956.db2.gz ILKHPKJDVOLKJK-CHWSQXEVSA-N 0 3 357.857 2.195 10 0 FEAEHN C[C@@H](O)CN1CCN(Cc2cc3c(cc2Br)OCO3)C[C@H]1C ZINC000106100141 543196342 /nfs/dbraw/zinc/19/63/42/543196342.db2.gz APHGMPLSMBYGIU-VXGBXAGGSA-N 0 3 371.275 2.065 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)COc2c(C)ccc(C)c2C)CCN1C[C@@H](C)O ZINC000106101507 543197343 /nfs/dbraw/zinc/19/73/43/543197343.db2.gz WOZCTPBSDLQVEP-RLLQIKCJSA-N 0 3 364.530 2.129 10 0 FEAEHN Cn1cc(CN2CCCN(CCCOc3ccc4c(c3)OCO4)CC2)cn1 ZINC000106154630 543209466 /nfs/dbraw/zinc/20/94/66/543209466.db2.gz CMOHSPJWCMHZMG-UHFFFAOYSA-N 0 3 372.469 2.126 10 0 FEAEHN CC(C)n1nnnc1CN(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000106127124 543204717 /nfs/dbraw/zinc/20/47/17/543204717.db2.gz ZSUNIRKQHFKEMM-IBGZPJMESA-N 0 3 372.517 2.131 10 0 FEAEHN Cc1nn(C)c(C)c1[C@H]1CCCN1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000106208042 543217932 /nfs/dbraw/zinc/21/79/32/543217932.db2.gz HSZFGBLHKINAHK-QGZVFWFLSA-N 0 3 369.469 2.302 10 0 FEAEHN CN(CCNC(=O)N1CCO[C@H](c2nccs2)C1)Cc1ccccc1 ZINC000111837965 543418810 /nfs/dbraw/zinc/41/88/10/543418810.db2.gz HJGGJGOIOOBLEW-INIZCTEOSA-N 0 3 360.483 2.358 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000113226731 543477821 /nfs/dbraw/zinc/47/78/21/543477821.db2.gz QBZDKFKELWDCJN-GOEBONIOSA-N 0 3 358.438 2.116 10 0 FEAEHN Cc1ccc(CNC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)cc1 ZINC000114511572 543522172 /nfs/dbraw/zinc/52/21/72/543522172.db2.gz PCTWHIWRCBLDLV-UHFFFAOYSA-N 0 3 367.497 2.483 10 0 FEAEHN CCOCCN1CCN(C(=O)c2cccc(CN3CCCC3)c2)C[C@H]1C ZINC000117283511 543627790 /nfs/dbraw/zinc/62/77/90/543627790.db2.gz VTONGSTXYLNDPR-GOSISDBHSA-N 0 3 359.514 2.465 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)C1 ZINC000117458475 543632789 /nfs/dbraw/zinc/63/27/89/543632789.db2.gz RTAGTALPCGTHCC-OAHLLOKOSA-N 0 3 368.503 2.362 10 0 FEAEHN CCOCCN1CCN(C(=O)[C@@H](Cc2ccccc2)N(C)C)C[C@@H]1CC ZINC000116769252 543615060 /nfs/dbraw/zinc/61/50/60/543615060.db2.gz ZBIRJONUFVHEAE-VQTJNVASSA-N 0 3 361.530 2.119 10 0 FEAEHN CN1CCN(Cc2ccc(-n3cc4cc(F)cc(C(N)=O)c4n3)cc2)CC1 ZINC000118477263 543652251 /nfs/dbraw/zinc/65/22/51/543652251.db2.gz CWISFANUCRTMOR-UHFFFAOYSA-N 0 3 367.428 2.011 10 0 FEAEHN CC(C)CNC(=O)N1CCC[C@@H](C(=O)N[C@H](CN(C)C)c2ccccc2)C1 ZINC000124310718 543813328 /nfs/dbraw/zinc/81/33/28/543813328.db2.gz KYAGCEBQKWZRCR-RTBURBONSA-N 0 3 374.529 2.483 10 0 FEAEHN CCn1nnnc1-c1cccc(NC(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000124455788 543822749 /nfs/dbraw/zinc/82/27/49/543822749.db2.gz VHSJUFYDYMJSCN-XJKSGUPXSA-N 0 3 357.462 2.210 10 0 FEAEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)S(=O)(=O)CCCF ZINC000125720350 543897963 /nfs/dbraw/zinc/89/79/63/543897963.db2.gz HJESSOKHAZCZMK-SFHVURJKSA-N 0 3 372.506 2.053 10 0 FEAEHN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(CN2CCCC2)c1 ZINC000127221041 543978965 /nfs/dbraw/zinc/97/89/65/543978965.db2.gz TXDLZXHZDMAKFE-QGZVFWFLSA-N 0 3 369.469 2.285 10 0 FEAEHN Cc1coc(-c2ccc(C)c(NC(=O)C(=O)N3CC[C@@H](N(C)C)C3)c2)n1 ZINC000128857401 544077003 /nfs/dbraw/zinc/07/70/03/544077003.db2.gz WZPVTATXQYVOMB-OAHLLOKOSA-N 0 3 356.426 2.059 10 0 FEAEHN CN(C)C[C@](C)(O)CNC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000131369951 544187764 /nfs/dbraw/zinc/18/77/64/544187764.db2.gz ARRBHFNURBVUTL-VQIMIIECSA-N 0 3 361.486 2.435 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCCN1CCc2sccc2C1 ZINC000097216167 222168924 /nfs/dbraw/zinc/16/89/24/222168924.db2.gz MKOLMERCGBIPMM-MRXNPFEDSA-N 0 3 352.548 2.382 10 0 FEAEHN Cc1nc2ccccc2nc1CN1CCN(C)[C@]2(C1)CCC(=O)N(C)CC2 ZINC000107411066 222393854 /nfs/dbraw/zinc/39/38/54/222393854.db2.gz XNKJKQWAMVXOQR-OAQYLSRUSA-N 0 3 367.497 2.067 10 0 FEAEHN C[C@H]1CC[C@@H](C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)O1 ZINC000132865285 544246282 /nfs/dbraw/zinc/24/62/82/544246282.db2.gz FAULDJBVGSHITN-ICSRJNTNSA-N 0 3 359.514 2.268 10 0 FEAEHN Cc1cc(C[C@@H](C)NC(=O)N2CC[C@@H](N(C)C)C2)n(-c2ccccc2)n1 ZINC000132478438 544232691 /nfs/dbraw/zinc/23/26/91/544232691.db2.gz FXMQMCANPMANQX-CRAIPNDOSA-N 0 3 355.486 2.457 10 0 FEAEHN Cc1nc(COc2cccc(C(=O)N3C[C@H]4CCCN4C[C@@H]3C)c2)no1 ZINC000134727685 544319794 /nfs/dbraw/zinc/31/97/94/544319794.db2.gz FJJHUVKLHGVRBJ-XJKSGUPXSA-N 0 3 356.426 2.266 10 0 FEAEHN C[C@H](NC(=O)N1CCN2CCC[C@H]2C1)c1cccc(N2CCOC2=O)c1 ZINC000247501331 549346753 /nfs/dbraw/zinc/34/67/53/549346753.db2.gz NPWHJNNTRNIBMW-YOEHRIQHSA-N 0 3 358.442 2.194 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC000247508799 549347765 /nfs/dbraw/zinc/34/77/65/549347765.db2.gz YEYHFANPUANXSJ-IEBWSBKVSA-N 0 3 372.513 2.273 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCN(C3CCCCC3)CC1)CC2 ZINC000141532577 544413805 /nfs/dbraw/zinc/41/38/05/544413805.db2.gz OQYVVYHFYCJTOH-INIZCTEOSA-N 0 3 374.533 2.376 10 0 FEAEHN C[C@H](NC(=O)N[C@H](CN(C)C)c1ccccc1)c1nnc2n1CCCC2 ZINC000136579153 544374797 /nfs/dbraw/zinc/37/47/97/544374797.db2.gz YUTPKDCJUCKUJM-GOEBONIOSA-N 0 3 356.474 2.278 10 0 FEAEHN Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000150783970 544470216 /nfs/dbraw/zinc/47/02/16/544470216.db2.gz BPLLBKSVELZOEC-QFBILLFUSA-N 0 3 372.513 2.379 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)CSCC(=O)Nc2ccc(F)cc2)C1 ZINC000247515380 549348920 /nfs/dbraw/zinc/34/89/20/549348920.db2.gz YRYATXOWJWSXRN-CZUORRHYSA-N 0 3 367.490 2.342 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](N[C@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000151839554 544586172 /nfs/dbraw/zinc/58/61/72/544586172.db2.gz CNFHNBNPEXFDOH-ONERCXAPSA-N 0 3 372.282 2.433 10 0 FEAEHN CC(C)CSCCCN1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000152624228 544675393 /nfs/dbraw/zinc/67/53/93/544675393.db2.gz ASVRNXXEXAXPAF-LJQANCHMSA-N 0 3 357.608 2.493 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000153415556 544773947 /nfs/dbraw/zinc/77/39/47/544773947.db2.gz YFUJMCGWLTZXDL-RDJZCZTQSA-N 0 3 356.474 2.454 10 0 FEAEHN CC(=O)N[C@@H]1CCCN(Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000153890816 544836794 /nfs/dbraw/zinc/83/67/94/544836794.db2.gz QCIMJKMPJMAROQ-LJQANCHMSA-N 0 3 358.530 2.318 10 0 FEAEHN Cc1cccc(OC[C@@H](O)CN(C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000155047232 544981994 /nfs/dbraw/zinc/98/19/94/544981994.db2.gz XDUXLRCOLNNFES-MSOLQXFVSA-N 0 3 356.470 2.126 10 0 FEAEHN COCCN1CCN(C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C[C@H]1C ZINC000155089064 544987658 /nfs/dbraw/zinc/98/76/58/544987658.db2.gz XFNNYNADCLBUGP-GJYPPUQNSA-N 0 3 370.921 2.431 10 0 FEAEHN CN(C)C[C@@H]1CN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CCO1 ZINC000155261631 545006166 /nfs/dbraw/zinc/00/61/66/545006166.db2.gz CFPVAROELNGOLK-QGZVFWFLSA-N 0 3 358.461 2.263 10 0 FEAEHN CN(C(=O)C[C@](C)(O)c1ccccc1)C1CCN(CCn2cccn2)CC1 ZINC000182413908 327774593 /nfs/dbraw/zinc/77/45/93/327774593.db2.gz FGMHIBLRBXPGSA-NRFANRHFSA-N 0 3 370.497 2.104 10 0 FEAEHN CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N[C@@H](C)[C@@H]1CCCO1 ZINC000183131902 327803133 /nfs/dbraw/zinc/80/31/33/327803133.db2.gz KEWCNYSDMVZNPB-MPGHIAIKSA-N 0 3 361.486 2.192 10 0 FEAEHN CCN(C[C@H]1CCN(C(=O)N[C@@H]2CCCN(CC)C2)C1)CC(F)(F)F ZINC000188480312 328089826 /nfs/dbraw/zinc/08/98/26/328089826.db2.gz YYRALWMXBWRQDJ-HUUCEWRRSA-N 0 3 364.456 2.386 10 0 FEAEHN Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[NH2+][C@@H]2C)sc1Br ZINC000189321317 328140884 /nfs/dbraw/zinc/14/08/84/328140884.db2.gz BXQLSSYCKGGARW-RKDXNWHRSA-N 0 3 353.307 2.238 10 0 FEAEHN Cc1ccc(-n2cc(NC(=O)NC[C@@H](O)CN3CCCCC3)cn2)c(C)c1 ZINC000189665773 328160990 /nfs/dbraw/zinc/16/09/90/328160990.db2.gz BOAMNHXFGFNMOJ-GOSISDBHSA-N 0 3 371.485 2.457 10 0 FEAEHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H](C)c1cccs1 ZINC000189829512 328170226 /nfs/dbraw/zinc/17/02/26/328170226.db2.gz JMHJNWXMUZFODR-NSHDSACASA-N 0 3 356.517 2.163 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(COCC2CC2)c1 ZINC000190092818 328187626 /nfs/dbraw/zinc/18/76/26/328187626.db2.gz VVPRNBPIHJWOBO-HNAYVOBHSA-N 0 3 371.481 2.247 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000190170486 328192396 /nfs/dbraw/zinc/19/23/96/328192396.db2.gz CRKGGVIJVYNWMP-QWHCGFSZSA-N 0 3 372.512 2.090 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(F)c(OC)cc1C ZINC000190337936 328201025 /nfs/dbraw/zinc/20/10/25/328201025.db2.gz ZJNHOYDNNPNYSC-ZIAGYGMSSA-N 0 3 363.433 2.166 10 0 FEAEHN CC(C)c1c(NC(=O)C(=O)N2CC[C@H](N(C)C)C2)cnn1-c1ccccc1 ZINC000190389986 328204947 /nfs/dbraw/zinc/20/49/47/328204947.db2.gz KVDHIVRBINIFLW-INIZCTEOSA-N 0 3 369.469 2.097 10 0 FEAEHN CCn1cc([C@@H]2CN(C(=O)NCC(C)(C)N3CCCCC3)CCO2)cn1 ZINC000190463732 328209297 /nfs/dbraw/zinc/20/92/97/328209297.db2.gz GQMZQTXGVRSLHK-KRWDZBQOSA-N 0 3 363.506 2.250 10 0 FEAEHN CC[C@H](C)NC(=O)[C@H](C)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190517027 328213149 /nfs/dbraw/zinc/21/31/49/328213149.db2.gz ZXSFAQDDVRMPFK-ULQDDVLXSA-N 0 3 369.550 2.418 10 0 FEAEHN CC(C)[C@@H](C)NC(=O)CN1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190510452 328212687 /nfs/dbraw/zinc/21/26/87/328212687.db2.gz DGOPRZMNODPBIR-SJORKVTESA-N 0 3 369.550 2.275 10 0 FEAEHN CCN(CC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1)C1CC1 ZINC000190557398 328216157 /nfs/dbraw/zinc/21/61/57/328216157.db2.gz PZGWTIMTTHMMMU-OAHLLOKOSA-N 0 3 350.532 2.216 10 0 FEAEHN CN(C)c1ccncc1C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190647075 328221570 /nfs/dbraw/zinc/22/15/70/328221570.db2.gz AZKCSGRHJDGSJG-KRWDZBQOSA-N 0 3 353.470 2.137 10 0 FEAEHN CC(C)[C@@H](C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1)N1CCCC1=O ZINC000190616574 328219718 /nfs/dbraw/zinc/21/97/18/328219718.db2.gz KRRODLBZKROPPH-QUCCMNQESA-N 0 3 372.513 2.009 10 0 FEAEHN Cc1ccc(-n2cccn2)cc1NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000191248317 328256147 /nfs/dbraw/zinc/25/61/47/328256147.db2.gz SXPICSCFEOCSGH-QGZVFWFLSA-N 0 3 357.458 2.149 10 0 FEAEHN CC(C)N(C)c1ccc(CN2CCCN(Cc3cnn(C)c3)CC2)cn1 ZINC000191340012 328261095 /nfs/dbraw/zinc/26/10/95/328261095.db2.gz JKROZSAZILPQCC-UHFFFAOYSA-N 0 3 356.518 2.368 10 0 FEAEHN CC(C)N1CCN(CCCN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000191592521 328272983 /nfs/dbraw/zinc/27/29/83/328272983.db2.gz DCARWOVWYPFSHK-YLJYHZDGSA-N 0 3 367.484 2.489 10 0 FEAEHN Cc1cc([N-]C(=O)C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)on1 ZINC000191905306 328287946 /nfs/dbraw/zinc/28/79/46/328287946.db2.gz JCYGNHXSPYVAMA-CHWSQXEVSA-N 0 3 352.435 2.205 10 0 FEAEHN Cc1cc(NC(=O)CN[C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)on1 ZINC000191905306 328287947 /nfs/dbraw/zinc/28/79/47/328287947.db2.gz JCYGNHXSPYVAMA-CHWSQXEVSA-N 0 3 352.435 2.205 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2cncc(Cl)n2)C1 ZINC000192386161 328317085 /nfs/dbraw/zinc/31/70/85/328317085.db2.gz WUCXJZIUHBEXSX-GFCCVEGCSA-N 0 3 365.890 2.489 10 0 FEAEHN CCOC(=O)c1oc2c(c1C)[C@H](NC[C@@H](C)N1CCOCC1)CCC2 ZINC000192634856 328329928 /nfs/dbraw/zinc/32/99/28/328329928.db2.gz MQJJKXLMYDEMSE-UKRRQHHQSA-N 0 3 350.459 2.452 10 0 FEAEHN CCCCOC[C@H](O)CN1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000193374407 328371421 /nfs/dbraw/zinc/37/14/21/328371421.db2.gz BGVMFJINSIJUKD-LJQANCHMSA-N 0 3 360.498 2.465 10 0 FEAEHN Cc1ccc([C@H](C)NS(=O)(=O)c2c(C)nn(CCN(C)C)c2C)o1 ZINC000195333196 328472631 /nfs/dbraw/zinc/47/26/31/328472631.db2.gz NATKBYKAPAFIFE-LBPRGKRZSA-N 0 3 354.476 2.002 10 0 FEAEHN CC(C)N(CCNC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21)C(C)C ZINC000047683966 324641989 /nfs/dbraw/zinc/64/19/89/324641989.db2.gz FBSFCLWSDFDXAA-MRXNPFEDSA-N 0 3 367.515 2.323 10 0 FEAEHN CN(C)c1c(Cl)cccc1NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000048739533 324672024 /nfs/dbraw/zinc/67/20/24/324672024.db2.gz ONFBGQAVESGTCT-CYBMUJFWSA-N 0 3 354.882 2.374 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)NC[C@H](C)N1CCOCC1)c1ccsc1 ZINC000077792921 325016496 /nfs/dbraw/zinc/01/64/96/325016496.db2.gz CEIPSJGAJCFPMF-RDJZCZTQSA-N 0 3 368.547 2.151 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)NC[C@@H](C)N1CCOCC1)c1ccsc1 ZINC000077792916 325016597 /nfs/dbraw/zinc/01/65/97/325016597.db2.gz CEIPSJGAJCFPMF-WBVHZDCISA-N 0 3 368.547 2.151 10 0 FEAEHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000079217924 325081973 /nfs/dbraw/zinc/08/19/73/325081973.db2.gz HOYQFHACBZCRKW-PXNSSMCTSA-N 0 3 374.529 2.191 10 0 FEAEHN CN1C(=O)C[C@@H](C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)[C@H]1c1ccc(F)cc1 ZINC000090126167 325354496 /nfs/dbraw/zinc/35/44/96/325354496.db2.gz GGZMZEILHNDYJI-DLVXIWMQSA-N 0 3 373.472 2.288 10 0 FEAEHN Cc1cc(CN2CCC(N(C)c3cccnn3)CC2)ccc1-n1cncn1 ZINC000093272431 325440331 /nfs/dbraw/zinc/44/03/31/325440331.db2.gz SHJVUIMLVUHVRB-UHFFFAOYSA-N 0 3 363.469 2.467 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCC(=O)Nc1cccc2cccnc21 ZINC000101793866 325481480 /nfs/dbraw/zinc/48/14/80/325481480.db2.gz CZFIKMDYUXQVFM-MRXNPFEDSA-N 0 3 371.485 2.449 10 0 FEAEHN COc1ccc(OCc2ccccn2)c(CN[C@H]2CCc3ncnn3C2)c1 ZINC000109072596 325658491 /nfs/dbraw/zinc/65/84/91/325658491.db2.gz ASRZDUOOKZDKPL-INIZCTEOSA-N 0 3 365.437 2.365 10 0 FEAEHN CN(C)CCOc1ccccc1C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000109637026 325671475 /nfs/dbraw/zinc/67/14/75/325671475.db2.gz HEAHHRNBJSVYBI-UHFFFAOYSA-N 0 3 369.469 2.134 10 0 FEAEHN CN(C)[C@@H](CNc1cc(N2CCC[C@@H]2CO)ncn1)c1ccc(F)cc1 ZINC000110249092 325685628 /nfs/dbraw/zinc/68/56/28/325685628.db2.gz QTOZSUQQDQYRAG-SJORKVTESA-N 0 3 359.449 2.292 10 0 FEAEHN CCc1noc([C@H](C)N2CCN(C(=O)c3ccc(CN(C)C)cc3)CC2)n1 ZINC000112035611 325751209 /nfs/dbraw/zinc/75/12/09/325751209.db2.gz HXBWLQATWCPBAH-HNNXBMFYSA-N 0 3 371.485 2.213 10 0 FEAEHN Cc1ccccc1[C@H](C)N[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000112516115 325788480 /nfs/dbraw/zinc/78/84/80/325788480.db2.gz AUVHPSKVMLXBOK-IRXDYDNUSA-N 0 3 353.470 2.173 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@@H](C)C(=O)N(C)Cc1cccc(F)c1)CC2 ZINC000112551989 325790574 /nfs/dbraw/zinc/79/05/74/325790574.db2.gz NUAPTSHRLWAGDT-WMLDXEAASA-N 0 3 373.476 2.492 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)c3cnn(C(C)(C)C)c3)CC2)nc1 ZINC000114413763 325890233 /nfs/dbraw/zinc/89/02/33/325890233.db2.gz XNFFZJZDYAYKMF-UHFFFAOYSA-N 0 3 370.501 2.057 10 0 FEAEHN Cc1ccccc1-n1nc(C(=O)N2CCO[C@H](CN(C)C)C2)c2c1CCC2 ZINC000116784867 326035371 /nfs/dbraw/zinc/03/53/71/326035371.db2.gz ISKRVSBNTYMNRT-MRXNPFEDSA-N 0 3 368.481 2.072 10 0 FEAEHN CCCOc1ccc(C(=O)N2CCO[C@@H](CN(C)C)C2)cc1OCC ZINC000116788114 326035767 /nfs/dbraw/zinc/03/57/67/326035767.db2.gz WUSNBUJWQNMBKP-INIZCTEOSA-N 0 3 350.459 2.277 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)c1ccsc1 ZINC000117031416 326048643 /nfs/dbraw/zinc/04/86/43/326048643.db2.gz LLEZZVMIWSWRFR-IRXDYDNUSA-N 0 3 368.547 2.103 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NCc2cc(F)ccc2Br)CCO1 ZINC000117036573 326048649 /nfs/dbraw/zinc/04/86/49/326048649.db2.gz CNCFHUXIACEWNC-CYBMUJFWSA-N 0 3 374.254 2.060 10 0 FEAEHN CCC[C@H](C(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1)N(C)C ZINC000119412586 326158866 /nfs/dbraw/zinc/15/88/66/326158866.db2.gz CXJJRRXWUUTGOL-DZGCQCFKSA-N 0 3 362.392 2.292 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N(C)Cc2cc(Br)cn2C)C1 ZINC000119730660 326192650 /nfs/dbraw/zinc/19/26/50/326192650.db2.gz XIQKOXHGOUJNIQ-CYBMUJFWSA-N 0 3 357.296 2.413 10 0 FEAEHN C[C@@H](O)CN1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)C[C@@H]1C ZINC000120593581 326271199 /nfs/dbraw/zinc/27/11/99/326271199.db2.gz OVGFTFWCBZMTDY-QWHCGFSZSA-N 0 3 350.413 2.242 10 0 FEAEHN CC[C@@H]1CN(Cc2cc(OC)c3c(c2)OCCO3)CCN1CCOC ZINC000120928154 326299777 /nfs/dbraw/zinc/29/97/77/326299777.db2.gz CAEPDERWMQZMBS-MRXNPFEDSA-N 0 3 350.459 2.009 10 0 FEAEHN O=C(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)C1(O)CCCCC1 ZINC000128998356 326533085 /nfs/dbraw/zinc/53/30/85/326533085.db2.gz YZUFZVAAIIZGSK-LJQANCHMSA-N 0 3 360.498 2.243 10 0 FEAEHN Cc1ccn(-c2ccccc2NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C)n1 ZINC000131389751 326573939 /nfs/dbraw/zinc/57/39/39/326573939.db2.gz COGLMVPLBRVLLJ-INIZCTEOSA-N 0 3 371.485 2.212 10 0 FEAEHN C[C@@H](NC(=O)N[C@H](CN(C)C)c1ccccc1)c1nnc2n1CCCC2 ZINC000136579202 326653579 /nfs/dbraw/zinc/65/35/79/326653579.db2.gz YUTPKDCJUCKUJM-GDBMZVCRSA-N 0 3 356.474 2.278 10 0 FEAEHN CN(C)C[C@H]1CN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CCO1 ZINC000155283701 326783369 /nfs/dbraw/zinc/78/33/69/326783369.db2.gz MCMXARBMLGDSBT-ROUUACIJSA-N 0 3 367.493 2.418 10 0 FEAEHN C[C@H](OC[C@H](O)CN1CCO[C@H](CN(C)C)C1)c1ccc(Cl)cc1 ZINC000155285735 326783423 /nfs/dbraw/zinc/78/34/23/326783423.db2.gz SSRFYXJVBVHEQE-BMGDILEWSA-N 0 3 356.894 2.041 10 0 FEAEHN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCO[C@H](CN(C)C)C1 ZINC000155302794 326784008 /nfs/dbraw/zinc/78/40/08/326784008.db2.gz GCALCYRDBYKROK-CHWSQXEVSA-N 0 3 359.392 2.295 10 0 FEAEHN Cc1c(NC(=O)NC[C@H](O)CN2CCCCC2)cnn1-c1ccccc1 ZINC000156886391 326847013 /nfs/dbraw/zinc/84/70/13/326847013.db2.gz VMEBVYVGZGLMAG-KRWDZBQOSA-N 0 3 357.458 2.149 10 0 FEAEHN CC(C)[C@@H](O)CC(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000162051772 327015798 /nfs/dbraw/zinc/01/57/98/327015798.db2.gz PWMOALKTJILIKU-VQTJNVASSA-N 0 3 362.514 2.297 10 0 FEAEHN CCC[C@@H](C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1)N(C)C ZINC000162409999 327025074 /nfs/dbraw/zinc/02/50/74/327025074.db2.gz AZAHFHCQRYRGAA-SFHVURJKSA-N 0 3 363.477 2.159 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000170694209 327094588 /nfs/dbraw/zinc/09/45/88/327094588.db2.gz HKCARZNJJCEHGP-FHWLQOOXSA-N 0 3 361.486 2.053 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)C1 ZINC000170832969 327101451 /nfs/dbraw/zinc/10/14/51/327101451.db2.gz SOZJOYYSXBRTGN-SFHVURJKSA-N 0 3 367.453 2.179 10 0 FEAEHN COc1cccc([C@@H](CNC(=O)N2CC[C@H](N(C)C)C2)N2CCCC2)c1 ZINC000170863284 327103757 /nfs/dbraw/zinc/10/37/57/327103757.db2.gz OJJZZZTWZBPQKI-PKOBYXMFSA-N 0 3 360.502 2.178 10 0 FEAEHN CCc1ccccc1-n1cnnc1SCC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170867942 327104201 /nfs/dbraw/zinc/10/42/01/327104201.db2.gz VZXMTFGQIVPLJZ-OAHLLOKOSA-N 0 3 359.499 2.084 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCCN(Cc2cscn2)CC1 ZINC000171310448 327131521 /nfs/dbraw/zinc/13/15/21/327131521.db2.gz MCXASUKHEDWHFW-MRXNPFEDSA-N 0 3 367.563 2.337 10 0 FEAEHN Cc1cccc(NC[C@@H]2CCN(CCNS(=O)(=O)c3ccccc3)C2)n1 ZINC000171648787 327151692 /nfs/dbraw/zinc/15/16/92/327151692.db2.gz RVGCOIGZUNRGLS-KRWDZBQOSA-N 0 3 374.510 2.102 10 0 FEAEHN COc1ccc(CNC(=O)CN2CC[C@H](CNc3cccc(C)n3)C2)cc1 ZINC000171652995 327152240 /nfs/dbraw/zinc/15/22/40/327152240.db2.gz BMQRMJGTVBEDOZ-GOSISDBHSA-N 0 3 368.481 2.449 10 0 FEAEHN C[C@H](NC(=O)N1CCO[C@H](CN(C)C)C1)c1ccc(Br)cc1 ZINC000172115381 327181735 /nfs/dbraw/zinc/18/17/35/327181735.db2.gz PJDSROJOFIGMSA-SWLSCSKDSA-N 0 3 370.291 2.482 10 0 FEAEHN Cc1nc(C)n(C[C@H]2CCCN(CCn3cnc4ccccc4c3=O)C2)n1 ZINC000172247874 327190004 /nfs/dbraw/zinc/19/00/04/327190004.db2.gz TVGXRMXIYJKHIW-KRWDZBQOSA-N 0 3 366.469 2.017 10 0 FEAEHN CCCS(=O)(=O)Nc1ccc(NC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000172574717 327209202 /nfs/dbraw/zinc/20/92/02/327209202.db2.gz OJKBOIIRAGBBAI-MRXNPFEDSA-N 0 3 366.487 2.150 10 0 FEAEHN Cc1ccccc1CN1CCC(NC(=O)CN2[C@H](C)COC[C@@H]2C)CC1 ZINC000172667376 327214027 /nfs/dbraw/zinc/21/40/27/327214027.db2.gz JUJSJONSAPUSPN-HDICACEKSA-N 0 3 359.514 2.185 10 0 FEAEHN CC(C)c1csc([C@@H]2CCCN(Cc3cc(=O)n(C)c(=O)n3C)C2)n1 ZINC000172924121 327226143 /nfs/dbraw/zinc/22/61/43/327226143.db2.gz GDYNWMSLMDQGRJ-CYBMUJFWSA-N 0 3 362.499 2.044 10 0 FEAEHN CCCCNC(=O)[C@H](C)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000173647125 327273712 /nfs/dbraw/zinc/27/37/12/327273712.db2.gz PBFWVWHZBFKJPA-OWCLPIDISA-N 0 3 353.532 2.404 10 0 FEAEHN CN(C)c1cc(CNC(=O)N2CCN3CCC[C@H]3C2)c2ccccc2n1 ZINC000173660363 327274590 /nfs/dbraw/zinc/27/45/90/327274590.db2.gz BNMSWGAWPILSPW-INIZCTEOSA-N 0 3 353.470 2.290 10 0 FEAEHN O=C(NCc1ccncc1)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000174018642 327301862 /nfs/dbraw/zinc/30/18/62/327301862.db2.gz NOYRPLBZDBCCBE-HXUWFJFHSA-N 0 3 368.481 2.326 10 0 FEAEHN Cc1nn(C)c(C)c1C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000174850062 327354913 /nfs/dbraw/zinc/35/49/13/327354913.db2.gz ZYQPVMWOOUXAJO-LJQANCHMSA-N 0 3 370.497 2.212 10 0 FEAEHN CCNC(=O)N1CCc2ccc(NC(=O)N[C@@H]3CCCN(CC)C3)cc21 ZINC000174858503 327355739 /nfs/dbraw/zinc/35/57/39/327355739.db2.gz IVKZMKZBJJJZLD-MRXNPFEDSA-N 0 3 359.474 2.384 10 0 FEAEHN COC[C@H](C)CNC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000175099189 327373980 /nfs/dbraw/zinc/37/39/80/327373980.db2.gz XZMGPGWTVLXNMP-APWZRJJASA-N 0 3 363.502 2.014 10 0 FEAEHN CC[C@H](COC)NC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000175178631 327378294 /nfs/dbraw/zinc/37/82/94/327378294.db2.gz FOZYAOGGRMBQEL-RTBURBONSA-N 0 3 363.502 2.156 10 0 FEAEHN CC(C)N1CC[C@@H](NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)C1=O ZINC000175198205 327379607 /nfs/dbraw/zinc/37/96/07/327379607.db2.gz PQGNUWXEFRHZHP-OAGGEKHMSA-N 0 3 351.516 2.109 10 0 FEAEHN CCc1cc(N2CCC(NC(=O)N(C)C[C@@H]3CCCN3CC)CC2)ncn1 ZINC000175470177 327394544 /nfs/dbraw/zinc/39/45/44/327394544.db2.gz UFBDHMRWJNBNRM-SFHVURJKSA-N 0 3 374.533 2.134 10 0 FEAEHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1COc2ccccc21 ZINC000176070336 327432016 /nfs/dbraw/zinc/43/20/16/327432016.db2.gz HDMPPJFXQKEXDA-QGZVFWFLSA-N 0 3 353.422 2.245 10 0 FEAEHN C[C@H](NC(=O)[C@H](C)N1CCO[C@@H](CN(C)C)C1)c1ccc(Cl)cc1 ZINC000246288196 328605580 /nfs/dbraw/zinc/60/55/80/328605580.db2.gz IHDCBZHEPAAQLP-ZQIUZPCESA-N 0 3 353.894 2.168 10 0 FEAEHN CC(C)Cc1ccc([C@@H](C)NC(=O)CN2CCO[C@@H](CN(C)C)C2)cc1 ZINC000246591216 328630419 /nfs/dbraw/zinc/63/04/19/328630419.db2.gz SYBAKMRQAVRBMV-XLIONFOSSA-N 0 3 361.530 2.325 10 0 FEAEHN Cc1c([C@@H](C)NC(=O)[C@H](N)C2CCOCC2)cnn1-c1ccc(F)cc1 ZINC000261676181 328810798 /nfs/dbraw/zinc/81/07/98/328810798.db2.gz GQKGYAKQDZVVGG-KZULUSFZSA-N 0 3 360.433 2.251 10 0 FEAEHN COc1cc([C@H](C)NC(=O)[C@@H](N)C2CCOCC2)ccc1OC(C)C ZINC000261768152 328818353 /nfs/dbraw/zinc/81/83/53/328818353.db2.gz MEWWOYBDQRWQSB-UGSOOPFHSA-N 0 3 350.459 2.414 10 0 FEAEHN C[C@H](c1ccccc1Cl)N1CCN(C(=O)[C@H](N)C2CCOCC2)CC1 ZINC000262048170 328838124 /nfs/dbraw/zinc/83/81/24/328838124.db2.gz QTJQQROTZYRGAV-RDTXWAMCSA-N 0 3 365.905 2.299 10 0 FEAEHN CCn1cc(CN2CCCN(C(=O)c3cccc(CN(C)C)c3)CC2)cn1 ZINC000156270658 545613183 /nfs/dbraw/zinc/61/31/83/545613183.db2.gz TWTQRVYIJJRLAW-UHFFFAOYSA-N 0 3 369.513 2.313 10 0 FEAEHN COc1ccc(Cn2cc(C(=O)N[C@H]3CN(C(C)C)C[C@@H]3C)cn2)cc1 ZINC000159109786 545922713 /nfs/dbraw/zinc/92/27/13/545922713.db2.gz XLOKSKQPCPPLMM-KXBFYZLASA-N 0 3 356.470 2.399 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1C(=O)NCCN1CCc2ccccc2C1 ZINC000175774904 546347392 /nfs/dbraw/zinc/34/73/92/546347392.db2.gz FSVSGUOVZWWEFY-FQEVSTJZSA-N 0 3 367.497 2.424 10 0 FEAEHN CCC(CC)c1cc(CNC(=O)NC[C@@H](O)CN2CCCCC2)on1 ZINC000175903661 546368778 /nfs/dbraw/zinc/36/87/78/546368778.db2.gz DALNLSMRXGTOHE-OAHLLOKOSA-N 0 3 352.479 2.224 10 0 FEAEHN O=C(NCCC1CCN(CC(F)(F)F)CC1)N1CCN2CCC[C@@H]2C1 ZINC000175930107 546374107 /nfs/dbraw/zinc/37/41/07/546374107.db2.gz ZUDNEAPUCLIAEE-OAHLLOKOSA-N 0 3 362.440 2.140 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCC(=O)Nc1ccc(Cl)cc1 ZINC000176260104 546425207 /nfs/dbraw/zinc/42/52/07/546425207.db2.gz KNPBQGXQEUCKIG-HNNXBMFYSA-N 0 3 352.866 2.404 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCCCNC(=O)c1cccc(F)c1 ZINC000176348810 546434445 /nfs/dbraw/zinc/43/44/45/546434445.db2.gz ROJGCTLFMRFAFY-KRWDZBQOSA-N 0 3 364.465 2.071 10 0 FEAEHN O=C(NC[C@@H](c1cccs1)N1CCCC1)N[C@@H]1CCCn2ncnc21 ZINC000176351905 546435180 /nfs/dbraw/zinc/43/51/80/546435180.db2.gz XAQSZSAXGFDWTE-KGLIPLIRSA-N 0 3 360.487 2.311 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCCCC(=O)N1Cc2ccccc2C1 ZINC000176352049 546435635 /nfs/dbraw/zinc/43/56/35/546435635.db2.gz DNLJURFTDGKZJF-LJQANCHMSA-N 0 3 372.513 2.435 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(C)c2ncccc12 ZINC000176892775 546501691 /nfs/dbraw/zinc/50/16/91/546501691.db2.gz UFFPMSRNLWKRQU-HNNXBMFYSA-N 0 3 354.454 2.424 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000176986840 546519307 /nfs/dbraw/zinc/51/93/07/546519307.db2.gz BNJBMLYKYZBHQJ-ROUUACIJSA-N 0 3 359.470 2.360 10 0 FEAEHN CCn1cnnc1[C@@H]1CCCN(CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000177035511 546529674 /nfs/dbraw/zinc/52/96/74/546529674.db2.gz BHNOBPDYVMFQQX-CYBMUJFWSA-N 0 3 360.437 2.228 10 0 FEAEHN C[C@@H]1CN(Cc2ccc(OCc3nccn3C)cc2)C[C@@H]1N1CCOCC1 ZINC000177259136 546580324 /nfs/dbraw/zinc/58/03/24/546580324.db2.gz RGKXETYMXORXAF-XLIONFOSSA-N 0 3 370.497 2.152 10 0 FEAEHN Cc1nn(C)c(=O)c(-c2nc(CN3CCN4CCCC[C@@H]4C3)cs2)c1C ZINC000177255029 546581159 /nfs/dbraw/zinc/58/11/59/546581159.db2.gz IPDYRFLIWGCGOP-MRXNPFEDSA-N 0 3 373.526 2.191 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000177305242 546590906 /nfs/dbraw/zinc/59/09/06/546590906.db2.gz FBBNYBARILWRJY-GOEBONIOSA-N 0 3 367.515 2.277 10 0 FEAEHN CCO[C@@H]1C[C@@H](NC(=O)NC[C@H](O)CN2CCCCC2)C12CCCCC2 ZINC000177623477 546655751 /nfs/dbraw/zinc/65/57/51/546655751.db2.gz ZRFZKNBLTPXZMG-RCCFBDPRSA-N 0 3 367.534 2.260 10 0 FEAEHN Cc1nc(-c2cccc(NC(=O)C(=O)N3CCN4CCC[C@H]4C3)c2)oc1C ZINC000177687434 546667489 /nfs/dbraw/zinc/66/74/89/546667489.db2.gz FYKDRZVIYODXAX-KRWDZBQOSA-N 0 3 368.437 2.204 10 0 FEAEHN Cc1coc(-c2cc(NC(=O)C(=O)N3CCN4CCC[C@H]4C3)ccc2C)n1 ZINC000177746307 546679635 /nfs/dbraw/zinc/67/96/35/546679635.db2.gz VPVMXIVTMHJWCH-INIZCTEOSA-N 0 3 368.437 2.204 10 0 FEAEHN O=C(CCN1CCN2CCCC[C@@H]2C1)Nc1ccc(N2CCCC2=O)cc1 ZINC000177754814 546680382 /nfs/dbraw/zinc/68/03/82/546680382.db2.gz IEYOJXBINOYJHC-LJQANCHMSA-N 0 3 370.497 2.312 10 0 FEAEHN COc1cccc(CNC(=O)[C@H](C)N2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000178290951 546770307 /nfs/dbraw/zinc/77/03/07/546770307.db2.gz RVLBWWZFSRSCKO-MAUKXSAKSA-N 0 3 356.470 2.369 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1[C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000178300248 546771975 /nfs/dbraw/zinc/77/19/75/546771975.db2.gz RKAFRKQFAJUTNZ-WMLDXEAASA-N 0 3 355.442 2.393 10 0 FEAEHN CCN(C[C@H](O)CN1C(=O)c2ccccc2C1=O)[C@@H](C)c1cccc(O)c1 ZINC000178378411 546784217 /nfs/dbraw/zinc/78/42/17/546784217.db2.gz OQPGVVUPDIEZHO-YOEHRIQHSA-N 0 3 368.433 2.432 10 0 FEAEHN CNC(=O)[C@H](NC(=O)NC[C@H]1CCCCN1Cc1ccccc1)C(C)C ZINC000178443586 546794405 /nfs/dbraw/zinc/79/44/05/546794405.db2.gz FCVPLEAEZVXTGR-QZTJIDSGSA-N 0 3 360.502 2.111 10 0 FEAEHN COc1ccc(NC(=O)CN2CCC[C@@H]2Cn2ccnc2C)cc1OC ZINC000178747918 546842651 /nfs/dbraw/zinc/84/26/51/546842651.db2.gz MCFHUSPTDPUMDJ-MRXNPFEDSA-N 0 3 358.442 2.312 10 0 FEAEHN COCc1ccc(CNC(=O)CN2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000178750837 546843290 /nfs/dbraw/zinc/84/32/90/546843290.db2.gz XBQDKMFIUOULGF-LJQANCHMSA-N 0 3 356.470 2.119 10 0 FEAEHN O=C([C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N1CCN2CCC[C@@H]2C1 ZINC000179813877 547016309 /nfs/dbraw/zinc/01/63/09/547016309.db2.gz BGZKIXXDDKDGDJ-TZMCWYRMSA-N 0 3 365.836 2.139 10 0 FEAEHN COC(=O)C1CCC(C(=O)NCc2cccc(OCCN(C)C)c2)CC1 ZINC000179913775 547028316 /nfs/dbraw/zinc/02/83/16/547028316.db2.gz IAHPSVHUQVWREN-UHFFFAOYSA-N 0 3 362.470 2.223 10 0 FEAEHN O=C(NC[C@@H](O)CN1CCCCC1)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000180598626 547139272 /nfs/dbraw/zinc/13/92/72/547139272.db2.gz AVDPPJDHWPIPQB-NVXWUHKLSA-N 0 3 365.449 2.185 10 0 FEAEHN CC(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)CN(C)Cc2ccccc2)c1 ZINC000180906386 547206513 /nfs/dbraw/zinc/20/65/13/547206513.db2.gz PISPQILYXXDSBA-HNNXBMFYSA-N 0 3 367.449 2.464 10 0 FEAEHN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000181280229 547285224 /nfs/dbraw/zinc/28/52/24/547285224.db2.gz ZEAJWRPAJXSVOL-WBVHZDCISA-N 0 3 370.501 2.495 10 0 FEAEHN C[C@@H](NC(=O)N(C)CCCN1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000182169470 547447665 /nfs/dbraw/zinc/44/76/65/547447665.db2.gz VJCYGXINJTWYBL-CQSZACIVSA-N 0 3 354.445 2.305 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000182661782 547529153 /nfs/dbraw/zinc/52/91/53/547529153.db2.gz UQORQGXXQGCRND-QWHCGFSZSA-N 0 3 360.426 2.188 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)C1 ZINC000183526110 547675539 /nfs/dbraw/zinc/67/55/39/547675539.db2.gz OUWPJUOEEYVQGS-GXTWGEPZSA-N 0 3 354.857 2.403 10 0 FEAEHN COc1cccc([C@@H]2[C@@H](NC(=O)N3CC[C@@H](N(C)C)C3)CCN2C2CC2)c1 ZINC000183765062 547716466 /nfs/dbraw/zinc/71/64/66/547716466.db2.gz FSKLSHYFNHZOSO-YZGWKJHDSA-N 0 3 372.513 2.319 10 0 FEAEHN CC[C@@H](O)CN1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000184975559 547909725 /nfs/dbraw/zinc/90/97/25/547909725.db2.gz YZXXLNVYJGIYJW-CYBMUJFWSA-N 0 3 367.291 2.214 10 0 FEAEHN COc1ccc2c(c1)nc(CNC(=O)N[C@H](CC(C)C)CN(C)C)n2C ZINC000185813220 548038468 /nfs/dbraw/zinc/03/84/68/548038468.db2.gz JHCPDRGQKBLGDD-CQSZACIVSA-N 0 3 361.490 2.357 10 0 FEAEHN CN(C)C[C@@H]1CN([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CCO1 ZINC000186330331 548119744 /nfs/dbraw/zinc/11/97/44/548119744.db2.gz JYZOZUUAMZIFNA-CZUORRHYSA-N 0 3 371.403 2.073 10 0 FEAEHN CN(c1cccnn1)C1CCN(Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000186939908 548225331 /nfs/dbraw/zinc/22/53/31/548225331.db2.gz FWYCCGHMCZRALX-UHFFFAOYSA-N 0 3 365.481 2.486 10 0 FEAEHN COC(=O)c1ccccc1CCN1CCC(N(C)c2cccnn2)CC1 ZINC000186964779 548230252 /nfs/dbraw/zinc/23/02/52/548230252.db2.gz VTYYKUBWTCOGAG-UHFFFAOYSA-N 0 3 354.454 2.407 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CNC[C@@H]1CCC(C)(C)O1 ZINC000189720566 548309013 /nfs/dbraw/zinc/30/90/13/548309013.db2.gz PNGLONZMYPKZFR-HNNXBMFYSA-N 0 3 350.507 2.427 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000195294863 548614171 /nfs/dbraw/zinc/61/41/71/548614171.db2.gz BJNLZINAQZSVKQ-QGZVFWFLSA-N 0 3 366.469 2.424 10 0 FEAEHN Cc1cccc(C2N=NC(=S)N2CCC(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000195319597 548622053 /nfs/dbraw/zinc/62/20/53/548622053.db2.gz SCWZUQKFRUHRFU-INIZCTEOSA-N 0 3 371.510 2.239 10 0 FEAEHN O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCN2CCC[C@H]2C1 ZINC000195323576 548623859 /nfs/dbraw/zinc/62/38/59/548623859.db2.gz MDPNXDJYZJGOGM-KRWDZBQOSA-N 0 3 371.868 2.470 10 0 FEAEHN C[C@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC(c2ccn[nH]2)CC1 ZINC000195507678 548651763 /nfs/dbraw/zinc/65/17/63/548651763.db2.gz AMKCXIJVIOGXGT-GFCCVEGCSA-N 0 3 359.405 2.465 10 0 FEAEHN CCOC(=O)c1cccc(OC[C@@H](O)CN2CCC(c3cc[nH]n3)CC2)c1 ZINC000195512792 548653574 /nfs/dbraw/zinc/65/35/74/548653574.db2.gz KFPAKGBEMBARFZ-KRWDZBQOSA-N 0 3 373.453 2.206 10 0 FEAEHN CN1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1)CC2 ZINC000245454094 548925169 /nfs/dbraw/zinc/92/51/69/548925169.db2.gz RRZIWICNQIHOPF-LXZJYRNTSA-N 0 3 355.482 2.291 10 0 FEAEHN COC(=O)[C@@H](C)Oc1ccc(CN2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000245511492 548936708 /nfs/dbraw/zinc/93/67/08/548936708.db2.gz YGOSCDKCZPKDGY-NVXWUHKLSA-N 0 3 358.442 2.131 10 0 FEAEHN COCc1nnc(-c2cccc(C(=O)N3C[C@@H]4CCCN4C[C@H]3C)c2)o1 ZINC000245600245 548954974 /nfs/dbraw/zinc/95/49/74/548954974.db2.gz FIYDXSYNPFDDLR-CJNGLKHVSA-N 0 3 356.426 2.192 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](N[C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245636831 548962634 /nfs/dbraw/zinc/96/26/34/548962634.db2.gz AGNWAKBCLAYLSU-BYCMXARLSA-N 0 3 354.292 2.294 10 0 FEAEHN CN(C[C@H]1CCCN(C)C1)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000245699746 548978886 /nfs/dbraw/zinc/97/88/86/548978886.db2.gz ZAIZCYXHCMYRNK-FNHZYXHNSA-N 0 3 361.461 2.145 10 0 FEAEHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@H]1CCCn2ncnc21 ZINC000246085543 549049205 /nfs/dbraw/zinc/04/92/05/549049205.db2.gz GCWSXYMJCGURBH-IRXDYDNUSA-N 0 3 354.458 2.077 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000246147543 549062522 /nfs/dbraw/zinc/06/25/22/549062522.db2.gz OPGBFBOQOYQIPP-DOMZBBRYSA-N 0 3 372.437 2.133 10 0 FEAEHN O=C(NC[C@@H](O)CN1CCCCC1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000246171255 549069134 /nfs/dbraw/zinc/06/91/34/549069134.db2.gz FGDVKZMMLPCBJY-UXHICEINSA-N 0 3 359.514 2.004 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000246195036 549073510 /nfs/dbraw/zinc/07/35/10/549073510.db2.gz POWXJMOZUVWJHH-KGLIPLIRSA-N 0 3 352.429 2.327 10 0 FEAEHN C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCN2CCC[C@H]2C1 ZINC000246209471 549079047 /nfs/dbraw/zinc/07/90/47/549079047.db2.gz AJXJJKUJUZFULS-GJZGRUSLSA-N 0 3 358.511 2.423 10 0 FEAEHN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCO[C@@H](CN(C)C)C1 ZINC000246258544 549090948 /nfs/dbraw/zinc/09/09/48/549090948.db2.gz GCALCYRDBYKROK-OLZOCXBDSA-N 0 3 359.392 2.295 10 0 FEAEHN Cc1cc(C)cc(OC[C@H](O)CN2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000246266767 549092807 /nfs/dbraw/zinc/09/28/07/549092807.db2.gz UTEAWGZTRNGNDG-LJQANCHMSA-N 0 3 370.497 2.354 10 0 FEAEHN O=C1CCCN1C[C@H](O)CN1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000246428123 549130677 /nfs/dbraw/zinc/13/06/77/549130677.db2.gz CLDDBYVDXTXVSL-ZACQAIPSSA-N 0 3 366.527 2.400 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc3oc(C4CC4)nc3c2)C1 ZINC000246523136 549152546 /nfs/dbraw/zinc/15/25/46/549152546.db2.gz UIVXOLHCFIXFRV-MLGOLLRUSA-N 0 3 370.453 2.489 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)C1 ZINC000246745837 549202777 /nfs/dbraw/zinc/20/27/77/549202777.db2.gz BEPVIQKYERDZEH-LZQZEXGQSA-N 0 3 363.477 2.044 10 0 FEAEHN COCCN1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C[C@@H]1C ZINC000246938416 549247238 /nfs/dbraw/zinc/24/72/38/549247238.db2.gz CBGZSXMMHDCDOA-AZUAARDMSA-N 0 3 374.529 2.013 10 0 FEAEHN COc1ccc(-c2noc(CN3C[C@@H]4CCCN4C[C@@H]3C)n2)c(OC)c1 ZINC000246986838 549257742 /nfs/dbraw/zinc/25/77/42/549257742.db2.gz FCDOCMSRLZKNRD-KBPBESRZSA-N 0 3 358.442 2.422 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000247070424 549276500 /nfs/dbraw/zinc/27/65/00/549276500.db2.gz OMPIYHLRHGOSGQ-HUUCEWRRSA-N 0 3 358.408 2.457 10 0 FEAEHN CC(C)N1CCC[C@H](NC[C@H](c2cccs2)N2CCO[C@H](C)C2)C1=O ZINC000247115926 549284946 /nfs/dbraw/zinc/28/49/46/549284946.db2.gz WZPBMDPUAXUMJS-IXDOHACOSA-N 0 3 365.543 2.499 10 0 FEAEHN CN(C)[C@H](CNC(=O)N1CCN2CCC[C@H]2C1)c1c(F)cccc1F ZINC000247309716 549315215 /nfs/dbraw/zinc/31/52/15/549315215.db2.gz VTVYCDVCGPPYEP-XJKSGUPXSA-N 0 3 352.429 2.057 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCC(CC(=O)N3CCCC3)CC2)C1 ZINC000247361224 549324532 /nfs/dbraw/zinc/32/45/32/549324532.db2.gz OOEUBMWEBQUKQR-FUHWJXTLSA-N 0 3 364.534 2.149 10 0 FEAEHN CCOCCN1CCN(C[C@@H](O)COc2cc(C)ccc2C)C[C@H]1CC ZINC000247807431 549383279 /nfs/dbraw/zinc/38/32/79/549383279.db2.gz TUOWRNVDGWEGDL-WOJBJXKFSA-N 0 3 364.530 2.476 10 0 FEAEHN CC[C@H]1CN(C[C@@H](O)COc2cc(C)ccc2C)CCN1CCOC ZINC000247927424 549391478 /nfs/dbraw/zinc/39/14/78/549391478.db2.gz ZYVHQQWWWVCAQW-RBUKOAKNSA-N 0 3 350.503 2.086 10 0 FEAEHN Cc1csc(=O)n1CCN1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248579926 549462462 /nfs/dbraw/zinc/46/24/62/549462462.db2.gz IDXRPHSHJQTRPP-RRFJBIMHSA-N 0 3 367.515 2.453 10 0 FEAEHN Cc1cc(NC(=O)[C@@H](C)N2CC[C@@H](CN(C)Cc3cccnc3)C2)on1 ZINC000248658667 549478305 /nfs/dbraw/zinc/47/83/05/549478305.db2.gz UMUYKJAAOKGMHQ-WBVHZDCISA-N 0 3 357.458 2.159 10 0 FEAEHN CCCCNC(=O)[C@H](C)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000248960564 549532144 /nfs/dbraw/zinc/53/21/44/549532144.db2.gz BZSMVUIWYWAZQB-DLBZAZTESA-N 0 3 369.550 2.419 10 0 FEAEHN CCN1CCCC[C@@H]1CNC(=O)N1CCO[C@@H](c2nc(C)cs2)C1 ZINC000249211073 549569032 /nfs/dbraw/zinc/56/90/32/549569032.db2.gz CWHIFEUUIUHTIF-HUUCEWRRSA-N 0 3 352.504 2.409 10 0 FEAEHN CCC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2CC)cc1 ZINC000249207004 549569651 /nfs/dbraw/zinc/56/96/51/549569651.db2.gz RYXZMQXHUDSAHU-SJORKVTESA-N 0 3 372.469 2.059 10 0 FEAEHN COC(=O)[C@@H]1CCCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000251927506 549658288 /nfs/dbraw/zinc/65/82/88/549658288.db2.gz XRHBHYPCZNTOCE-MOPGFXCFSA-N 0 3 373.497 2.492 10 0 FEAEHN COC[C@H](N)C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000262284580 549806394 /nfs/dbraw/zinc/80/63/94/549806394.db2.gz MERADKUDPURUIU-INIZCTEOSA-N 0 3 374.312 2.392 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2csc(-c3ccc4c(c3)OCO4)n2)n1 ZINC000263151962 549881550 /nfs/dbraw/zinc/88/15/50/549881550.db2.gz DDEUFGHIFHRJFY-LBPRGKRZSA-N 0 3 371.422 2.165 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2cc(NC(=O)C(C)(C)C)ccc2F)n1 ZINC000263305503 549893757 /nfs/dbraw/zinc/89/37/57/549893757.db2.gz XTCSIYRFELJTFI-CQSZACIVSA-N 0 3 361.421 2.436 10 0 FEAEHN CN1CCNC[C@@H]1c1noc([C@@H]2CCCCN2C(=O)c2cccs2)n1 ZINC000263314562 549893981 /nfs/dbraw/zinc/89/39/81/549893981.db2.gz ZGQDFTVZIKDFHA-QWHCGFSZSA-N 0 3 361.471 2.075 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2sccc2NC(=O)c2ccncc2)n1 ZINC000263313386 549894156 /nfs/dbraw/zinc/89/41/56/549894156.db2.gz ZCNNSFWUOSGQQE-ZDUSSCGKSA-N 0 3 370.438 2.022 10 0 FEAEHN CCc1c(-c2nc([C@H]3CNCCN3C)no2)cnn1Cc1ccccc1 ZINC000263314658 549894328 /nfs/dbraw/zinc/89/43/28/549894328.db2.gz ZHJALCOATUWSIV-QGZVFWFLSA-N 0 3 352.442 2.120 10 0 FEAEHN CC(C)n1cc([C@@]2(O)CCCN(CCc3ccc4c(c3)CCO4)C2)nn1 ZINC000284772179 551629499 /nfs/dbraw/zinc/62/94/99/551629499.db2.gz ZKQUTBLJPFPSEE-HXUWFJFHSA-N 0 3 356.470 2.320 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1c(Br)cnn1C ZINC000295078101 552956632 /nfs/dbraw/zinc/95/66/32/552956632.db2.gz QZECYJWDFDUTFJ-LBPRGKRZSA-N 0 3 365.275 2.433 10 0 FEAEHN Nc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)cc1 ZINC000311615145 553754737 /nfs/dbraw/zinc/75/47/37/553754737.db2.gz GDWNSNLEZLWXMG-NSISKUIASA-N 0 3 371.506 2.458 10 0 FEAEHN CCN1CC[C@H](NC(=O)c2cccc(C)c2I)C1 ZINC000389949128 558609941 /nfs/dbraw/zinc/60/99/41/558609941.db2.gz DETCSHBJMBENRB-NSHDSACASA-N 0 3 358.223 2.424 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)C1 ZINC000119831531 671909913 /nfs/dbraw/zinc/90/99/13/671909913.db2.gz KYUHQIWJTMBBGF-GJZGRUSLSA-N 0 3 354.495 2.073 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)C1 ZINC000131767406 672091652 /nfs/dbraw/zinc/09/16/52/672091652.db2.gz NUNSFPBEVGDYKD-CABCVRRESA-N 0 3 354.495 2.073 10 0 FEAEHN CCOCCN1CCN(Cn2nc(N(C)C)sc2=S)C[C@@H]1CC ZINC000152620598 672184838 /nfs/dbraw/zinc/18/48/38/672184838.db2.gz VEPAMZFVAQOQBL-ZDUSSCGKSA-N 0 3 359.565 2.130 10 0 FEAEHN COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCN2CC(C)C)ccc1F ZINC000160310614 672290293 /nfs/dbraw/zinc/29/02/93/672290293.db2.gz HIAIFMOMYLVPGW-CYBMUJFWSA-N 0 3 372.462 2.011 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000176973823 672378693 /nfs/dbraw/zinc/37/86/93/672378693.db2.gz BAORSOYVHCFGDB-AWEZNQCLSA-N 0 3 368.909 2.437 10 0 FEAEHN CCOCCN1CCN(Cn2nc(C(F)F)n(C)c2=S)C[C@@H]1CC ZINC000181373483 672426151 /nfs/dbraw/zinc/42/61/51/672426151.db2.gz UQDHKTBUUFNIHQ-LBPRGKRZSA-N 0 3 363.478 2.279 10 0 FEAEHN COCCCS(=O)(=O)NCCN[C@H](C)c1ccc2ccccc2c1 ZINC000181508631 672427519 /nfs/dbraw/zinc/42/75/19/672427519.db2.gz UXYHXYYOEAOUGK-OAHLLOKOSA-N 0 3 350.484 2.446 10 0 FEAEHN CC(C)Nc1ncnc2c1ncn2CN1CCSC2(CCOCC2)C1 ZINC000184827479 672508288 /nfs/dbraw/zinc/50/82/88/672508288.db2.gz VFAKHYNCEGXJFV-UHFFFAOYSA-N 0 3 362.503 2.202 10 0 FEAEHN C[C@H](O)CN1CCN(C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000248660076 672860272 /nfs/dbraw/zinc/86/02/72/672860272.db2.gz DBGBDLLCMHHTOA-TXPKVOOTSA-N 0 3 355.523 2.020 10 0 FEAEHN C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000255636385 672894692 /nfs/dbraw/zinc/89/46/92/672894692.db2.gz CACIVFNWXOWHNS-IVOILVROSA-N 0 3 352.500 2.012 10 0 FEAEHN CC(C)(C)OC(=O)N1C[C@@H](CNCc2cc(F)c(F)cc2F)[C@H](O)C1 ZINC000705675459 673062329 /nfs/dbraw/zinc/06/23/29/673062329.db2.gz QRQMSTQPRXNAOD-IAQYHMDHSA-N 0 3 360.376 2.421 10 0 FEAEHN CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC(c2nccs2)CC1 ZINC000638095735 677139764 /nfs/dbraw/zinc/13/97/64/677139764.db2.gz HQEPQMYZVDSSLC-KRWDZBQOSA-N 0 3 358.511 2.308 10 0 FEAEHN CCCC[C@H]1CN(CCC(=O)NCCn2cncn2)Cc2ccccc2O1 ZINC000012130159 539544612 /nfs/dbraw/zinc/54/46/12/539544612.db2.gz PFOGZBGXJAYRED-SFHVURJKSA-N 0 3 371.485 2.238 10 0 FEAEHN CC(C)C(=O)NCCc1nnc2n1CCN(CCCc1ccccc1)CC2 ZINC000012156972 539547729 /nfs/dbraw/zinc/54/77/29/539547729.db2.gz PHHSPOCMKIVRAO-UHFFFAOYSA-N 0 3 369.513 2.084 10 0 FEAEHN Cc1cc(C)cc(C(=O)NCC(=O)N[C@@H](CN(C)C)c2ccccc2)c1 ZINC000052555008 540472945 /nfs/dbraw/zinc/47/29/45/540472945.db2.gz FXJCWUYQIIRHQE-IBGZPJMESA-N 0 3 353.466 2.452 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)C1 ZINC000052593748 540476194 /nfs/dbraw/zinc/47/61/94/540476194.db2.gz LDGREXPTZDKSJQ-QGZVFWFLSA-N 0 3 373.501 2.234 10 0 FEAEHN Brc1ccc(OCCN2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000062982303 541155766 /nfs/dbraw/zinc/15/57/66/541155766.db2.gz RVZDFZDTFRFKMY-OAHLLOKOSA-N 0 3 355.276 2.234 10 0 FEAEHN CCNC(=O)CN(CC)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000063463732 541169208 /nfs/dbraw/zinc/16/92/08/541169208.db2.gz LZUIXYQIZLZUJR-SFHVURJKSA-N 0 3 360.502 2.209 10 0 FEAEHN O=C(c1cccc(N2CCN[C@H](c3ccccc3)C2)n1)N1CCSCC1 ZINC000065256289 541230453 /nfs/dbraw/zinc/23/04/53/541230453.db2.gz AGAQOBQUFCUOJX-SFHVURJKSA-N 0 3 368.506 2.422 10 0 FEAEHN C[C@@H](CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)N1CCOCC1 ZINC000247385273 549326769 /nfs/dbraw/zinc/32/67/69/549326769.db2.gz FYABSNUKBSQNAY-MOPGFXCFSA-N 0 3 374.529 2.013 10 0 FEAEHN Cc1nsc(N2CCCN(C(=O)N[C@H](CC(C)C)CN(C)C)CC2)n1 ZINC000073722301 541991531 /nfs/dbraw/zinc/99/15/31/541991531.db2.gz QLNWQSIKVMTFMG-OAHLLOKOSA-N 0 3 368.551 2.045 10 0 FEAEHN C[C@@H](NC[C@H](O)COc1cnsn1)c1cccc(Br)c1 ZINC000038012404 211348415 /nfs/dbraw/zinc/34/84/15/211348415.db2.gz BMLSLPGQKZGZMG-SKDRFNHKSA-N 0 3 358.261 2.391 10 0 FEAEHN O[C@H](CNCc1ccc(Br)s1)COC[C@H]1CCCO1 ZINC000037984880 211338142 /nfs/dbraw/zinc/33/81/42/211338142.db2.gz JLMBVQDXZJQEAP-GHMZBOCLSA-N 0 3 350.278 2.157 10 0 FEAEHN COCCCNC(=O)CN[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000016695679 211166435 /nfs/dbraw/zinc/16/64/35/211166435.db2.gz WOBPATDAKNZZTF-IBGZPJMESA-N 0 3 350.459 2.287 10 0 FEAEHN CN(C(=O)C1=NN(C)C(=O)CC1)[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000014965216 211107990 /nfs/dbraw/zinc/10/79/90/211107990.db2.gz KHJZWJMOQNRBLJ-GOSISDBHSA-N 0 3 370.497 2.150 10 0 FEAEHN CNC(=O)c1[nH]nc2c1[C@H](c1ccc(CN3CCCCC3)s1)CC(=O)N2 ZINC000065381351 221206511 /nfs/dbraw/zinc/20/65/11/221206511.db2.gz GYSOWASJDXORRM-LBPRGKRZSA-N 0 3 373.482 2.291 10 0 FEAEHN CNC(=O)c1[n-]nc2c1[C@H](c1ccc(C[NH+]3CCCCC3)s1)CC(=O)N2 ZINC000065381351 221206513 /nfs/dbraw/zinc/20/65/13/221206513.db2.gz GYSOWASJDXORRM-LBPRGKRZSA-N 0 3 373.482 2.291 10 0 FEAEHN COc1ccc(Cl)c(NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C)c1 ZINC000068330801 221315751 /nfs/dbraw/zinc/31/57/51/221315751.db2.gz JNRZWTNOWUDLBI-LBPRGKRZSA-N 0 3 355.866 2.380 10 0 FEAEHN O=c1c2sccc2nc(N2CCNCC2)n1Cc1cc(F)cc(F)c1 ZINC000057344421 132376371 /nfs/dbraw/zinc/37/63/71/132376371.db2.gz YGPQTGZXGCEDCI-UHFFFAOYSA-N 0 3 362.405 2.194 10 0 FEAEHN Cc1nccn1-c1cncc(N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000091478879 542810268 /nfs/dbraw/zinc/81/02/68/542810268.db2.gz AMWBGBLBHVFHIC-HOTGVXAUSA-N 0 3 370.501 2.296 10 0 FEAEHN CCO[C@@H]1C[C@@H](N(C)Cc2cnc(N3CCN(C)CC3)nc2)C12CCCC2 ZINC000093611074 542934554 /nfs/dbraw/zinc/93/45/54/542934554.db2.gz JHISWRISRCVXNL-RTBURBONSA-N 0 3 373.545 2.398 10 0 FEAEHN CN(C)C[C@H](NC(=O)NCC(=O)N1CCc2ccccc21)c1ccccc1 ZINC000101977106 543052808 /nfs/dbraw/zinc/05/28/08/543052808.db2.gz HLUGTALFDZXBOS-SFHVURJKSA-N 0 3 366.465 2.178 10 0 FEAEHN O=C1CCCN1C1CCN(C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000104730775 543140627 /nfs/dbraw/zinc/14/06/27/543140627.db2.gz WCGKIQKMLNLQAN-GOSISDBHSA-N 0 3 366.889 2.304 10 0 FEAEHN O=C(CN1CCC[C@H](Cn2cncn2)C1)N(Cc1ccccc1)C1CC1 ZINC000106171687 543212078 /nfs/dbraw/zinc/21/20/78/543212078.db2.gz HJSRQNGOEXXLSE-SFHVURJKSA-N 0 3 353.470 2.181 10 0 FEAEHN CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000106174094 543212404 /nfs/dbraw/zinc/21/24/04/543212404.db2.gz BTXDMHTVZAPSCG-YJBOKZPZSA-N 0 3 357.458 2.416 10 0 FEAEHN Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC[C@H](Cn2cncn2)C1 ZINC000106173109 543212526 /nfs/dbraw/zinc/21/25/26/543212526.db2.gz REQHORAYLLQAMS-ROUUACIJSA-N 0 3 355.486 2.346 10 0 FEAEHN Cc1nc2c(cnn2C)c(N2CCN(CCCc3ccccc3)CC2)n1 ZINC000106170488 543211680 /nfs/dbraw/zinc/21/16/80/543211680.db2.gz FROCLQRXGNZPLY-UHFFFAOYSA-N 0 3 350.470 2.427 10 0 FEAEHN CN(C)[C@H](Cc1ccccc1)C(=O)NCCN1CCc2ccccc2C1 ZINC000106904597 543254454 /nfs/dbraw/zinc/25/44/54/543254454.db2.gz RLXQUKSXSDMTOF-OAQYLSRUSA-N 0 3 351.494 2.334 10 0 FEAEHN CN(C[C@H]1CCN(C)C1)C(=O)c1csc(I)c1 ZINC000107594901 543273327 /nfs/dbraw/zinc/27/33/27/543273327.db2.gz STFPSBKALNALMB-VIFPVBQESA-N 0 3 364.252 2.376 10 0 FEAEHN CCOc1cc(CN(C)C[C@H](O)CN2CCCC2=O)ccc1OC(F)F ZINC000111683398 543412122 /nfs/dbraw/zinc/41/21/22/543412122.db2.gz FUISWLAUXJPTFN-AWEZNQCLSA-N 0 3 372.412 2.102 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@H](C)c1nc(=O)c3c(C)c(C)sc3[nH]1)CC2 ZINC000112550723 543451326 /nfs/dbraw/zinc/45/13/26/543451326.db2.gz VNSQBCCLIZWHAI-PWSUYJOCSA-N 0 3 372.498 2.421 10 0 FEAEHN CCN1CCC[C@H](NC(=O)c2cc(Br)cnc2N(C)C)C1 ZINC000113173501 543476094 /nfs/dbraw/zinc/47/60/94/543476094.db2.gz IUMSSAFPTUGKCK-LBPRGKRZSA-N 0 3 355.280 2.124 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000113229131 543478578 /nfs/dbraw/zinc/47/85/78/543478578.db2.gz KYGYGIMFWBPENW-SZVBFZGTSA-N 0 3 373.472 2.373 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)CSCC(=O)Nc1ccc(F)cc1 ZINC000113444604 543488669 /nfs/dbraw/zinc/48/86/69/543488669.db2.gz ITBBTOWLGMCZFH-XJKSGUPXSA-N 0 3 365.474 2.193 10 0 FEAEHN Cc1ccc(CC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)cc1 ZINC000114415855 543514630 /nfs/dbraw/zinc/51/46/30/543514630.db2.gz FXFCIFXIZHHQRE-UHFFFAOYSA-N 0 3 352.482 2.343 10 0 FEAEHN CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000121876328 543700853 /nfs/dbraw/zinc/70/08/53/543700853.db2.gz KFFRWWIMJSYRMN-CQSZACIVSA-N 0 3 353.438 2.255 10 0 FEAEHN CC(C)(CNC(=O)NC[C@@H](O)CN1CCCCC1)c1cccc(F)c1 ZINC000118585993 543653746 /nfs/dbraw/zinc/65/37/46/543653746.db2.gz ZQMIUBIFDARDLD-QGZVFWFLSA-N 0 3 351.466 2.249 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cncc(I)c1 ZINC000126381201 543933188 /nfs/dbraw/zinc/93/31/88/543933188.db2.gz FEAMAISDPATYOQ-CYBMUJFWSA-N 0 3 373.238 2.243 10 0 FEAEHN Cc1nc(COc2cccc(C(=O)N[C@H]3CN(C(C)C)C[C@@H]3C)c2)no1 ZINC000126471087 543937979 /nfs/dbraw/zinc/93/79/79/543937979.db2.gz WRVOFAWURVNMSV-GUYCJALGSA-N 0 3 358.442 2.416 10 0 FEAEHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000247492690 549343513 /nfs/dbraw/zinc/34/35/13/549343513.db2.gz ULDJKWCELJQNKV-XHSDSOJGSA-N 0 3 351.491 2.377 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CNC1C[C@@H](C)O[C@H](C)C1 ZINC000128753935 544071014 /nfs/dbraw/zinc/07/10/14/544071014.db2.gz DEWYMTKLNKRTOW-HUUCEWRRSA-N 0 3 350.507 2.426 10 0 FEAEHN CCN1CCN(c2ccc(C(=O)N3C[C@H]4CCCN4C[C@H]3C)cc2F)CC1 ZINC000247493246 549344256 /nfs/dbraw/zinc/34/42/56/549344256.db2.gz UKLZJEMYSPZMAL-SJLPKXTDSA-N 0 3 374.504 2.276 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000132324185 544227204 /nfs/dbraw/zinc/22/72/04/544227204.db2.gz ONYTUYZOAWZJRH-MRXNPFEDSA-N 0 3 369.469 2.062 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2c3c(sc2-n2cccc2)CCC3)CCO1 ZINC000135015918 544330888 /nfs/dbraw/zinc/33/08/88/544330888.db2.gz JIGODZQEMSTXMM-CQSZACIVSA-N 0 3 359.495 2.430 10 0 FEAEHN Cc1nc(-c2cccc(NC(=O)NC[C@@H](O)CN3CCCCC3)c2)no1 ZINC000144554307 544429481 /nfs/dbraw/zinc/42/94/81/544429481.db2.gz QSSABVSJKCUYAI-MRXNPFEDSA-N 0 3 359.430 2.013 10 0 FEAEHN CCc1nc2cc(NC(=O)C(=O)N[C@H]3CN(C(C)C)C[C@@H]3C)ccc2o1 ZINC000150772802 544469652 /nfs/dbraw/zinc/46/96/52/544469652.db2.gz VTPLMBZIRPEMLX-WFASDCNBSA-N 0 3 358.442 2.174 10 0 FEAEHN CCCN1Cc2cccc(NC(=O)C(=O)N[C@H]3CN(C(C)C)C[C@@H]3C)c2C1 ZINC000150793957 544472886 /nfs/dbraw/zinc/47/28/86/544472886.db2.gz WAFQFQBIAMQLQN-KXBFYZLASA-N 0 3 372.513 2.196 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c2cccnc12 ZINC000150804548 544473473 /nfs/dbraw/zinc/47/34/73/544473473.db2.gz BFFQJPJZNFQUHD-YOEHRIQHSA-N 0 3 354.454 2.327 10 0 FEAEHN Cc1cncc(/C=C/C(=O)N(C)C2CCN(CCn3cccn3)CC2)c1 ZINC000151617968 544562824 /nfs/dbraw/zinc/56/28/24/544562824.db2.gz XNKMDGQEPMPZTD-SNAWJCMRSA-N 0 3 353.470 2.223 10 0 FEAEHN COC(=O)c1cc(F)ccc1S(=O)(=O)NC[C@H]1CCCN1CC(C)C ZINC000152073113 544611845 /nfs/dbraw/zinc/61/18/45/544611845.db2.gz COJTUYQKIFALHD-CQSZACIVSA-N 0 3 372.462 2.011 10 0 FEAEHN Cc1ccccc1-c1cc(NC(=O)N2CCO[C@@H](CN(C)C)C2)n(C)n1 ZINC000153584438 544793800 /nfs/dbraw/zinc/79/38/00/544793800.db2.gz MYPPFXVXZQDANS-HNNXBMFYSA-N 0 3 357.458 2.190 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1[C@@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000154547079 544919298 /nfs/dbraw/zinc/91/92/98/544919298.db2.gz KBCNFCYBJWAECQ-YJBOKZPZSA-N 0 3 369.469 2.070 10 0 FEAEHN CCC[C@H]1C[C@@H](C(=O)N(C)C2CCN(CCn3cccn3)CC2)CCO1 ZINC000180159595 327674078 /nfs/dbraw/zinc/67/40/78/327674078.db2.gz LUAOMNMMASBTMZ-HKUYNNGSSA-N 0 3 362.518 2.401 10 0 FEAEHN CC(C)c1nnc2n1C[C@@H](NC(=O)N[C@H](CN(C)C)c1ccccc1)CC2 ZINC000181414645 327729315 /nfs/dbraw/zinc/72/93/15/327729315.db2.gz PIISSIMDOYQMEN-DLBZAZTESA-N 0 3 370.501 2.318 10 0 FEAEHN CCOc1cc(CN[C@H](C)[C@@H]2CCCO2)nc2nc(C(F)(F)F)nn21 ZINC000183165073 327805130 /nfs/dbraw/zinc/80/51/30/327805130.db2.gz GSSJDHWNJSMBIK-KOLCDFICSA-N 0 3 359.352 2.199 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000185813149 327934278 /nfs/dbraw/zinc/93/42/78/327934278.db2.gz PTUVWDAHMAODGH-FDYSRKEFSA-N 0 3 362.518 2.487 10 0 FEAEHN Cc1ccc(SC[C@@H](C)NC(=O)N2CCO[C@@H](CN(C)C)C2)cc1 ZINC000185944635 327940248 /nfs/dbraw/zinc/94/02/48/327940248.db2.gz VTSDKDHMIHFAJL-CVEARBPZSA-N 0 3 351.516 2.448 10 0 FEAEHN CN1c2ccc(CN3CCC(Nc4cccnn4)CC3)cc2CCC1=O ZINC000186939779 327991997 /nfs/dbraw/zinc/99/19/97/327991997.db2.gz JMVSBYLYNRFKQE-UHFFFAOYSA-N 0 3 351.454 2.462 10 0 FEAEHN CC[C@H](O)CN1CCN(C(=O)c2cc(-c3ccc(C)cc3C)[nH]n2)CC1 ZINC000189150895 328131350 /nfs/dbraw/zinc/13/13/50/328131350.db2.gz DBKKDINISVZQIF-INIZCTEOSA-N 0 3 356.470 2.222 10 0 FEAEHN CSCCc1ccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1 ZINC000190099505 328188259 /nfs/dbraw/zinc/18/82/59/328188259.db2.gz ICUZZFKLLUMFQM-RHSMWYFYSA-N 0 3 361.511 2.226 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc2cnccc21 ZINC000190344413 328201397 /nfs/dbraw/zinc/20/13/97/328201397.db2.gz UZQKAXQHDGEWIE-HZPDHXFCSA-N 0 3 352.438 2.259 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc2scnc2c1 ZINC000190348943 328201626 /nfs/dbraw/zinc/20/16/26/328201626.db2.gz GGFFMXVPVLXLCA-UONOGXRCSA-N 0 3 358.467 2.320 10 0 FEAEHN CC(C)c1nc(N(C)C)nc(N2CC[C@@H](CN(C)Cc3cccnc3)C2)n1 ZINC000190450194 328208592 /nfs/dbraw/zinc/20/85/92/328208592.db2.gz AXVQSIQLZJALFQ-KRWDZBQOSA-N 0 3 369.517 2.414 10 0 FEAEHN C[C@@H](C(=O)NC(C)(C)C)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190508022 328212473 /nfs/dbraw/zinc/21/24/73/328212473.db2.gz DFSVCMVKHHOQRJ-HOTGVXAUSA-N 0 3 369.550 2.418 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ncc(C(C)C)s1 ZINC000190659860 328222985 /nfs/dbraw/zinc/22/29/85/328222985.db2.gz BVIAAKSOFNXVHU-CYBMUJFWSA-N 0 3 352.504 2.442 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NCCc2cccc(O)c2)C1 ZINC000190705655 328226294 /nfs/dbraw/zinc/22/62/94/328226294.db2.gz LDPNUVFOASLMRN-LJQANCHMSA-N 0 3 368.481 2.493 10 0 FEAEHN Cc1csc(C(=O)N2CC[C@@H](N(C)C)C2)c1I ZINC000191038868 328246970 /nfs/dbraw/zinc/24/69/70/328246970.db2.gz AOHROTHQLBPTMO-SECBINFHSA-N 0 3 364.252 2.437 10 0 FEAEHN Cc1ccc(CN2CC[C@H](NC(=O)N[C@H](CC(C)C)CN(C)C)C2=O)cc1 ZINC000191119416 328250812 /nfs/dbraw/zinc/25/08/12/328250812.db2.gz FKNFCVIFTREREX-MOPGFXCFSA-N 0 3 374.529 2.371 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCSC[C@H]1c1cnn(C)c1 ZINC000191119325 328250486 /nfs/dbraw/zinc/25/04/86/328250486.db2.gz GAJOOTUBPSSGNK-CVEARBPZSA-N 0 3 353.536 2.196 10 0 FEAEHN Cc1nn(C)c(C)c1CN1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191980091 328291608 /nfs/dbraw/zinc/29/16/08/328291608.db2.gz HYQZXYKWGAACKG-UHFFFAOYSA-N 0 3 350.507 2.275 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000192708746 328334755 /nfs/dbraw/zinc/33/47/55/328334755.db2.gz LHSBGTLMYJBIDM-CYBMUJFWSA-N 0 3 366.531 2.443 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000192937709 328347766 /nfs/dbraw/zinc/34/77/66/328347766.db2.gz UYEQMRHHNGBPMU-MRXNPFEDSA-N 0 3 363.458 2.363 10 0 FEAEHN COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[NH2+][C@H]2C)cc1Cl ZINC000193455829 328376527 /nfs/dbraw/zinc/37/65/27/328376527.db2.gz VWSYNCHNUUTPRT-GZMMTYOYSA-N 0 3 353.271 2.421 10 0 FEAEHN Cc1ccc(Br)cc1S(=O)(=O)N1C[C@H](N(C)C)[C@@H](C)C1 ZINC000228129709 328485099 /nfs/dbraw/zinc/48/50/99/328485099.db2.gz SHQLYTWZMVGMTE-AAEUAGOBSA-N 0 3 361.305 2.328 10 0 FEAEHN CN(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 ZINC000052555123 324719238 /nfs/dbraw/zinc/71/92/38/324719238.db2.gz QRYKWGYFCDQANN-UXHICEINSA-N 0 3 365.477 2.454 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000236898310 328497535 /nfs/dbraw/zinc/49/75/35/328497535.db2.gz MUVXTVCDAPTOIS-XHDPSFHLSA-N 0 3 355.504 2.384 10 0 FEAEHN COc1ccc(C(=O)N[C@@H](C(=O)NC[C@H](N)c2ccccc2)C(C)C)cc1 ZINC000237149744 328506687 /nfs/dbraw/zinc/50/66/87/328506687.db2.gz WUNRIYYBYFJRIY-RBUKOAKNSA-N 0 3 369.465 2.266 10 0 FEAEHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@H](C)[C@@H]2CCCO2)CC1 ZINC000079217926 325081953 /nfs/dbraw/zinc/08/19/53/325081953.db2.gz HOYQFHACBZCRKW-XLIONFOSSA-N 0 3 374.529 2.191 10 0 FEAEHN O=C(NCc1cccnc1)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000112549898 325789403 /nfs/dbraw/zinc/78/94/03/325789403.db2.gz FIAGVNIJNQFOSY-HXUWFJFHSA-N 0 3 368.481 2.326 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000114933345 325934326 /nfs/dbraw/zinc/93/43/26/325934326.db2.gz QQAYSZOSTBGIGX-QZTJIDSGSA-N 0 3 360.502 2.236 10 0 FEAEHN CN(C)CCOc1cccc(CNC(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000116421390 326013679 /nfs/dbraw/zinc/01/36/79/326013679.db2.gz GFNWDITYMGUIMX-QGZVFWFLSA-N 0 3 371.485 2.060 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCCN(Cc3csc(C)n3)CC2)C1 ZINC000116535535 326021596 /nfs/dbraw/zinc/02/15/96/326021596.db2.gz ODHARMXTRSMULQ-MRXNPFEDSA-N 0 3 365.547 2.153 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CCO1 ZINC000116791057 326035558 /nfs/dbraw/zinc/03/55/58/326035558.db2.gz JWRVCOFLISGMID-BZUAXINKSA-N 0 3 367.287 2.342 10 0 FEAEHN Cc1cnn(CCNC(=O)NC2CCN(Cc3ccccc3C)CC2)c1 ZINC000118058092 326078361 /nfs/dbraw/zinc/07/83/61/326078361.db2.gz VBPBLBJKPJATEB-UHFFFAOYSA-N 0 3 355.486 2.464 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)CCO1 ZINC000118806284 326103878 /nfs/dbraw/zinc/10/38/78/326103878.db2.gz MCHDBUGZGNADAW-MRXNPFEDSA-N 0 3 362.474 2.009 10 0 FEAEHN Cc1ccccc1CCC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000119849063 326204606 /nfs/dbraw/zinc/20/46/06/326204606.db2.gz MBAVMTHNXVMICV-NRFANRHFSA-N 0 3 352.478 2.463 10 0 FEAEHN COC(=O)c1sccc1CN(C)C1CCN(CCn2cccn2)CC1 ZINC000120487491 326262776 /nfs/dbraw/zinc/26/27/76/326262776.db2.gz IUHUTIOXKCWBML-UHFFFAOYSA-N 0 3 362.499 2.328 10 0 FEAEHN CC[C@H]1CN(Cc2ccc(OC)c(OC)c2OC)CCN1CCOC ZINC000120926536 326299698 /nfs/dbraw/zinc/29/96/98/326299698.db2.gz FKHZZENSAKFDOF-INIZCTEOSA-N 0 3 352.475 2.255 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000121812094 326369113 /nfs/dbraw/zinc/36/91/13/326369113.db2.gz KPDVUDXWSWRLBO-CQSZACIVSA-N 0 3 370.291 2.480 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000121842705 326371334 /nfs/dbraw/zinc/37/13/34/326371334.db2.gz ODJBBFIQUCBHFT-CYBMUJFWSA-N 0 3 357.401 2.319 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000122415540 326395921 /nfs/dbraw/zinc/39/59/21/326395921.db2.gz QVQBJEIWWUROKK-LSDHHAIUSA-N 0 3 351.470 2.075 10 0 FEAEHN Cc1cc(S(=O)(=O)[N-][C@](C)(C[NH3+])C2CC2)sc1Br ZINC000130364181 326555707 /nfs/dbraw/zinc/55/57/07/326555707.db2.gz YMJNGANICFKQKK-LLVKDONJSA-N 0 3 353.307 2.225 10 0 FEAEHN COc1ccccc1N1CC[C@@H](N[C@@H]2CCc3nc(C(C)C)nn3C2)C1=O ZINC000151080662 326674327 /nfs/dbraw/zinc/67/43/27/326674327.db2.gz HBRGVKKABJGNJS-HUUCEWRRSA-N 0 3 369.469 2.120 10 0 FEAEHN CCn1cnnc1C1CCN(C[C@@H](O)COCc2cccc(OC)c2)CC1 ZINC000155410494 326787249 /nfs/dbraw/zinc/78/72/49/326787249.db2.gz RRKYEBBNKKIJLF-GOSISDBHSA-N 0 3 374.485 2.064 10 0 FEAEHN Cc1cnn(-c2ccc(C)cc2NC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000158535439 326899054 /nfs/dbraw/zinc/89/90/54/326899054.db2.gz GXFFMGRBYDFFBD-KRWDZBQOSA-N 0 3 371.485 2.457 10 0 FEAEHN Ic1cnc(NCCCNCc2cccnc2)nc1 ZINC000159165877 326921266 /nfs/dbraw/zinc/92/12/66/326921266.db2.gz XSERTIBJGBNJAU-UHFFFAOYSA-N 0 3 369.210 2.068 10 0 FEAEHN CC(C)C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1nc(-c2nc[n-]n2)no1 ZINC000161746055 327008264 /nfs/dbraw/zinc/00/82/64/327008264.db2.gz OPAZUXCZQBQVAC-CYBMUJFWSA-N 0 3 362.434 2.217 10 0 FEAEHN C[C@@H](C(=O)N1CCO[C@H](CN(C)C)C1)c1ccc(Br)cc1 ZINC000163044418 327041036 /nfs/dbraw/zinc/04/10/36/327041036.db2.gz RDLLSJYMWWGILU-IUODEOHRSA-N 0 3 355.276 2.342 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000170859548 327102845 /nfs/dbraw/zinc/10/28/45/327102845.db2.gz MHHZFHFKEKSQII-QGZVFWFLSA-N 0 3 367.449 2.371 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)C1 ZINC000170857270 327102939 /nfs/dbraw/zinc/10/29/39/327102939.db2.gz DSEMAIHZAXJGME-MOPGFXCFSA-N 0 3 351.450 2.320 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000170858346 327103000 /nfs/dbraw/zinc/10/30/00/327103000.db2.gz GDTJSIMESOYEDT-GFCCVEGCSA-N 0 3 364.496 2.162 10 0 FEAEHN CCOc1ccc([C@@H](C)NC(=O)CN2CCN3CCC[C@@H]3C2)cc1OC ZINC000170958855 327110250 /nfs/dbraw/zinc/11/02/50/327110250.db2.gz MRDAHJWKFJOFGC-NVXWUHKLSA-N 0 3 361.486 2.051 10 0 FEAEHN CC(C)COC[C@@H](NC(=O)NC[C@H](O)CN1CCCCC1)c1ccco1 ZINC000171219178 327125510 /nfs/dbraw/zinc/12/55/10/327125510.db2.gz AQKOREVHTZVYFD-DLBZAZTESA-N 0 3 367.490 2.139 10 0 FEAEHN O[C@H](COCc1ccc(Cl)cc1)CN1CCC(C2OCCO2)CC1 ZINC000171236840 327126670 /nfs/dbraw/zinc/12/66/70/327126670.db2.gz YKFLNBAFVNOCRX-KRWDZBQOSA-N 0 3 355.862 2.302 10 0 FEAEHN Cc1nc(C[C@@H]2CCCN(C[C@H](O)COCc3cccs3)C2)no1 ZINC000171503708 327143034 /nfs/dbraw/zinc/14/30/34/327143034.db2.gz UMSCGMQGWGCVCT-GJZGRUSLSA-N 0 3 351.472 2.272 10 0 FEAEHN Cc1cccc(NC[C@H]2CCN(Cc3cc(=O)n4ccsc4n3)C2)n1 ZINC000171652570 327152050 /nfs/dbraw/zinc/15/20/50/327152050.db2.gz GQZDFJXSCIHTBR-CQSZACIVSA-N 0 3 355.467 2.393 10 0 FEAEHN Cc1cccc(NC[C@H]2CCN(CC(=O)NCCOc3ccccc3)C2)n1 ZINC000171651898 327152186 /nfs/dbraw/zinc/15/21/86/327152186.db2.gz KUYVFWFABHNNJV-GOSISDBHSA-N 0 3 368.481 2.319 10 0 FEAEHN CCS[C@@H]1CCCCN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000171833320 327164592 /nfs/dbraw/zinc/16/45/92/327164592.db2.gz YBDNTRIFKUDNRU-LSDHHAIUSA-N 0 3 362.495 2.251 10 0 FEAEHN CN(C)[C@@H](CNC(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1Cl ZINC000171898178 327168417 /nfs/dbraw/zinc/16/84/17/327168417.db2.gz SPHJJWGAFZGQEA-PBHICJAKSA-N 0 3 350.894 2.432 10 0 FEAEHN O=C(N[C@H]1CCOc2ccccc21)N1CCN(CC2CCOCC2)CC1 ZINC000172435218 327201814 /nfs/dbraw/zinc/20/18/14/327201814.db2.gz IYRWDGRATFIJOU-SFHVURJKSA-N 0 3 359.470 2.264 10 0 FEAEHN CC(C)c1csc([C@H]2CCCN(Cc3cc(=O)n(C)c(=O)n3C)C2)n1 ZINC000172924129 327226040 /nfs/dbraw/zinc/22/60/40/327226040.db2.gz GDYNWMSLMDQGRJ-ZDUSSCGKSA-N 0 3 362.499 2.044 10 0 FEAEHN CCOCCCNC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000173314620 327249257 /nfs/dbraw/zinc/24/92/57/327249257.db2.gz ARULUZWQUXVTJU-LJQANCHMSA-N 0 3 363.502 2.158 10 0 FEAEHN COCCN1CCC(NC(=O)N2CCC[C@@H](c3nc(C)cs3)C2)CC1 ZINC000173397007 327253346 /nfs/dbraw/zinc/25/33/46/327253346.db2.gz OXEKBBKNFLDTGP-OAHLLOKOSA-N 0 3 366.531 2.451 10 0 FEAEHN CCCS(=O)(=O)Nc1cccc(NC(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000173468908 327259329 /nfs/dbraw/zinc/25/93/29/327259329.db2.gz JVAVZJLPNNBLMQ-MRXNPFEDSA-N 0 3 366.487 2.150 10 0 FEAEHN C[C@H](CNC(=O)NC[C@H](O)CN1CCCCC1)c1ccc(F)cc1F ZINC000173507735 327262550 /nfs/dbraw/zinc/26/25/50/327262550.db2.gz TYFSPKHNFPPRNB-HIFRSBDPSA-N 0 3 355.429 2.214 10 0 FEAEHN CCCCNC(=O)[C@@H](C)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000173646230 327273297 /nfs/dbraw/zinc/27/32/97/327273297.db2.gz OOVUAUCEDZBTMC-CVEARBPZSA-N 0 3 353.532 2.324 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000173913205 327294066 /nfs/dbraw/zinc/29/40/66/327294066.db2.gz IRMLSIPWOREYEX-ZFWWWQNUSA-N 0 3 364.877 2.181 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N(C)Cc2nc([C@@H](C)OCC(C)C)no2)C1 ZINC000174239227 327314704 /nfs/dbraw/zinc/31/47/04/327314704.db2.gz GGQPANMXKMRCQD-CABCVRRESA-N 0 3 367.494 2.429 10 0 FEAEHN O=C(CC1CCOCC1)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000174849817 327355086 /nfs/dbraw/zinc/35/50/86/327355086.db2.gz NHZKFIUSTRSJBU-FQEVSTJZSA-N 0 3 360.498 2.365 10 0 FEAEHN CCN1CCCC[C@H]1C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000174855456 327355272 /nfs/dbraw/zinc/35/52/72/327355272.db2.gz XOEQKVRDTDRSLG-SFTDATJTSA-N 0 3 373.541 2.423 10 0 FEAEHN CC[C@H](CNC(=O)NC[C@H](O)CN1CCCCC1)Oc1cccc(F)c1 ZINC000175643455 327403971 /nfs/dbraw/zinc/40/39/71/327403971.db2.gz MYDXWYRNWOUBQJ-DLBZAZTESA-N 0 3 367.465 2.129 10 0 FEAEHN CN(C(=O)N[C@@H]1CCCn2ncnc21)C1CCN(Cc2ccccc2)CC1 ZINC000176596918 327465427 /nfs/dbraw/zinc/46/54/27/327465427.db2.gz BCSHUOTWHBKKDD-GOSISDBHSA-N 0 3 368.485 2.419 10 0 FEAEHN Cc1nn(C)cc1C(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000177469454 327524779 /nfs/dbraw/zinc/52/47/79/327524779.db2.gz YCCGFBNBQVFAJI-FQEVSTJZSA-N 0 3 370.497 2.246 10 0 FEAEHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(OCc2ccccc2)nc1 ZINC000178508438 327589578 /nfs/dbraw/zinc/58/95/78/327589578.db2.gz GWRNGHBZESIREA-LJQANCHMSA-N 0 3 369.465 2.237 10 0 FEAEHN CCO[C@@H]1C[C@H](N[C@H]2CCN(c3ccccc3F)C2=O)C12CCOCC2 ZINC000248910778 328748224 /nfs/dbraw/zinc/74/82/24/328748224.db2.gz BZODGWLIVUNPJZ-RYQLBKOJSA-N 0 3 362.445 2.495 10 0 FEAEHN NC(=O)c1cccc(Oc2ccc(NC(=O)C3(N)CCOCC3)cc2)c1 ZINC000261922498 328829476 /nfs/dbraw/zinc/82/94/76/328829476.db2.gz VDFLGIGWZHNFEK-UHFFFAOYSA-N 0 3 355.394 2.024 10 0 FEAEHN CCC[C@H](N)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1CCCCC1 ZINC000262421846 328865138 /nfs/dbraw/zinc/86/51/38/328865138.db2.gz FRHQWJLIQMVRCK-AWEZNQCLSA-N 0 3 363.458 2.396 10 0 FEAEHN COc1ccc(COCc2cccc(NC(=O)[C@@H]3C[C@@H](O)CN3)c2)cc1 ZINC000262426212 328865192 /nfs/dbraw/zinc/86/51/92/328865192.db2.gz RCIDZTXVRQQFHZ-MJGOQNOKSA-N 0 3 356.422 2.073 10 0 FEAEHN COc1ccc(CN2CCO[C@@H](CN(C)C)C2)c(Br)c1OC ZINC000155305119 518151430 /nfs/dbraw/zinc/15/14/30/518151430.db2.gz IBODJFSQCVWDQB-ZDUSSCGKSA-N 0 3 373.291 2.229 10 0 FEAEHN CN(C)C[C@H]1CN(CC(=O)Nc2ccccc2SC(F)F)CCO1 ZINC000155299580 545508006 /nfs/dbraw/zinc/50/80/06/545508006.db2.gz XPAWNRLYFDXRPT-LBPRGKRZSA-N 0 3 359.442 2.202 10 0 FEAEHN C[C@H](NC(=O)CN1CCO[C@H](CN(C)C)C1)c1ccc(Cl)cc1Cl ZINC000155378132 545519733 /nfs/dbraw/zinc/51/97/33/545519733.db2.gz YMEOPBMMKBQQJT-GXTWGEPZSA-N 0 3 374.312 2.433 10 0 FEAEHN CCc1noc(C)c1NC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000155611706 545549127 /nfs/dbraw/zinc/54/91/27/545549127.db2.gz WYLIDOBFXKXRES-UHFFFAOYSA-N 0 3 360.462 2.370 10 0 FEAEHN COc1ccnc(N2CCN(CCN(C)Cc3ccc(F)cc3)CC2)c1 ZINC000159279697 545938864 /nfs/dbraw/zinc/93/88/64/545938864.db2.gz RYPFYBAKXPBKGX-UHFFFAOYSA-N 0 3 358.461 2.483 10 0 FEAEHN CN(C(=O)C[C@H]1CSCCN1)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000170681321 546169911 /nfs/dbraw/zinc/16/99/11/546169911.db2.gz VIJPIRGUFSRUDJ-DOTOQJQBSA-N 0 3 360.458 2.259 10 0 FEAEHN COC(=O)[C@@H]1CCCN(C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000171059148 546188843 /nfs/dbraw/zinc/18/88/43/546188843.db2.gz ZXCREKMJYNYDPZ-OCCSQVGLSA-N 0 3 361.360 2.330 10 0 FEAEHN O=C(CC[C@@H]1CCOC1)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000176224563 546421204 /nfs/dbraw/zinc/42/12/04/546421204.db2.gz UUKJATUYZHPFIX-UYAOXDASSA-N 0 3 360.498 2.365 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc(NS(=O)(=O)CC)cc1 ZINC000176355003 546435248 /nfs/dbraw/zinc/43/52/48/546435248.db2.gz KAOCUCWFDNCCRY-INIZCTEOSA-N 0 3 368.503 2.396 10 0 FEAEHN CCc1cc(N2CCC[C@H](NC(=O)N(C)C[C@@H]3CCCN3CC)C2)ncn1 ZINC000176357711 546435449 /nfs/dbraw/zinc/43/54/49/546435449.db2.gz IBMSYZWQAWRLRH-ROUUACIJSA-N 0 3 374.533 2.134 10 0 FEAEHN COCCCOc1cc(C)ccc1CNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000176442023 546446860 /nfs/dbraw/zinc/44/68/60/546446860.db2.gz XZTQGVSUGIVHCH-GOSISDBHSA-N 0 3 361.486 2.400 10 0 FEAEHN Cc1ncc(-c2ccc(NC(=O)C(=O)N[C@H]3CN(C(C)C)C[C@@H]3C)cc2)o1 ZINC000176754834 546484653 /nfs/dbraw/zinc/48/46/53/546484653.db2.gz PFQFOYIALQLINW-GUYCJALGSA-N 0 3 370.453 2.433 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000177003028 546521981 /nfs/dbraw/zinc/52/19/81/546521981.db2.gz JSYNBAXOZVOQQO-HOTGVXAUSA-N 0 3 353.532 2.021 10 0 FEAEHN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N[C@H]1CCCN(CC)C1 ZINC000177268347 546583119 /nfs/dbraw/zinc/58/31/19/546583119.db2.gz MYACPNPEZGNFIT-HNNXBMFYSA-N 0 3 362.474 2.393 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000177304098 546591199 /nfs/dbraw/zinc/59/11/99/546591199.db2.gz DWHHJNHFTQSLCD-YJBOKZPZSA-N 0 3 356.474 2.454 10 0 FEAEHN CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000177394689 546608320 /nfs/dbraw/zinc/60/83/20/546608320.db2.gz HOMWUEQTUKSZHX-IBGZPJMESA-N 0 3 372.513 2.164 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1[C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000178300230 546771718 /nfs/dbraw/zinc/77/17/18/546771718.db2.gz RKAFRKQFAJUTNZ-YOEHRIQHSA-N 0 3 355.442 2.393 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000178627202 546822963 /nfs/dbraw/zinc/82/29/63/546822963.db2.gz NTAKZMLMYRVAFO-CQSZACIVSA-N 0 3 369.412 2.463 10 0 FEAEHN Cc1nn(C)c(OCC(F)(F)F)c1CN1CC[C@H](c2cnn(C)c2)C1 ZINC000179808808 547015195 /nfs/dbraw/zinc/01/51/95/547015195.db2.gz FSHHNGSHXRQGKH-LBPRGKRZSA-N 0 3 357.380 2.393 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000180011875 547038045 /nfs/dbraw/zinc/03/80/45/547038045.db2.gz OGDWOTQCTMMPAP-LSDHHAIUSA-N 0 3 361.269 2.206 10 0 FEAEHN COCCn1ccc2ccc(NC(=O)N3CCO[C@@H](CN(C)C)C3)cc21 ZINC000181289547 547287724 /nfs/dbraw/zinc/28/77/24/547287724.db2.gz PAQGNRZFUUJXQX-KRWDZBQOSA-N 0 3 360.458 2.082 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)CCOc1cccc(C(N)=O)c1 ZINC000182530471 547508340 /nfs/dbraw/zinc/50/83/40/547508340.db2.gz ZRXSUOHYTBDRNQ-INIZCTEOSA-N 0 3 369.465 2.191 10 0 FEAEHN C[C@@H](O)CN1CCN(CCc2cc(Cl)c3c(c2)OCCCO3)C[C@@H]1C ZINC000182753927 547547698 /nfs/dbraw/zinc/54/76/98/547547698.db2.gz SWUJHQUTBFYLLJ-LSDHHAIUSA-N 0 3 368.905 2.431 10 0 FEAEHN C[C@H](NCC(=O)NCCc1ccc(OC(F)(F)F)cc1)[C@H]1CCCO1 ZINC000183157300 547612301 /nfs/dbraw/zinc/61/23/01/547612301.db2.gz KWAVFDZHDCADGA-SWLSCSKDSA-N 0 3 360.376 2.401 10 0 FEAEHN CN(C)CCOc1cc(CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)ccn1 ZINC000183403476 547651440 /nfs/dbraw/zinc/65/14/40/547651440.db2.gz MNMWOJADSJOTKU-QGZVFWFLSA-N 0 3 372.473 2.182 10 0 FEAEHN COc1cccc([C@H](CNC(=O)NC[C@@H]2CCCN2C)N2CCCC2)c1 ZINC000195122593 548580717 /nfs/dbraw/zinc/58/07/17/548580717.db2.gz DHEYMEQWKYMDTJ-HKUYNNGSSA-N 0 3 360.502 2.226 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000195294876 548614437 /nfs/dbraw/zinc/61/44/37/548614437.db2.gz BJNLZINAQZSVKQ-KRWDZBQOSA-N 0 3 366.469 2.424 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(CC(=O)NCc2ccccc2F)C1 ZINC000195300747 548616097 /nfs/dbraw/zinc/61/60/97/548616097.db2.gz MDOPQQVUSKQNAW-GOSISDBHSA-N 0 3 370.472 2.291 10 0 FEAEHN C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCC(c2ccn[nH]2)CC1 ZINC000195505606 548652284 /nfs/dbraw/zinc/65/22/84/548652284.db2.gz UHHLFEJKTXDYMI-AWEZNQCLSA-N 0 3 355.442 2.004 10 0 FEAEHN CCC[C@H](N)C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000236852340 548783324 /nfs/dbraw/zinc/78/33/24/548783324.db2.gz MFLPWWZAXWFQPD-KRWDZBQOSA-N 0 3 352.910 2.096 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000245424487 548914502 /nfs/dbraw/zinc/91/45/02/548914502.db2.gz COPJWTYGCGSJBF-BBRMVZONSA-N 0 3 351.878 2.401 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000245652699 548966036 /nfs/dbraw/zinc/96/60/36/548966036.db2.gz FAHHSTIDWCTRFF-JCGIZDLHSA-N 0 3 366.456 2.494 10 0 FEAEHN CC[C@H]1CN(Cc2c[nH]nc2-c2ccc(OC)cc2)CCN1C[C@H](C)O ZINC000245693390 548976650 /nfs/dbraw/zinc/97/66/50/548976650.db2.gz BUOYTQNGSQCHJK-YJBOKZPZSA-N 0 3 358.486 2.362 10 0 FEAEHN CCc1csc([C@H]2CCCN(C[C@@H](O)COC3CCOCC3)C2)n1 ZINC000245871292 549007232 /nfs/dbraw/zinc/00/72/32/549007232.db2.gz OOHIQODCPIBARJ-GOEBONIOSA-N 0 3 354.516 2.441 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000245893921 549012795 /nfs/dbraw/zinc/01/27/95/549012795.db2.gz MQJUXPQTRIGNAR-ICSRJNTNSA-N 0 3 374.529 2.013 10 0 FEAEHN CN(C)C[C@H]1CN(CC(=O)N[C@H](c2cccs2)C(C)(C)C)CCO1 ZINC000245904583 549015676 /nfs/dbraw/zinc/01/56/76/549015676.db2.gz HESIROSCTJISOZ-WMLDXEAASA-N 0 3 353.532 2.214 10 0 FEAEHN Cc1nc(C)n(C[C@@H]2CCCN(C[C@H](O)COc3cccc(C)c3)C2)n1 ZINC000246217533 549081507 /nfs/dbraw/zinc/08/15/07/549081507.db2.gz AXHWVLMQGUBKGI-MOPGFXCFSA-N 0 3 358.486 2.355 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000246318003 549104233 /nfs/dbraw/zinc/10/42/33/549104233.db2.gz FHTVOAOMMKXYFJ-SMDDNHRTSA-N 0 3 368.275 2.233 10 0 FEAEHN CN(Cc1ccccc1Br)C(=O)CN1CCN2CCC[C@H]2C1 ZINC000246335679 549108904 /nfs/dbraw/zinc/10/89/04/549108904.db2.gz LLDQXRQYKDUVMX-HNNXBMFYSA-N 0 3 366.303 2.188 10 0 FEAEHN C[C@@H](CNC(=O)N1CCN2CCCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000246360668 549113646 /nfs/dbraw/zinc/11/36/46/549113646.db2.gz FCZCDNIKXZFHAK-PXNSSMCTSA-N 0 3 356.514 2.313 10 0 FEAEHN C[C@@H](NC(=O)CN1CCO[C@@H](CN(C)C)C1)c1ccc2ccccc2c1 ZINC000246368046 549116251 /nfs/dbraw/zinc/11/62/51/549116251.db2.gz NUTPFICWESKTRY-UZLBHIALSA-N 0 3 355.482 2.279 10 0 FEAEHN O=C1CCCN1C[C@H](O)CN1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000246400520 549125418 /nfs/dbraw/zinc/12/54/18/549125418.db2.gz IRXOFKUSYGFVQS-OCCSQVGLSA-N 0 3 373.280 2.430 10 0 FEAEHN Cc1nc(C)n(C[C@@H]2CCCN(C[C@@H](O)COc3ccccc3F)C2)n1 ZINC000246414943 549128324 /nfs/dbraw/zinc/12/83/24/549128324.db2.gz QXWVDBMSIYCZKJ-IAGOWNOFSA-N 0 3 362.449 2.186 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000246423246 549129387 /nfs/dbraw/zinc/12/93/87/549129387.db2.gz MRNIEEYMQZLOIZ-SMDDNHRTSA-N 0 3 368.275 2.233 10 0 FEAEHN O=C1CCCN1C[C@H](O)CN1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000246428079 549131255 /nfs/dbraw/zinc/13/12/55/549131255.db2.gz CLDDBYVDXTXVSL-BBWFWOEESA-N 0 3 366.527 2.400 10 0 FEAEHN C[C@@H]1CN(C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000246604645 549173053 /nfs/dbraw/zinc/17/30/53/549173053.db2.gz HKAADJFOCWLTGM-HFTRVMKXSA-N 0 3 372.431 2.261 10 0 FEAEHN Cc1ccc(CNC(=O)c2nnc(CN3CCN4CCC[C@H]4C3)s2)cc1 ZINC000246767278 549207964 /nfs/dbraw/zinc/20/79/64/549207964.db2.gz YMXWABLKPBQUGG-INIZCTEOSA-N 0 3 371.510 2.057 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000246914754 549241926 /nfs/dbraw/zinc/24/19/26/549241926.db2.gz YLRGCDLIWYVWEN-LPHOPBHVSA-N 0 3 355.482 2.234 10 0 FEAEHN COc1ccccc1N1CCN(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)CC1 ZINC000247356440 549323641 /nfs/dbraw/zinc/32/36/41/549323641.db2.gz OGUUNIPVQZQIMR-IAGOWNOFSA-N 0 3 360.502 2.256 10 0 FEAEHN CN(C)[C@H](CNC(=O)N1CCN2CCC[C@H]2C1)c1ccccc1Cl ZINC000247596881 549365340 /nfs/dbraw/zinc/36/53/40/549365340.db2.gz SPHJJWGAFZGQEA-WMLDXEAASA-N 0 3 350.894 2.432 10 0 FEAEHN Cc1ccc(CCN(C[C@@H](O)CN2CCCC2=O)C[C@H]2CCCO2)cc1 ZINC000247642862 549368188 /nfs/dbraw/zinc/36/81/88/549368188.db2.gz TWYIWAJYWPSDJG-WOJBJXKFSA-N 0 3 360.498 2.002 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000248469469 549446491 /nfs/dbraw/zinc/44/64/91/549446491.db2.gz UQORQGXXQGCRND-STQMWFEESA-N 0 3 360.426 2.188 10 0 FEAEHN CC(C)N(C)C(=O)[C@@H](C)N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248602292 549466272 /nfs/dbraw/zinc/46/62/72/549466272.db2.gz OGHKAEKGFDLJNV-FXUDXRNXSA-N 0 3 353.507 2.477 10 0 FEAEHN CN([C@H]1CCCN(c2cccnn2)C1)[C@H]1CCc2ccccc2NC1=O ZINC000248821134 549506937 /nfs/dbraw/zinc/50/69/37/549506937.db2.gz FSDKVGCITNOUPV-WMZOPIPTSA-N 0 3 351.454 2.331 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc(N3C[C@@H](C)O[C@H](C)C3)ccn2)C1 ZINC000248835896 549510043 /nfs/dbraw/zinc/51/00/43/549510043.db2.gz OBNGMSDODLUMTL-WFXMFSGNSA-N 0 3 360.502 2.154 10 0 FEAEHN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000248923069 549528651 /nfs/dbraw/zinc/52/86/51/549528651.db2.gz FKZCYHFQEWUSKV-UXHICEINSA-N 0 3 374.529 2.453 10 0 FEAEHN COC(=O)[C@H](C)CNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000249113160 549554868 /nfs/dbraw/zinc/55/48/68/549554868.db2.gz RIMBFICJDFBFHB-BPLDGKMQSA-N 0 3 372.387 2.222 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249296652 549577833 /nfs/dbraw/zinc/57/78/33/549577833.db2.gz MOAMDYOCQVFJBR-VQTJNVASSA-N 0 3 369.513 2.075 10 0 FEAEHN Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCN4CCC[C@H]4C3)C2)cc1 ZINC000249831349 549632736 /nfs/dbraw/zinc/63/27/36/549632736.db2.gz OUBMCMDPGVCWGT-OALUTQOASA-N 0 3 355.482 2.154 10 0 FEAEHN O[C@H](COCc1ccccc1Cl)CN1CCC[C@@H](n2cncn2)C1 ZINC000252692299 549676837 /nfs/dbraw/zinc/67/68/37/549676837.db2.gz UFSNEGYEUPMFQJ-CVEARBPZSA-N 0 3 350.850 2.146 10 0 FEAEHN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)C2(N)CCOCC2)CC1 ZINC000261651829 549739070 /nfs/dbraw/zinc/73/90/70/549739070.db2.gz AOSDNCAGUNGMED-QGZVFWFLSA-N 0 3 367.440 2.068 10 0 FEAEHN CCCOc1ccc([C@H](C)NC(=O)[C@@H](N)C2CCOCC2)cc1OC ZINC000261891378 549767130 /nfs/dbraw/zinc/76/71/30/549767130.db2.gz VPJPPDFHTSYKSI-UGSOOPFHSA-N 0 3 350.459 2.415 10 0 FEAEHN Cc1cc(C)n(Cc2cccc(-c3nc([C@@H]4CNCCN4C)no3)c2)n1 ZINC000263146577 549881191 /nfs/dbraw/zinc/88/11/91/549881191.db2.gz CSLXBCPXMGYYJG-KRWDZBQOSA-N 0 3 352.442 2.174 10 0 FEAEHN C[C@H]1CN(C2CCN(c3nc(C(F)(F)F)nc4[nH]cnc43)CC2)CCO1 ZINC000301092078 553621311 /nfs/dbraw/zinc/62/13/11/553621311.db2.gz OATMJJBOWVAPPI-JTQLQIEISA-N 0 3 370.379 2.061 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000114825231 670893874 /nfs/dbraw/zinc/89/38/74/670893874.db2.gz SDSRZACWMZSFBD-LSDHHAIUSA-N 0 3 354.495 2.169 10 0 FEAEHN C[C@@H](O)C1CCN(Cn2nc(Br)c(=O)c3ccccc32)CC1 ZINC000124197427 671992873 /nfs/dbraw/zinc/99/28/73/671992873.db2.gz LJUCBTLGRHDGPU-LLVKDONJSA-N 0 3 366.259 2.209 10 0 FEAEHN CN(C)C[C@H](NC(=O)NCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC000160992271 672294995 /nfs/dbraw/zinc/29/49/95/672294995.db2.gz XVJMCPMCEVRAQB-HNNXBMFYSA-N 0 3 350.463 2.113 10 0 FEAEHN CCCC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000182548248 672447917 /nfs/dbraw/zinc/44/79/17/672447917.db2.gz KSPYMSFVUWMVME-RDJZCZTQSA-N 0 3 363.527 2.325 10 0 FEAEHN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H]1CCCN1C ZINC000194731766 672766713 /nfs/dbraw/zinc/76/67/13/672766713.db2.gz GSSRBIRHNANHTK-HZPDHXFCSA-N 0 3 351.878 2.305 10 0 FEAEHN C[C@H](O)CN1CCN(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000246023213 672828468 /nfs/dbraw/zinc/82/84/68/672828468.db2.gz MAGLLKDUGKQDNG-ULQDDVLXSA-N 0 3 355.523 2.020 10 0 FEAEHN CO[C@@H]1CCN([C@H]2CCC[C@H]2NC(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000888078955 688545295 /nfs/dbraw/zinc/54/52/95/688545295.db2.gz NBUDAHVJVGUWHU-MCIONIFRSA-N 0 3 357.376 2.472 10 0 FEAEHN CN(C)C[C@H](NC(=O)NCc1nnc2n1CCCCC2)c1ccccc1 ZINC000043780035 540109132 /nfs/dbraw/zinc/10/91/32/540109132.db2.gz HEFGPRMUPRSEEN-INIZCTEOSA-N 0 3 356.474 2.107 10 0 FEAEHN Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCN(C)C2)ccc1Br ZINC000071192995 541765984 /nfs/dbraw/zinc/76/59/84/541765984.db2.gz RRYYXFVEVCTHEO-GFCCVEGCSA-N 0 3 361.305 2.330 10 0 FEAEHN COCCN1C(=O)N(CCc2ccccc2)C2(CCN(C(C)C)CC2)C1=O ZINC000014749290 220132160 /nfs/dbraw/zinc/13/21/60/220132160.db2.gz WJRNRSLDXHSEBI-UHFFFAOYSA-N 0 3 373.497 2.383 10 0 FEAEHN COc1ccc(Cn2c(=O)c3sccc3nc2N2CCNCC2)cc1F ZINC000057344442 132376366 /nfs/dbraw/zinc/37/63/66/132376366.db2.gz MHSFNRWLGSWHPM-UHFFFAOYSA-N 0 3 374.441 2.064 10 0 FEAEHN CCC[C@@H](C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1)N(C)C ZINC000094132727 542953169 /nfs/dbraw/zinc/95/31/69/542953169.db2.gz PXIJIUOJJJZCSQ-SFHVURJKSA-N 0 3 360.502 2.181 10 0 FEAEHN C[C@@H](NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000098144183 543023703 /nfs/dbraw/zinc/02/37/03/543023703.db2.gz AHTHLPQUAKCPMP-BEFAXECRSA-N 0 3 354.450 2.485 10 0 FEAEHN C[C@@H]1Oc2c(cccc2C(=O)N[C@@H](CN(C)C)c2ccccc2)NC1=O ZINC000104216807 543126014 /nfs/dbraw/zinc/12/60/14/543126014.db2.gz FWSSLRYWKVSMAG-GUYCJALGSA-N 0 3 353.422 2.439 10 0 FEAEHN COc1cccc([C@@H](CNC(=O)N2CCN3CCCC[C@@H]3C2)N(C)C)c1 ZINC000105083151 543157853 /nfs/dbraw/zinc/15/78/53/543157853.db2.gz ZXROHYIWHWSEAP-IEBWSBKVSA-N 0 3 360.502 2.178 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000105148648 543161528 /nfs/dbraw/zinc/16/15/28/543161528.db2.gz POXFRRIRDPNWBP-IAGOWNOFSA-N 0 3 360.502 2.347 10 0 FEAEHN COCCN1CCN(CCC(=O)Nc2cc(Cl)ccc2OC)C[C@H]1C ZINC000106108299 543198741 /nfs/dbraw/zinc/19/87/41/543198741.db2.gz VVDVYDGYZRGGMG-CQSZACIVSA-N 0 3 369.893 2.330 10 0 FEAEHN CC[C@@H]1CN(CCC(=O)N[C@@H]2CCCc3ccccc32)CCN1C[C@@H](C)O ZINC000106102799 543197175 /nfs/dbraw/zinc/19/71/75/543197175.db2.gz XOQUGQCECCGKIP-YFVAEKQCSA-N 0 3 373.541 2.347 10 0 FEAEHN CC[C@@H]1CN(CCC(=O)Nc2ccccc2Cl)CCN1C[C@@H](C)O ZINC000106102736 543197291 /nfs/dbraw/zinc/19/72/91/543197291.db2.gz DENKGMFTGQBNSY-HUUCEWRRSA-N 0 3 353.894 2.446 10 0 FEAEHN Cn1cc(CN2CCCN(CCC(=O)Nc3ccc(F)cc3)CC2)cn1 ZINC000106154933 543209456 /nfs/dbraw/zinc/20/94/56/543209456.db2.gz YRDYJJWXTYGYLS-UHFFFAOYSA-N 0 3 359.449 2.096 10 0 FEAEHN C[C@H](CN1CCOCC1)N(Cc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000108492361 543292070 /nfs/dbraw/zinc/29/20/70/543292070.db2.gz GXKURZWNEGOEIJ-QUCCMNQESA-N 0 3 364.530 2.385 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](NCc1cc(C)c(OCC(=O)OC)c(C)c1)CC2 ZINC000109072972 543313439 /nfs/dbraw/zinc/31/34/39/543313439.db2.gz VCQPHUJVPRIGFM-INIZCTEOSA-N 0 3 372.469 2.114 10 0 FEAEHN Cc1c(C(=O)N(C)C2CCN(CCn3cccn3)CC2)cnn1C(C)(C)C ZINC000109293061 543320515 /nfs/dbraw/zinc/32/05/15/543320515.db2.gz VKELJWJRWITSGC-UHFFFAOYSA-N 0 3 372.517 2.380 10 0 FEAEHN CN(C(=O)Nc1cnc(C2CC2)nc1)C1CCN(CCn2cccn2)CC1 ZINC000109385579 543323578 /nfs/dbraw/zinc/32/35/78/543323578.db2.gz HDESCJDESJGMKI-UHFFFAOYSA-N 0 3 369.473 2.179 10 0 FEAEHN COc1ccc2ccccc2c1CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000117029849 543622026 /nfs/dbraw/zinc/62/20/26/543622026.db2.gz BYNFQQFEWVPKRX-INIZCTEOSA-N 0 3 357.454 2.320 10 0 FEAEHN C[C@H](C(=O)N1C[C@H]2CCCN2C[C@H]1C)N1CCN(c2ccc(F)cc2)CC1 ZINC000117805089 543640643 /nfs/dbraw/zinc/64/06/43/543640643.db2.gz ZCBPCIULDNUTTR-MBOZVWFJSA-N 0 3 374.504 2.031 10 0 FEAEHN Cc1ccc(-c2nnn(CC(=O)N[C@@H](CN(C)C)c3ccccc3)n2)cc1 ZINC000123466965 543763630 /nfs/dbraw/zinc/76/36/30/543763630.db2.gz DIPUUTIPXUWSLE-SFHVURJKSA-N 0 3 364.453 2.068 10 0 FEAEHN Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CC[C@H](c2cnn(C)c2)C1 ZINC000128456136 544053632 /nfs/dbraw/zinc/05/36/32/544053632.db2.gz IWHTYRGKNRPAGF-INIZCTEOSA-N 0 3 359.474 2.175 10 0 FEAEHN COc1ccc(Cn2cc(C(=O)N[C@@H]3CN(C(C)C)C[C@H]3C)cn2)cc1 ZINC000247499274 549344738 /nfs/dbraw/zinc/34/47/38/549344738.db2.gz XLOKSKQPCPPLMM-DNVCBOLYSA-N 0 3 356.470 2.399 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1 ZINC000132170138 544221885 /nfs/dbraw/zinc/22/18/85/544221885.db2.gz AWMMRHAHNFMASX-APWZRJJASA-N 0 3 372.513 2.319 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCC(c3nnc4ccccn43)CC2)C1 ZINC000132271562 544225298 /nfs/dbraw/zinc/22/52/98/544225298.db2.gz QPWUODRYCJCSTO-WBVHZDCISA-N 0 3 370.501 2.347 10 0 FEAEHN CCCCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)C1 ZINC000132517039 544234019 /nfs/dbraw/zinc/23/40/19/544234019.db2.gz KTUPFIKHPFKSLE-BBWFWOEESA-N 0 3 352.523 2.053 10 0 FEAEHN C[C@@H](NC(=O)N1CCN2CCC[C@H]2C1)c1cccc(N2CCOC2=O)c1 ZINC000247501328 549346811 /nfs/dbraw/zinc/34/68/11/549346811.db2.gz NPWHJNNTRNIBMW-PBHICJAKSA-N 0 3 358.442 2.194 10 0 FEAEHN CCC[C@H](C(=O)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1)N(C)C ZINC000135446597 544347465 /nfs/dbraw/zinc/34/74/65/544347465.db2.gz OHZZUZAAELEAOR-RDTXWAMCSA-N 0 3 361.486 2.252 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)[C@@H](C)C1 ZINC000150801897 544473953 /nfs/dbraw/zinc/47/39/53/544473953.db2.gz CDVDFCOCVBLWTN-LRDDRELGSA-N 0 3 370.453 2.489 10 0 FEAEHN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cccc(CN(C)C)c1 ZINC000152449181 544655491 /nfs/dbraw/zinc/65/54/91/544655491.db2.gz FIWPIGYZFRKQNT-HNNXBMFYSA-N 0 3 358.446 2.143 10 0 FEAEHN C[C@H](NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000154504466 544913327 /nfs/dbraw/zinc/91/33/27/544913327.db2.gz BTPUEUFCHOCZPD-IPYPFGDCSA-N 0 3 365.499 2.076 10 0 FEAEHN C[C@H](NC(=O)NC[C@H](O)CN1CCCCC1)c1ccccc1-n1cccn1 ZINC000154573471 544923037 /nfs/dbraw/zinc/92/30/37/544923037.db2.gz DDZQRYSWFASQLB-IRXDYDNUSA-N 0 3 371.485 2.079 10 0 FEAEHN C[C@H](NC(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1-n1cccn1 ZINC000154573677 544923421 /nfs/dbraw/zinc/92/34/21/544923421.db2.gz DDZQRYSWFASQLB-DLBZAZTESA-N 0 3 371.485 2.079 10 0 FEAEHN CCOCCN1CCN(C[C@H](O)COc2cccc(C)c2)C[C@@H]1CC ZINC000155101260 544990277 /nfs/dbraw/zinc/99/02/77/544990277.db2.gz QBBHXCCMJTWUQF-OALUTQOASA-N 0 3 350.503 2.167 10 0 FEAEHN COc1ccc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)cc1Br ZINC000155074323 544985628 /nfs/dbraw/zinc/98/56/28/544985628.db2.gz AHDXVBQPGAUXGG-CHWSQXEVSA-N 0 3 357.292 2.345 10 0 FEAEHN CN(C(=O)C[C@@H](O)c1cccc(F)c1)C1CCN(CCn2cccn2)CC1 ZINC000179832026 327661857 /nfs/dbraw/zinc/66/18/57/327661857.db2.gz GCSNVZJPUNHYLB-LJQANCHMSA-N 0 3 374.460 2.069 10 0 FEAEHN CC[C@@H](CSC)NC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000179951066 327665675 /nfs/dbraw/zinc/66/56/75/327665675.db2.gz LLZMUPJJKBKJIR-HNNXBMFYSA-N 0 3 353.536 2.131 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)CC2 ZINC000180642829 327695154 /nfs/dbraw/zinc/69/51/54/327695154.db2.gz OGFUIPJOWDYIEH-ZFWWWQNUSA-N 0 3 362.499 2.471 10 0 FEAEHN CC(C)CNC(=O)NC(=O)[C@H](C)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000180672473 327696842 /nfs/dbraw/zinc/69/68/42/327696842.db2.gz ZISVTTCGWZTMHZ-CABCVRRESA-N 0 3 357.458 2.393 10 0 FEAEHN CN(C)C[C@H]1CN([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCO1 ZINC000181102228 327716316 /nfs/dbraw/zinc/71/63/16/327716316.db2.gz KCKKXYBZVQEHSB-XJKSGUPXSA-N 0 3 372.296 2.361 10 0 FEAEHN Cc1cc(Br)ccc1CC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000181977045 327755317 /nfs/dbraw/zinc/75/53/17/327755317.db2.gz ICUDABYKKGPQMY-OAHLLOKOSA-N 0 3 355.276 2.089 10 0 FEAEHN C[C@H](NCCS(=O)(=O)c1cccc(Br)c1)[C@@H]1CCCO1 ZINC000183110196 327802010 /nfs/dbraw/zinc/80/20/10/327802010.db2.gz VSFJANPTDLGCDZ-FZMZJTMJSA-N 0 3 362.289 2.380 10 0 FEAEHN C[C@H](NCC(=O)Nc1ccccc1I)[C@@H]1CCCO1 ZINC000183139411 327803469 /nfs/dbraw/zinc/80/34/69/327803469.db2.gz PIGWPUIZUWUXOG-GWCFXTLKSA-N 0 3 374.222 2.387 10 0 FEAEHN C[C@@H](NCC(=O)NCCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCO1 ZINC000183157279 327804618 /nfs/dbraw/zinc/80/46/18/327804618.db2.gz KWAVFDZHDCADGA-DOMZBBRYSA-N 0 3 360.376 2.401 10 0 FEAEHN CSc1ccc(S(=O)(=O)N2CCO[C@@H](CN(C)C)C2)cc1Cl ZINC000185651797 327926330 /nfs/dbraw/zinc/92/63/30/327926330.db2.gz UJHXJJLNGSPHKT-NSHDSACASA-N 0 3 364.920 2.013 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2c[nH]nc2-c2cc3ccccc3o2)CCO1 ZINC000187070044 328000499 /nfs/dbraw/zinc/00/04/99/328000499.db2.gz ABLYNEWMLUACPP-CQSZACIVSA-N 0 3 354.410 2.226 10 0 FEAEHN Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC[C@@H]1Cn1ccnc1 ZINC000188420322 328085817 /nfs/dbraw/zinc/08/58/17/328085817.db2.gz OMEPNGPATQYPKD-QGZVFWFLSA-N 0 3 359.474 2.313 10 0 FEAEHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCN3CCC2CC3)C1 ZINC000188608215 328098209 /nfs/dbraw/zinc/09/82/09/328098209.db2.gz YLKBZQKJPPYLJG-LSDHHAIUSA-N 0 3 351.491 2.377 10 0 FEAEHN CCn1cnnc1[C@@H]1CCCN(CCC(=O)N2CCc3ccccc3C2)C1 ZINC000188989578 328121761 /nfs/dbraw/zinc/12/17/61/328121761.db2.gz PORCNVJAOSWETH-LJQANCHMSA-N 0 3 367.497 2.452 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cnc(Cl)cc1C ZINC000190340681 328201094 /nfs/dbraw/zinc/20/10/94/328201094.db2.gz GWTGBJXEDMUAJC-CHWSQXEVSA-N 0 3 350.850 2.067 10 0 FEAEHN CCn1cc([C@@H]2CN(C(=O)NC[C@H](c3ccccc3)N(C)C)CCO2)cn1 ZINC000190357722 328202845 /nfs/dbraw/zinc/20/28/45/328202845.db2.gz QDUFGDUGCYGPFP-MOPGFXCFSA-N 0 3 371.485 2.289 10 0 FEAEHN COc1ccc(CNC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)cn1 ZINC000190688595 328224898 /nfs/dbraw/zinc/22/48/98/328224898.db2.gz IMVIAPWOEQGYDN-GOSISDBHSA-N 0 3 369.469 2.149 10 0 FEAEHN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000190804409 328233358 /nfs/dbraw/zinc/23/33/58/328233358.db2.gz BRHYLMMCOPZFGA-ROUUACIJSA-N 0 3 359.470 2.273 10 0 FEAEHN COCCc1ccccc1NC(=O)C(=O)NC[C@H]1CCCN1CC(C)C ZINC000190904844 328239381 /nfs/dbraw/zinc/23/93/81/328239381.db2.gz AXQZTGRXCPXCJR-QGZVFWFLSA-N 0 3 361.486 2.051 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@H]1CCN(c3c(C)cc(C)cc3C)C1=O)CC2 ZINC000190966655 328242699 /nfs/dbraw/zinc/24/26/99/328242699.db2.gz UOJUMBAPHSDHEU-IRXDYDNUSA-N 0 3 367.497 2.476 10 0 FEAEHN CNC(=O)[C@H](NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)C(C)C ZINC000192663319 328331716 /nfs/dbraw/zinc/33/17/16/328331716.db2.gz LUDTYIROFUESFI-GOEBONIOSA-N 0 3 366.531 2.030 10 0 FEAEHN COCc1nsc(N2CC[C@H](CN(C)Cc3scnc3C)C2)n1 ZINC000192790712 328339800 /nfs/dbraw/zinc/33/98/00/328339800.db2.gz WSOZECWYVCGNMS-GFCCVEGCSA-N 0 3 353.517 2.408 10 0 FEAEHN COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[NH2+][C@H]2C)cc1Cl ZINC000193455857 328376459 /nfs/dbraw/zinc/37/64/59/328376459.db2.gz VWSYNCHNUUTPRT-KWQFWETISA-N 0 3 353.271 2.421 10 0 FEAEHN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)C1 ZINC000193635432 328386860 /nfs/dbraw/zinc/38/68/60/328386860.db2.gz MZJRZUNYASACSB-FRQCXROJSA-N 0 3 353.507 2.336 10 0 FEAEHN CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)cc1 ZINC000193802956 328396371 /nfs/dbraw/zinc/39/63/71/328396371.db2.gz HIMIWVHMGLGFBO-MRXNPFEDSA-N 0 3 362.474 2.066 10 0 FEAEHN CC(C)N1CCN(C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000045821878 324588436 /nfs/dbraw/zinc/58/84/36/324588436.db2.gz SWKMMWLLVDIOFB-HNNXBMFYSA-N 0 3 357.292 2.215 10 0 FEAEHN CN(C)C[C@@H](NC(=O)NCCNC(=O)c1ccc(F)cc1)c1ccccc1 ZINC000056824119 324813363 /nfs/dbraw/zinc/81/33/63/324813363.db2.gz OADPQAMGGRRAKE-GOSISDBHSA-N 0 3 372.444 2.158 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000237056024 328502917 /nfs/dbraw/zinc/50/29/17/328502917.db2.gz JDZJPTDXQUXQCC-SUMWQHHRSA-N 0 3 363.893 2.005 10 0 FEAEHN CN(C)CCN1CCC(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000079089503 325076167 /nfs/dbraw/zinc/07/61/67/325076167.db2.gz DZUYIFVRJXDQGE-DZGCQCFKSA-N 0 3 364.456 2.433 10 0 FEAEHN COCCOc1cccc(CN[C@@H]2CCCN(c3cc(C)nn3C)C2=O)c1 ZINC000080527006 325134768 /nfs/dbraw/zinc/13/47/68/325134768.db2.gz DIOZXHVXKVRIID-GOSISDBHSA-N 0 3 372.469 2.039 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Br)cc1 ZINC000083551065 325218923 /nfs/dbraw/zinc/21/89/23/325218923.db2.gz QTIWUOFHLPCBIP-DGCLKSJQSA-N 0 3 359.289 2.306 10 0 FEAEHN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCN(C)Cc1ccccc1 ZINC000083696162 325221986 /nfs/dbraw/zinc/22/19/86/325221986.db2.gz TYGXDSNDBOPLPI-KRWDZBQOSA-N 0 3 356.474 2.243 10 0 FEAEHN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000083724797 325223354 /nfs/dbraw/zinc/22/33/54/325223354.db2.gz ABVDHIKNTXTGMC-MSOLQXFVSA-N 0 3 368.485 2.385 10 0 FEAEHN Clc1ccc(C2=NO[C@@H](CN3CCN(C[C@@H]4CCOC4)CC3)C2)cc1 ZINC000091676179 325389482 /nfs/dbraw/zinc/38/94/82/325389482.db2.gz KLJIYWUQVTVXJB-MAUKXSAKSA-N 0 3 363.889 2.487 10 0 FEAEHN CN1CCO[C@@H](CNCC2=Cc3cc(Br)ccc3OC2)C1 ZINC000105471041 325567417 /nfs/dbraw/zinc/56/74/17/325567417.db2.gz KQMSHPDLUWEJIV-HNNXBMFYSA-N 0 3 353.260 2.145 10 0 FEAEHN CN(C)[C@H](Cc1ccccc1)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000106459134 325599151 /nfs/dbraw/zinc/59/91/51/325599151.db2.gz LNXMWDYFCWKTRF-OAQYLSRUSA-N 0 3 366.509 2.335 10 0 FEAEHN CN(C(=O)Cc1noc2ccccc21)C1CCN(CCn2cccn2)CC1 ZINC000109292090 325663821 /nfs/dbraw/zinc/66/38/21/325663821.db2.gz GNDZBUAJSFEFIO-UHFFFAOYSA-N 0 3 367.453 2.190 10 0 FEAEHN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C)CC2 ZINC000114946213 325935693 /nfs/dbraw/zinc/93/56/93/325935693.db2.gz XXUBQRQBXAZYHY-IAGOWNOFSA-N 0 3 370.501 2.066 10 0 FEAEHN Cc1ccnc(-c2ccc(NC(=O)NC[C@@H](O)CN3CCCCC3)cc2)n1 ZINC000115771962 325975833 /nfs/dbraw/zinc/97/58/33/325975833.db2.gz DXYRTGFQYNNBAU-GOSISDBHSA-N 0 3 369.469 2.420 10 0 FEAEHN CN(C)CCOc1ccccc1CNC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116425686 326013558 /nfs/dbraw/zinc/01/35/58/326013558.db2.gz UTVKTPDCKKOJCG-KRWDZBQOSA-N 0 3 371.485 2.060 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccccc2)CCO1 ZINC000116784364 326034984 /nfs/dbraw/zinc/03/49/84/326034984.db2.gz VARCOFZXOFRBBG-QGZVFWFLSA-N 0 3 367.449 2.342 10 0 FEAEHN Cc1nc(Cc2ccccc2)sc1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000116795568 326036372 /nfs/dbraw/zinc/03/63/72/326036372.db2.gz VFGPHOLFEUDKEQ-MRXNPFEDSA-N 0 3 359.495 2.445 10 0 FEAEHN C[C@@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)c1ccccc1Br ZINC000117025633 326047860 /nfs/dbraw/zinc/04/78/60/326047860.db2.gz ZUZUEVZNLXIAQR-OLZOCXBDSA-N 0 3 370.291 2.482 10 0 FEAEHN CC[C@H]1CN(C(=O)[C@@H](C)N2CCc3ccccc3C2)CCN1CCOC ZINC000117426104 326060978 /nfs/dbraw/zinc/06/09/78/326060978.db2.gz GICAFIRVSXCUQW-XLIONFOSSA-N 0 3 359.514 2.002 10 0 FEAEHN Cc1ccc(N2CC[C@H](N[C@@H]3CCc4nc(C(C)C)nn4C3)C2=O)cc1 ZINC000119229914 326140072 /nfs/dbraw/zinc/14/00/72/326140072.db2.gz NJTCEHMUVBAZPE-WBVHZDCISA-N 0 3 353.470 2.420 10 0 FEAEHN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000119572507 326176671 /nfs/dbraw/zinc/17/66/71/326176671.db2.gz VCMCGSRNCOPJGX-WBVHZDCISA-N 0 3 370.501 2.495 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)Nc1ccccc1OCC(F)F ZINC000120209043 326240967 /nfs/dbraw/zinc/24/09/67/326240967.db2.gz HCHDRYLSQJRKMY-ZDUSSCGKSA-N 0 3 357.401 2.299 10 0 FEAEHN C[C@@H](NC(=O)N1CCN(C2CCCCC2)CC1)c1nnc2n1CCCC2 ZINC000121457670 326340166 /nfs/dbraw/zinc/34/01/66/326340166.db2.gz IXGJOUCMRUSXIW-OAHLLOKOSA-N 0 3 360.506 2.335 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000131711137 326580499 /nfs/dbraw/zinc/58/04/99/326580499.db2.gz QBPUMHYUXRGOCS-NVXWUHKLSA-N 0 3 373.501 2.061 10 0 FEAEHN CCC[C@@H](C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1)N(C)C ZINC000136574133 326653416 /nfs/dbraw/zinc/65/34/16/326653416.db2.gz VRJVYQFMOBHKFR-SFHVURJKSA-N 0 3 363.477 2.411 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N(CCN(C)C)C1CCCC1)CC2 ZINC000150894336 326670356 /nfs/dbraw/zinc/67/03/56/326670356.db2.gz FFBJBCGQQVPTHI-HNNXBMFYSA-N 0 3 362.522 2.232 10 0 FEAEHN Cc1ccc(CCC(=O)NCC(=O)N[C@H](CN(C)C)c2ccccc2)cc1 ZINC000156556070 326835535 /nfs/dbraw/zinc/83/55/35/326835535.db2.gz UAWSPICNKDTPMI-HXUWFJFHSA-N 0 3 367.493 2.463 10 0 FEAEHN CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)N1CCO[C@@H](CN(C)C)C1 ZINC000246232452 328601531 /nfs/dbraw/zinc/60/15/31/328601531.db2.gz CJRLOHSDZAFEHA-HIFRSBDPSA-N 0 3 373.453 2.225 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@H]1CCO[C@@H](C2CC2)C1 ZINC000156824156 326845079 /nfs/dbraw/zinc/84/50/79/326845079.db2.gz YDOHEZGNKATDJB-FUHWJXTLSA-N 0 3 362.518 2.427 10 0 FEAEHN CN(C)C[C@H]1CN(CCc2nc(-c3cccc(Cl)c3)no2)CCO1 ZINC000158005179 326881971 /nfs/dbraw/zinc/88/19/71/326881971.db2.gz JPQBIJOIRABYEC-HNNXBMFYSA-N 0 3 350.850 2.195 10 0 FEAEHN O=C([C@H]1CC(=O)Nc2ccccc21)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000158373700 326893814 /nfs/dbraw/zinc/89/38/14/326893814.db2.gz FYGVJSFZAJGFGB-WMZOPIPTSA-N 0 3 371.481 2.216 10 0 FEAEHN CCC[C@H](C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1)N(C)C ZINC000161780704 327008815 /nfs/dbraw/zinc/00/88/15/327008815.db2.gz DKHPKAPTNHUDPN-MRXNPFEDSA-N 0 3 362.470 2.310 10 0 FEAEHN O=S(=O)([N-]CC[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1F ZINC000161909744 327012369 /nfs/dbraw/zinc/01/23/69/327012369.db2.gz KTFCVDRYOPQEKN-JTQLQIEISA-N 0 3 365.268 2.256 10 0 FEAEHN CCC[C@H](C(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1)N(C)C ZINC000161929835 327012797 /nfs/dbraw/zinc/01/27/97/327012797.db2.gz ROPUZOVMTMHELP-HZPDHXFCSA-N 0 3 350.438 2.278 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)C1 ZINC000170835584 327101241 /nfs/dbraw/zinc/10/12/41/327101241.db2.gz HHXXOSREWREDEM-GOSISDBHSA-N 0 3 367.453 2.179 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)C1 ZINC000170857334 327103025 /nfs/dbraw/zinc/10/30/25/327103025.db2.gz IBGOSGWQECXISZ-INIZCTEOSA-N 0 3 359.857 2.326 10 0 FEAEHN Cc1ccc(C(=O)N2CC[C@@H](N(C)C)C2)cc1I ZINC000170868688 327103945 /nfs/dbraw/zinc/10/39/45/327103945.db2.gz SJKSHGSAQDEOAS-GFCCVEGCSA-N 0 3 358.223 2.376 10 0 FEAEHN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@H](CC(C)C)CN(C)C)C2)no1 ZINC000170896368 327106173 /nfs/dbraw/zinc/10/61/73/327106173.db2.gz YVURLVKISRIOIV-JKSUJKDBSA-N 0 3 351.495 2.318 10 0 FEAEHN Cc1nn(C)c2ncc(CN(C)[C@@H]3CCCN(c4cccnn4)C3)cc12 ZINC000170940700 327108664 /nfs/dbraw/zinc/10/86/64/327108664.db2.gz INYXPTIOUUORLS-MRXNPFEDSA-N 0 3 351.458 2.168 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2ccccc2I)C1 ZINC000171068476 327115626 /nfs/dbraw/zinc/11/56/26/327115626.db2.gz YUVPQKKPJKVOOE-SNVBAGLBSA-N 0 3 359.211 2.459 10 0 FEAEHN Cc1cccc2[nH]cc(CCNC(=O)NC[C@H](O)CN3CCCCC3)c21 ZINC000171376670 327135614 /nfs/dbraw/zinc/13/56/14/327135614.db2.gz XIQYCNPCMVIYOS-KRWDZBQOSA-N 0 3 358.486 2.165 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)c2ccc(I)c(F)c2)C1 ZINC000171508392 327142989 /nfs/dbraw/zinc/14/29/89/327142989.db2.gz OMVUYMZJCDUXSN-JTQLQIEISA-N 0 3 362.186 2.206 10 0 FEAEHN O=C(Nc1ccc(NC(=O)N2CCN3CCC[C@@H]3C2)cc1)[C@@H]1CCCO1 ZINC000171888374 327167709 /nfs/dbraw/zinc/16/77/09/327167709.db2.gz SMSINVPYRWZNPA-SJORKVTESA-N 0 3 358.442 2.116 10 0 FEAEHN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000171901001 327168517 /nfs/dbraw/zinc/16/85/17/327168517.db2.gz FJZBIKFGAGBJSJ-CRAIPNDOSA-N 0 3 358.486 2.205 10 0 FEAEHN CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000171906393 327169468 /nfs/dbraw/zinc/16/94/68/327169468.db2.gz FERAKJPBGVMOOR-JKSUJKDBSA-N 0 3 366.506 2.123 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NCc2ccc(Oc3ccccc3)nc2)CCO1 ZINC000172131136 327182666 /nfs/dbraw/zinc/18/26/66/327182666.db2.gz GUCRVYCRFRONFU-SFHVURJKSA-N 0 3 370.453 2.346 10 0 FEAEHN C[C@@H](CNC(=O)NC[C@@H](O)CN1CCCCC1)Sc1ccccc1 ZINC000173313107 327249378 /nfs/dbraw/zinc/24/93/78/327249378.db2.gz DRPOFVCENMTHST-JKSUJKDBSA-N 0 3 351.516 2.313 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000173570355 327267331 /nfs/dbraw/zinc/26/73/31/327267331.db2.gz FMGSGYNIXSHVDC-LVQVYYBASA-N 0 3 351.491 2.375 10 0 FEAEHN CCN(CC)C(=O)[C@H](C)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000173647196 327273686 /nfs/dbraw/zinc/27/36/86/327273686.db2.gz LNAGOOXYMUDFBX-PMPSAXMXSA-N 0 3 353.532 2.356 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000173743969 327280656 /nfs/dbraw/zinc/28/06/56/327280656.db2.gz YLRGCDLIWYVWEN-QFBILLFUSA-N 0 3 355.482 2.234 10 0 FEAEHN C[C@H]1CN(C(=O)c2oc3ccccc3c2CN(C)C)C[C@@H]1N1CCOCC1 ZINC000173979217 327299383 /nfs/dbraw/zinc/29/93/83/327299383.db2.gz ODSLOTVFYRXSGA-YJBOKZPZSA-N 0 3 371.481 2.287 10 0 FEAEHN C[C@@H](CNC(=O)N1CCC[C@H](n2cncn2)C1)N(C)Cc1ccccc1 ZINC000174833489 327353887 /nfs/dbraw/zinc/35/38/87/327353887.db2.gz WHNBGRDIJHHULO-WMZOPIPTSA-N 0 3 356.474 2.145 10 0 FEAEHN CCO[C@@H]1C[C@@H](NC(=O)NC[C@@H](O)CN2CCCCC2)C12CCCCC2 ZINC000246785262 328645183 /nfs/dbraw/zinc/64/51/83/328645183.db2.gz ZRFZKNBLTPXZMG-KZNAEPCWSA-N 0 3 367.534 2.260 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)N[C@H](C)CN2CCCCC2)C12CCOCC2 ZINC000248675725 328734712 /nfs/dbraw/zinc/73/47/12/328734712.db2.gz CVCYQFGGTSUUKJ-IXDOHACOSA-N 0 3 353.507 2.134 10 0 FEAEHN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCO[C@H](CN(C)C)C1 ZINC000248821023 328742561 /nfs/dbraw/zinc/74/25/61/328742561.db2.gz FPDZLYUODAJONH-IUODEOHRSA-N 0 3 361.269 2.470 10 0 FEAEHN C[C@@H](NC(=O)[C@H](N)C1CCOCC1)c1nc2ccccc2n1C(F)F ZINC000261715989 328813987 /nfs/dbraw/zinc/81/39/87/328813987.db2.gz IYMHTXWNCAMBAQ-QMTHXVAHSA-N 0 3 352.385 2.363 10 0 FEAEHN C[NH2+][C@H](C)CNC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000261776459 328818749 /nfs/dbraw/zinc/81/87/49/328818749.db2.gz PSYCCBMUVBESFC-GFCCVEGCSA-N 0 3 373.544 2.087 10 0 FEAEHN CCCOc1ccc([C@@H](C)NC(=O)[C@H](N)C2CCOCC2)cc1OC ZINC000261891376 328827464 /nfs/dbraw/zinc/82/74/64/328827464.db2.gz VPJPPDFHTSYKSI-FZKQIMNGSA-N 0 3 350.459 2.415 10 0 FEAEHN CN(C(=O)Cc1ccc(NC(=O)C2(N)CCOCC2)cc1)c1ccccc1 ZINC000261946063 328830799 /nfs/dbraw/zinc/83/07/99/328830799.db2.gz YHSDZLULYJQOIT-UHFFFAOYSA-N 0 3 367.449 2.339 10 0 FEAEHN N[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)C2CCCC2)C[C@H]1c1ccccc1 ZINC000262190499 328849745 /nfs/dbraw/zinc/84/97/45/328849745.db2.gz JNKFGRWMYMPGGN-IPMKNSEASA-N 0 3 355.482 2.121 10 0 FEAEHN Cn1nc(C2CC[NH2+]CC2)nc1[N-]C(=O)c1cc(-c2ccccc2)no1 ZINC000262407684 328863919 /nfs/dbraw/zinc/86/39/19/328863919.db2.gz RYMNKGOKGIJRCU-UHFFFAOYSA-N 0 3 352.398 2.189 10 0 FEAEHN CN1CCNC[C@H]1c1noc(CCOc2cccc(Br)c2)n1 ZINC000263155748 328920673 /nfs/dbraw/zinc/92/06/73/328920673.db2.gz DKJGOVPRIDRUBA-ZDUSSCGKSA-N 0 3 367.247 2.030 10 0 FEAEHN CN1CCNC[C@H]1c1noc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)n1 ZINC000263236944 328927503 /nfs/dbraw/zinc/92/75/03/328927503.db2.gz ODRXBVSKHNQIDQ-HOCLYGCPSA-N 0 3 370.457 2.057 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2cccc(OCc3cscn3)c2)n1 ZINC000263258756 328928794 /nfs/dbraw/zinc/92/87/94/328928794.db2.gz QRDBSFBVWUJWGW-HNNXBMFYSA-N 0 3 357.439 2.348 10 0 FEAEHN Cc1ccc(-c2cnc(CCc3nc([C@@H]4CNCCN4C)no3)o2)cc1 ZINC000263281199 328930190 /nfs/dbraw/zinc/93/01/90/328930190.db2.gz UHYGHZCXXMUUCC-HNNXBMFYSA-N 0 3 353.426 2.394 10 0 FEAEHN CC(C)(C)OC[C@H](O)CN1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000157694720 545770609 /nfs/dbraw/zinc/77/06/09/545770609.db2.gz COARBKLRWKJXPX-GOSISDBHSA-N 0 3 366.477 2.330 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](C)N1CCC(C)CC1)CC2 ZINC000157921476 545800472 /nfs/dbraw/zinc/80/04/72/545800472.db2.gz YSEOJRVTDVXCNB-CVEARBPZSA-N 0 3 362.522 2.136 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)Cn2c3ccccc3nc2-c2cscn2)C1 ZINC000170858127 546180532 /nfs/dbraw/zinc/18/05/32/546180532.db2.gz VDFBQQDATCKRBR-ZDUSSCGKSA-N 0 3 355.467 2.322 10 0 FEAEHN CCN1CCC[C@H]1CNC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000175368856 546309759 /nfs/dbraw/zinc/30/97/59/546309759.db2.gz GIFTXDGYRVUKLF-HNNXBMFYSA-N 0 3 357.458 2.144 10 0 FEAEHN COc1cccc([C@H](C)N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)c1 ZINC000175647151 546327257 /nfs/dbraw/zinc/32/72/57/546327257.db2.gz FLKGTIICIVBFNH-RXVVDRJESA-N 0 3 361.530 2.483 10 0 FEAEHN O=C(Nc1cccc(CCC(F)(F)F)c1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000175783045 546349893 /nfs/dbraw/zinc/34/98/93/546349893.db2.gz QZSYXWALJQDJDR-OAHLLOKOSA-N 0 3 369.387 2.427 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000176191446 546418169 /nfs/dbraw/zinc/41/81/69/546418169.db2.gz MZWJVUHQFZMPQI-KRWDZBQOSA-N 0 3 362.474 2.010 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(F)c(-n2nnnc2C)c1 ZINC000176342023 546433836 /nfs/dbraw/zinc/43/38/36/546433836.db2.gz UHJSOXLFGJYEKH-CQSZACIVSA-N 0 3 361.425 2.058 10 0 FEAEHN COc1ccc(OC(F)F)c(CNC(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000176537326 546458387 /nfs/dbraw/zinc/45/83/87/546458387.db2.gz VJTUKNQIKLWZCB-CYBMUJFWSA-N 0 3 355.385 2.286 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(-c2cnco2)c1 ZINC000176902159 546504165 /nfs/dbraw/zinc/50/41/65/546504165.db2.gz QLJLNHQBNBOZFL-INIZCTEOSA-N 0 3 356.426 2.223 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000176902936 546505025 /nfs/dbraw/zinc/50/50/25/546505025.db2.gz OLMJHBIFQLUGEW-JTQLQIEISA-N 0 3 359.804 2.499 10 0 FEAEHN Cc1ccnc(-c2ccc(NC(=O)N3CCO[C@H](CN(C)C)C3)cc2)n1 ZINC000177167746 546560682 /nfs/dbraw/zinc/56/06/82/546560682.db2.gz FMCONISFMFHSRB-QGZVFWFLSA-N 0 3 355.442 2.246 10 0 FEAEHN CC(C)N(Cc1ccccc1)C(=O)[C@H](C)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177243769 546578620 /nfs/dbraw/zinc/57/86/20/546578620.db2.gz NNGUMDPKOMMZHY-DYXWJJEUSA-N 0 3 373.541 2.465 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)N[C@@H]1CCCn2ncnc21)c1ccccc1 ZINC000177356985 546600105 /nfs/dbraw/zinc/60/01/05/546600105.db2.gz BYOSRFWTJZTUHF-SJORKVTESA-N 0 3 356.474 2.495 10 0 FEAEHN O=C(Nc1ccc(OC2CCCC2)cc1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177680589 546665947 /nfs/dbraw/zinc/66/59/47/546665947.db2.gz NDKFNWFGDUJOTC-MRXNPFEDSA-N 0 3 357.454 2.253 10 0 FEAEHN CCOc1ccc(OC[C@@H](O)CN2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000178319501 546774806 /nfs/dbraw/zinc/77/48/06/546774806.db2.gz LSEXLIGOHVMKOW-MSOLQXFVSA-N 0 3 359.470 2.495 10 0 FEAEHN Cn1cc([C@@H]2CCN(C(=O)NCC3CCN(c4ccncc4)CC3)C2)cn1 ZINC000179749048 547007169 /nfs/dbraw/zinc/00/71/69/547007169.db2.gz SOJSLBSCCAMGPK-QGZVFWFLSA-N 0 3 368.485 2.231 10 0 FEAEHN Cc1sc2ncc(C(=O)N[C@H](CC(C)C)CN(C)C)c(=O)n2c1C ZINC000179996091 547037211 /nfs/dbraw/zinc/03/72/11/547037211.db2.gz RSOCXUSXOBFXJG-CYBMUJFWSA-N 0 3 350.488 2.079 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)CCO1 ZINC000181284130 547286853 /nfs/dbraw/zinc/28/68/53/547286853.db2.gz XHJCYJLQRLZZKU-NSHDSACASA-N 0 3 353.373 2.295 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CCO1 ZINC000181284130 547286856 /nfs/dbraw/zinc/28/68/56/547286856.db2.gz XHJCYJLQRLZZKU-NSHDSACASA-N 0 3 353.373 2.295 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC(CCCN3CCOCC3)CC2)C1 ZINC000181429879 547313747 /nfs/dbraw/zinc/31/37/47/547313747.db2.gz BBXTUEUYBSYKIG-LJQANCHMSA-N 0 3 366.550 2.005 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cccc2c1oc(=O)n2C ZINC000182062210 547430356 /nfs/dbraw/zinc/43/03/56/547430356.db2.gz ZEQNFDHMWLQPKM-AWEZNQCLSA-N 0 3 353.422 2.382 10 0 FEAEHN CCOc1cc(CN[C@H](C)[C@H]2CCCO2)nc2nc(C(F)(F)F)nn21 ZINC000183165108 547613377 /nfs/dbraw/zinc/61/33/77/547613377.db2.gz GSSJDHWNJSMBIK-MWLCHTKSSA-N 0 3 359.352 2.199 10 0 FEAEHN COc1cc(CCNC(=O)CN[C@@H](C)[C@@H]2CCCO2)ccc1OC(F)F ZINC000183171122 547614714 /nfs/dbraw/zinc/61/47/14/547614714.db2.gz LPJDBPCNRWVIFO-JSGCOSHPSA-N 0 3 372.412 2.112 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@H](C)c1ccccc1OCC(=O)OC)CC2 ZINC000183753603 547713821 /nfs/dbraw/zinc/71/38/21/547713821.db2.gz AGFAWWHFYQFANQ-KGLIPLIRSA-N 0 3 358.442 2.058 10 0 FEAEHN C[C@@H]1C[C@@H](N(C)C(=O)NCC(=O)NCC2CC2)CCN1Cc1ccccc1 ZINC000183775481 547718137 /nfs/dbraw/zinc/71/81/37/547718137.db2.gz SMLBYAFHOXAEDF-APWZRJJASA-N 0 3 372.513 2.207 10 0 FEAEHN CCO[C@@H]1C[C@@H](N[C@@H]2CCCN(CC(F)(F)F)C2=O)C12CCOCC2 ZINC000186426301 548132853 /nfs/dbraw/zinc/13/28/53/548132853.db2.gz ZHPPJCMZUSETNP-MGPQQGTHSA-N 0 3 364.408 2.104 10 0 FEAEHN C[C@@H](NC[C@@H](O)CN1CCCCC1)c1ncc(Br)cc1F ZINC000187049935 548248114 /nfs/dbraw/zinc/24/81/14/548248114.db2.gz GXCNXPILLZBBLT-DGCLKSJQSA-N 0 3 360.271 2.481 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCOC2)C1 ZINC000190699108 548332730 /nfs/dbraw/zinc/33/27/30/548332730.db2.gz UYFUZZFRDZYCFJ-JKSUJKDBSA-N 0 3 366.531 2.341 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)C1 ZINC000194330680 548466334 /nfs/dbraw/zinc/46/63/34/548466334.db2.gz XVUBHYHVPSIKIL-HNNXBMFYSA-N 0 3 360.458 2.428 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(N2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000194778301 548531091 /nfs/dbraw/zinc/53/10/91/548531091.db2.gz HDZMSPZCRGFNAC-SFNKJDCFSA-N 0 3 372.513 2.394 10 0 FEAEHN CCCCOC[C@@H](O)CN1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000195186202 548592358 /nfs/dbraw/zinc/59/23/58/548592358.db2.gz HZEOLUWVDAJOOT-SFHVURJKSA-N 0 3 355.523 2.260 10 0 FEAEHN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCN2CCCC[C@H]2C1 ZINC000195222929 548598417 /nfs/dbraw/zinc/59/84/17/548598417.db2.gz FKRODCWZQBDSIE-IBGZPJMESA-N 0 3 371.529 2.449 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(CC(=O)NCc2ccco2)C1 ZINC000195256780 548605417 /nfs/dbraw/zinc/60/54/17/548605417.db2.gz ZGGJHQZCCWZZTB-OAHLLOKOSA-N 0 3 362.499 2.115 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(Cc2nnc(C3CCC3)n2C)C1 ZINC000195287165 548612920 /nfs/dbraw/zinc/61/29/20/548612920.db2.gz BUTKBHLWJDZUEU-QGZVFWFLSA-N 0 3 354.502 2.432 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(CC(=O)NC(C2CC2)C2CC2)C1 ZINC000195292400 548614484 /nfs/dbraw/zinc/61/44/84/548614484.db2.gz XMJPCHNQIZBOCP-QGZVFWFLSA-N 0 3 356.514 2.140 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000245438645 548920428 /nfs/dbraw/zinc/92/04/28/548920428.db2.gz YIYZLVWVHJAVEQ-VQTJNVASSA-N 0 3 371.525 2.410 10 0 FEAEHN CCOc1c(OC)cc(CN2CCN(C[C@H](C)O)[C@H](CC)C2)cc1OC ZINC000245778071 548993586 /nfs/dbraw/zinc/99/35/86/548993586.db2.gz TUTZRZCSSGWSQC-DOTOQJQBSA-N 0 3 366.502 2.380 10 0 FEAEHN O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@@H](n2cncn2)C1 ZINC000245815019 548999296 /nfs/dbraw/zinc/99/92/96/548999296.db2.gz JCFGHZQLDRGYPO-IEBWSBKVSA-N 0 3 371.460 2.493 10 0 FEAEHN COc1ccc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)cc1Br ZINC000246209193 549078734 /nfs/dbraw/zinc/07/87/34/549078734.db2.gz AHDXVBQPGAUXGG-STQMWFEESA-N 0 3 357.292 2.345 10 0 FEAEHN Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000246282737 549095886 /nfs/dbraw/zinc/09/58/86/549095886.db2.gz BPLLBKSVELZOEC-APWZRJJASA-N 0 3 372.513 2.379 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2OC(F)F)C1 ZINC000246295205 549099109 /nfs/dbraw/zinc/09/91/09/549099109.db2.gz CRYVQXCOYHEBSC-WCQYABFASA-N 0 3 355.385 2.071 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(OC(F)F)c(F)c2)C1 ZINC000246359250 549113979 /nfs/dbraw/zinc/11/39/79/549113979.db2.gz IGQQUXCIWUIQGH-ZWNOBZJWSA-N 0 3 373.375 2.211 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000246392456 549122854 /nfs/dbraw/zinc/12/28/54/549122854.db2.gz ISJKLFHUAINQSH-FCGDIQPGSA-N 0 3 368.566 2.246 10 0 FEAEHN Cc1nc(C)n(C[C@H]2CCCN(C[C@@H](O)COc3ccccc3F)C2)n1 ZINC000246413745 549128230 /nfs/dbraw/zinc/12/82/30/549128230.db2.gz QXWVDBMSIYCZKJ-DLBZAZTESA-N 0 3 362.449 2.186 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2Br)C1 ZINC000246437161 549132476 /nfs/dbraw/zinc/13/24/76/549132476.db2.gz NOLKYJYGCSKDSL-SMDDNHRTSA-N 0 3 368.275 2.233 10 0 FEAEHN C[C@@H](NC(=O)CN1CCN2CCC[C@H]2C1)c1ccc(Br)cc1 ZINC000246742978 549201543 /nfs/dbraw/zinc/20/15/43/549201543.db2.gz WWCLYOPFCQGLBW-CJNGLKHVSA-N 0 3 366.303 2.406 10 0 FEAEHN CC(C)n1nc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c2ccccc2c1=O ZINC000246794315 549213966 /nfs/dbraw/zinc/21/39/66/549213966.db2.gz BOIJIUOEDLOUJH-GJZGRUSLSA-N 0 3 354.454 2.286 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc(N2CCNC2=O)ccc1F ZINC000246839354 549226467 /nfs/dbraw/zinc/22/64/67/549226467.db2.gz BKMVAYYCVNEYKB-HIFRSBDPSA-N 0 3 360.433 2.054 10 0 FEAEHN CCO[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCN2CCOC)C12CCCC2 ZINC000246896426 549238039 /nfs/dbraw/zinc/23/80/39/549238039.db2.gz CHJZZYXAOJGKKX-KZNAEPCWSA-N 0 3 367.534 2.476 10 0 FEAEHN CC(C)c1csc([C@H]2CCCN(C[C@@H](O)CN3CCOCC3)C2)n1 ZINC000246946185 549248016 /nfs/dbraw/zinc/24/80/16/549248016.db2.gz QYDRGUYZMWATKX-HOTGVXAUSA-N 0 3 353.532 2.139 10 0 FEAEHN CC[C@H]1CN(C(=O)[C@H]2CCCN2Cc2ccccc2)CCN1CCOC ZINC000246980757 549256244 /nfs/dbraw/zinc/25/62/44/549256244.db2.gz FLQPJRVXFZNWAO-VQTJNVASSA-N 0 3 359.514 2.220 10 0 FEAEHN CC[C@@H]1CN(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)CCN1C[C@H](C)O ZINC000247041344 549271336 /nfs/dbraw/zinc/27/13/36/549271336.db2.gz OGAJXSNDYZDPBA-GOEBONIOSA-N 0 3 372.469 2.003 10 0 FEAEHN CC[C@H]1CN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CCN1C[C@H](C)O ZINC000247145348 549290197 /nfs/dbraw/zinc/29/01/97/549290197.db2.gz WNAKSUAAJJYFRD-HOCLYGCPSA-N 0 3 372.469 2.003 10 0 FEAEHN C[C@H](CNC(=O)N1CCC(Nc2cccnn2)CC1)N1CCC[C@@H](C)C1 ZINC000247312903 549315051 /nfs/dbraw/zinc/31/50/51/549315051.db2.gz WESQSOFPMYJVIS-HZPDHXFCSA-N 0 3 360.506 2.183 10 0 FEAEHN CC[C@@H]1CN(CCC(=O)N[C@H]2CCCc3ccccc32)CCN1C[C@H](C)O ZINC000247871531 549387806 /nfs/dbraw/zinc/38/78/06/549387806.db2.gz XOQUGQCECCGKIP-DSKINZAPSA-N 0 3 373.541 2.347 10 0 FEAEHN COc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)nc1Br ZINC000248443563 549438719 /nfs/dbraw/zinc/43/87/19/549438719.db2.gz LMFCKKLYIGXUAR-QWRGUYRKSA-N 0 3 354.248 2.161 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000248656295 549478963 /nfs/dbraw/zinc/47/89/63/549478963.db2.gz DMBRDHLZQQQMJE-UXHICEINSA-N 0 3 374.529 2.061 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000249063259 549545571 /nfs/dbraw/zinc/54/55/71/549545571.db2.gz HKELPWPPYAQUBC-IRXDYDNUSA-N 0 3 372.494 2.391 10 0 FEAEHN CC(C)COc1cccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1 ZINC000249139868 549559382 /nfs/dbraw/zinc/55/93/82/549559382.db2.gz FKUXDAGDOPRFAX-RDJZCZTQSA-N 0 3 359.470 2.355 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(SC(F)F)nc1 ZINC000249269073 549574070 /nfs/dbraw/zinc/57/40/70/549574070.db2.gz ZWBKOPWLTOTPCH-PWSUYJOCSA-N 0 3 370.425 2.030 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(CC)C2)[C@H]1Oc1ccccc1 ZINC000249462067 549594476 /nfs/dbraw/zinc/59/44/76/549594476.db2.gz REFGOOPTRQKSBA-GDAAHCPNSA-N 0 3 361.486 2.395 10 0 FEAEHN OC[C@@H]1CN(C[C@H](O)COc2ccc(F)cc2)C[C@H]1c1ccsc1 ZINC000249581623 549607233 /nfs/dbraw/zinc/60/72/33/549607233.db2.gz RHJFHRYHJCLYRW-ZVZYQTTQSA-N 0 3 351.443 2.335 10 0 FEAEHN OC[C@@H]1CN(C[C@@H](O)COCc2ccccc2F)C[C@H]1c1ccsc1 ZINC000249587228 549608303 /nfs/dbraw/zinc/60/83/03/549608303.db2.gz UFVQZGRYKMOKKR-KSZLIROESA-N 0 3 365.470 2.473 10 0 FEAEHN C[C@H]1CN2CCCC[C@H]2CN1c1ncc(I)cn1 ZINC000252896933 549679644 /nfs/dbraw/zinc/67/96/44/549679644.db2.gz CIRRSLAAMJYOLE-JQWIXIFHSA-N 0 3 358.227 2.144 10 0 FEAEHN C/C=C\c1ccc(OC[C@H](O)CN2CCC[C@@H](n3cncn3)C2)c(OC)c1 ZINC000255491306 549706645 /nfs/dbraw/zinc/70/66/45/549706645.db2.gz BUUKWRRCEQELCT-MXNAJAOXSA-N 0 3 372.469 2.397 10 0 FEAEHN N[C@@H](C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCOCC1 ZINC000261658264 549739817 /nfs/dbraw/zinc/73/98/17/549739817.db2.gz FNVOOZNNYMCZDJ-GOSISDBHSA-N 0 3 359.470 2.395 10 0 FEAEHN COc1cc([C@@H](C)NC(=O)[C@H](N)C2CCOCC2)ccc1OC(C)C ZINC000261768148 549753463 /nfs/dbraw/zinc/75/34/63/549753463.db2.gz MEWWOYBDQRWQSB-FZKQIMNGSA-N 0 3 350.459 2.414 10 0 FEAEHN Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)C2(N)CCOCC2)C1 ZINC000261878807 549765231 /nfs/dbraw/zinc/76/52/31/549765231.db2.gz PADPJUXUXWJOOA-CQSZACIVSA-N 0 3 351.878 2.099 10 0 FEAEHN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000262936762 549864429 /nfs/dbraw/zinc/86/44/29/549864429.db2.gz MYVYPOCMNNJRCN-LJQANCHMSA-N 0 3 373.497 2.294 10 0 FEAEHN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000262936762 549864431 /nfs/dbraw/zinc/86/44/31/549864431.db2.gz MYVYPOCMNNJRCN-LJQANCHMSA-N 0 3 373.497 2.294 10 0 FEAEHN Cc1ccc(-n2nc(-c3nc([C@H]4CNCCN4C)no3)c3c2CCC3)cc1 ZINC000263251774 549889754 /nfs/dbraw/zinc/88/97/54/549889754.db2.gz PZHIWAKESGOMBB-QGZVFWFLSA-N 0 3 364.453 2.296 10 0 FEAEHN CN1CCNC[C@H]1c1noc(Cc2csc(Cc3ccc(F)cc3)n2)n1 ZINC000263277540 549891597 /nfs/dbraw/zinc/89/15/97/549891597.db2.gz TUGAYOONJYBXNG-HNNXBMFYSA-N 0 3 373.457 2.423 10 0 FEAEHN N[C@H](CC(=O)N1CCOC[C@H]1C[C@H](O)c1cccs1)c1ccccc1 ZINC000263373414 549898091 /nfs/dbraw/zinc/89/80/91/549898091.db2.gz ZIVHFSAKRHIBDI-ZACQAIPSSA-N 0 3 360.479 2.489 10 0 FEAEHN CCc1cc(N2CCN(C[C@H](C)O)[C@@H](CC)C2)nc(-c2ccccn2)n1 ZINC000301201572 553630784 /nfs/dbraw/zinc/63/07/84/553630784.db2.gz NEHIVYLKYFEUSI-RDJZCZTQSA-N 0 3 355.486 2.382 10 0 FEAEHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)c1nn2c(nccc2=O)s1 ZINC000301447773 553652465 /nfs/dbraw/zinc/65/24/65/553652465.db2.gz OSSAESHBFRAXPF-MRXNPFEDSA-N 0 3 369.494 2.499 10 0 FEAEHN CCOC(=O)CNC(=O)C1CCN(c2ccnc3c(C)cccc23)CC1 ZINC000301750930 553677131 /nfs/dbraw/zinc/67/71/31/553677131.db2.gz AWQKYZWKAXVLTN-UHFFFAOYSA-N 0 3 355.438 2.439 10 0 FEAEHN COC(=O)c1ccc(NC[C@H](O)CN2CCc3ccccc3C2)nc1C ZINC000301929469 553692649 /nfs/dbraw/zinc/69/26/49/553692649.db2.gz NSPZEXDWKLCLPJ-KRWDZBQOSA-N 0 3 355.438 2.008 10 0 FEAEHN Nc1ccc(S(=O)(=O)N[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)cc1 ZINC000311615146 553754726 /nfs/dbraw/zinc/75/47/26/553754726.db2.gz GDWNSNLEZLWXMG-PWIZWCRZSA-N 0 3 371.506 2.458 10 0 FEAEHN CC(=O)N(Cc1cncnc1)[C@H]1CCCN(C[C@@H](O)c2ccccc2)CC1 ZINC000328641137 553800639 /nfs/dbraw/zinc/80/06/39/553800639.db2.gz QJQBUJKLLYXTLB-LEWJYISDSA-N 0 3 368.481 2.413 10 0 FEAEHN O=c1[nH]ccnc1N1CCC[C@H](N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000328653469 553802664 /nfs/dbraw/zinc/80/26/64/553802664.db2.gz WWKKBANQBVJIEQ-MOPGFXCFSA-N 0 3 367.497 2.405 10 0 FEAEHN O[C@H](COc1cccc(Br)c1)CN1CCC2(CC1)OCCO2 ZINC000060467405 670386177 /nfs/dbraw/zinc/38/61/77/670386177.db2.gz BYMGGHCSCRFELR-AWEZNQCLSA-N 0 3 372.259 2.028 10 0 FEAEHN CC[C@@H]1CN(Cn2nc(N3CCCC3)sc2=S)CCN1CCOC ZINC000117324495 670914824 /nfs/dbraw/zinc/91/48/24/670914824.db2.gz LOQNPJIULGHJQC-CQSZACIVSA-N 0 3 371.576 2.274 10 0 FEAEHN CN(C)C[C@H]1CN(Cn2[nH]c(-c3cc(F)cc(F)c3)nc2=S)CCO1 ZINC000172911282 672345872 /nfs/dbraw/zinc/34/58/72/672345872.db2.gz UABRNKSLXDWAGR-AWEZNQCLSA-N 0 3 369.441 2.106 10 0 FEAEHN CCc1noc(C2CCC([NH2+]C3CC(N(CC)CC(=O)[O-])C3)CC2)n1 ZINC000263496690 672934803 /nfs/dbraw/zinc/93/48/03/672934803.db2.gz JVFIIERCYBBRBF-UHFFFAOYSA-N 0 3 350.463 2.185 10 0 FEAEHN COc1ccc(/C=C/c2ccc3c(c2)C(=O)N2CC[C@H](N)[C@H]2C(=O)N3)cc1 ZINC000008296798 539482610 /nfs/dbraw/zinc/48/26/10/539482610.db2.gz QDXPXKLBFDHUCR-GOCDNGJGSA-N 0 3 363.417 2.360 10 0 FEAEHN Cc1ccc(NC(=O)N[C@@H](CN(C)C)c2ccccc2)cc1-n1cnnn1 ZINC000044246469 540120942 /nfs/dbraw/zinc/12/09/42/540120942.db2.gz MHSQBBPAIQATJB-KRWDZBQOSA-N 0 3 365.441 2.395 10 0 FEAEHN COc1ccc(F)cc1[C@H](C)NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000046337137 540252592 /nfs/dbraw/zinc/25/25/92/540252592.db2.gz QLQZRGRGPZALHD-DZGCQCFKSA-N 0 3 353.438 2.041 10 0 FEAEHN CN(C)C[C@H](NC(=O)C1CCN(Cc2nccn2C)CC1)c1ccccc1 ZINC000048274339 540354692 /nfs/dbraw/zinc/35/46/92/540354692.db2.gz QXWFDCKNASWCCM-IBGZPJMESA-N 0 3 369.513 2.051 10 0 FEAEHN C[C@@H](NC(=O)NCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000049305785 540387236 /nfs/dbraw/zinc/38/72/36/540387236.db2.gz XWAGAXVNPRYXIP-UYAOXDASSA-N 0 3 374.529 2.061 10 0 FEAEHN CC(C)COc1ccccc1CNC(=O)NC[C@H](O)CN1CCCCC1 ZINC000052560696 540473719 /nfs/dbraw/zinc/47/37/19/540473719.db2.gz RTNIZPSWVBNHID-SFHVURJKSA-N 0 3 363.502 2.367 10 0 FEAEHN C[C@H](NC(=O)N1CC[C@@H](N2CCCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000066177417 541287109 /nfs/dbraw/zinc/28/71/09/541287109.db2.gz TUHYDFIVJDLATO-GOEBONIOSA-N 0 3 365.499 2.031 10 0 FEAEHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C)n1nnc(-c2ccccc2)n1 ZINC000247386624 549326825 /nfs/dbraw/zinc/32/68/25/549326825.db2.gz QCNWJCRQKYSYJH-KBAYOESNSA-N 0 3 370.501 2.382 10 0 FEAEHN CCOC(=O)[C@@H]1CCCN(C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000068049357 541542259 /nfs/dbraw/zinc/54/22/59/541542259.db2.gz JUOMAJQIHGKGTB-WBVHZDCISA-N 0 3 355.862 2.493 10 0 FEAEHN CCCNC(=O)C1CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000073800565 542000880 /nfs/dbraw/zinc/00/08/80/542000880.db2.gz UUUFVXGQMHOVNR-SFHVURJKSA-N 0 3 368.905 2.456 10 0 FEAEHN C[C@@H](CN1CCc2ccccc2C1)Nc1nccc(N2CCC(O)CC2)n1 ZINC000065371190 221203953 /nfs/dbraw/zinc/20/39/53/221203953.db2.gz LORDAVLODIZEMN-INIZCTEOSA-N 0 3 367.497 2.296 10 0 FEAEHN C[C@H](CN1CCc2ccccc2C1)Nc1nccc(N2CCC(O)CC2)n1 ZINC000065371191 221204700 /nfs/dbraw/zinc/20/47/00/221204700.db2.gz LORDAVLODIZEMN-MRXNPFEDSA-N 0 3 367.497 2.296 10 0 FEAEHN C[C@H](NC(=O)NCCCCN1CCN(c2ccccc2)CC1)[C@H]1CCCO1 ZINC000080010498 542557951 /nfs/dbraw/zinc/55/79/51/542557951.db2.gz INYSRQPYJAUVCK-AZUAARDMSA-N 0 3 374.529 2.456 10 0 FEAEHN CN(C)c1cnnc(N2CCN(C(=O)CCCc3ccccc3)CC2)c1 ZINC000224308928 132282914 /nfs/dbraw/zinc/28/29/14/132282914.db2.gz QCWSJBNCQGYELZ-UHFFFAOYSA-N 0 3 353.470 2.214 10 0 FEAEHN CCN1CC[C@@]2(CN(Cc3c(C)nc4ccccn43)CCN2C)CCC1=O ZINC000091706568 542820134 /nfs/dbraw/zinc/82/01/34/542820134.db2.gz IKLGNKZSFPRDHP-OAQYLSRUSA-N 0 3 369.513 2.161 10 0 FEAEHN CCCC(=O)N[C@@H]1CCCN(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000101772167 543044488 /nfs/dbraw/zinc/04/44/88/543044488.db2.gz VLNDQJJQJCIVRE-MRXNPFEDSA-N 0 3 352.523 2.341 10 0 FEAEHN C[C@@H](NC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000105146277 543161559 /nfs/dbraw/zinc/16/15/59/543161559.db2.gz DHPFCBRYTQLOPH-UYAOXDASSA-N 0 3 374.529 2.013 10 0 FEAEHN CC(C)C[C@@H](C)N(C)C(=O)CN(C)C1CCN(CCn2cccn2)CC1 ZINC000106128760 543205269 /nfs/dbraw/zinc/20/52/69/543205269.db2.gz PEPVRFVPFIXMDF-GOSISDBHSA-N 0 3 363.550 2.172 10 0 FEAEHN CC[C@@H]1CN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CCN1CCOC ZINC000106115111 543201726 /nfs/dbraw/zinc/20/17/26/543201726.db2.gz USQYPHDRRCWKCF-CQSZACIVSA-N 0 3 364.877 2.119 10 0 FEAEHN CC[C@H]1CN(CCCCN2C(=O)c3ccccc3C2=O)CCN1CCOC ZINC000106115313 543201776 /nfs/dbraw/zinc/20/17/76/543201776.db2.gz NQSXJIWNFWMAPK-KRWDZBQOSA-N 0 3 373.497 2.105 10 0 FEAEHN COc1ccc(COC[C@@H](O)CN2CCC[C@H](n3cc(C)cn3)C2)cc1 ZINC000106219982 543219541 /nfs/dbraw/zinc/21/95/41/543219541.db2.gz IMUQCQPVFARRPU-OALUTQOASA-N 0 3 359.470 2.415 10 0 FEAEHN Cc1ccc(CNC(=O)C(C)S(=O)(=O)Cc2nccn2C(C)C)cc1 ZINC000107075819 543261376 /nfs/dbraw/zinc/26/13/76/543261376.db2.gz YIQNASNGBARZNB-OAHLLOKOSA-N 0 3 363.483 2.392 10 0 FEAEHN CN(C)Cc1ccc(C(=O)N2CCC(N(C)c3cccnn3)CC2)cc1 ZINC000109643290 543330234 /nfs/dbraw/zinc/33/02/34/543330234.db2.gz VOWHAUMJSYPZJS-UHFFFAOYSA-N 0 3 353.470 2.279 10 0 FEAEHN Cc1ccc(C(=O)NCCNC(=O)N[C@@H](CN(C)C)c2ccccc2)cc1 ZINC000111808043 543416464 /nfs/dbraw/zinc/41/64/64/543416464.db2.gz FWLBJSNGAGDIQG-IBGZPJMESA-N 0 3 368.481 2.327 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000111826797 543417781 /nfs/dbraw/zinc/41/77/81/543417781.db2.gz YOHWYKRBTHSYNK-QGZVFWFLSA-N 0 3 366.481 2.221 10 0 FEAEHN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000113227719 543478116 /nfs/dbraw/zinc/47/81/16/543478116.db2.gz CBECMDFLSDQBLN-KSSFIOAISA-N 0 3 366.465 2.367 10 0 FEAEHN C[C@@H](NC(C)(C)CNC(=O)NC[C@H](C)N1CCOCC1)c1ccccc1 ZINC000113590948 543491483 /nfs/dbraw/zinc/49/14/83/543491483.db2.gz MJWMXCBRCDTAOF-DLBZAZTESA-N 0 3 362.518 2.136 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(Br)cc1 ZINC000247460235 549336398 /nfs/dbraw/zinc/33/63/98/549336398.db2.gz QTIWUOFHLPCBIP-YPMHNXCESA-N 0 3 359.289 2.306 10 0 FEAEHN O=C(NCC1CCN(C[C@H](O)c2ccccc2)CC1)c1ccnc(F)c1 ZINC000115158082 543553268 /nfs/dbraw/zinc/55/32/68/543553268.db2.gz LUYCTBOBAFMWMM-SFHVURJKSA-N 0 3 357.429 2.396 10 0 FEAEHN C[C@@H](NC(=O)N1CCO[C@H](CN(C)C)C1)c1cccc(Br)c1 ZINC000117030916 543622009 /nfs/dbraw/zinc/62/20/09/543622009.db2.gz DTWROENSTHZKKM-IUODEOHRSA-N 0 3 370.291 2.482 10 0 FEAEHN C[C@H](C(=O)N1CCO[C@@H](CN(C)C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000116791107 543615938 /nfs/dbraw/zinc/61/59/38/543615938.db2.gz LEOWLVRVVWWQPT-NQIIRXRSSA-N 0 3 373.541 2.119 10 0 FEAEHN CC(C)COc1ccc(NC(=O)NC[C@@H](O)CN2CCCCC2)cn1 ZINC000117009298 543621170 /nfs/dbraw/zinc/62/11/70/543621170.db2.gz YWCHASHRKGXVRM-MRXNPFEDSA-N 0 3 350.463 2.085 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)C1 ZINC000247486862 549342675 /nfs/dbraw/zinc/34/26/75/549342675.db2.gz WPBPODWRZNSCNW-HYVNUMGLSA-N 0 3 363.527 2.127 10 0 FEAEHN CCn1cnnc1[C@@H]1CCCN(C[C@H](O)COCc2ccccc2F)C1 ZINC000126209465 543923510 /nfs/dbraw/zinc/92/35/10/543923510.db2.gz RIHGUZROBNSJNU-WBVHZDCISA-N 0 3 362.449 2.194 10 0 FEAEHN Cc1cnn(CCNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000127282856 543983078 /nfs/dbraw/zinc/98/30/78/543983078.db2.gz QXGJFYDWYRMMAE-SFHVURJKSA-N 0 3 355.486 2.498 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000130048200 544136538 /nfs/dbraw/zinc/13/65/38/544136538.db2.gz CLQSVLGBLDCTIR-CQSZACIVSA-N 0 3 363.259 2.411 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000132530016 544234537 /nfs/dbraw/zinc/23/45/37/544234537.db2.gz BSRNURPELBTSEQ-IAGOWNOFSA-N 0 3 357.433 2.164 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CCO1 ZINC000133761160 544282448 /nfs/dbraw/zinc/28/24/48/544282448.db2.gz NFXJVCPVESYAMU-YUELXQCFSA-N 0 3 372.387 2.478 10 0 FEAEHN COc1ccc(OC)c(CN(C[C@@H](O)CN2CCCC2=O)C(C)(C)C)c1 ZINC000134861266 544323880 /nfs/dbraw/zinc/32/38/80/544323880.db2.gz ZFMABMWJOAHGLP-INIZCTEOSA-N 0 3 364.486 2.288 10 0 FEAEHN C[C@@H](NC(=O)N[C@@H](CN(C)C)c1ccccc1)c1nnc2n1CCCC2 ZINC000136579109 544375059 /nfs/dbraw/zinc/37/50/59/544375059.db2.gz YUTPKDCJUCKUJM-ZBFHGGJFSA-N 0 3 356.474 2.278 10 0 FEAEHN CC(C)OCc1cccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000150773635 544469799 /nfs/dbraw/zinc/46/97/99/544469799.db2.gz GEVLBLWFNRSFES-QAPCUYQASA-N 0 3 361.486 2.395 10 0 FEAEHN C[C@@H](CNC(=O)N1CCC(Nc2cccnn2)CC1)N1CCC(C)CC1 ZINC000154220505 544877536 /nfs/dbraw/zinc/87/75/36/544877536.db2.gz UQAYJJLTUYATAL-INIZCTEOSA-N 0 3 360.506 2.183 10 0 FEAEHN CN(C)C[C@H]1CN(CCC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000155249564 545005255 /nfs/dbraw/zinc/00/52/55/545005255.db2.gz IUVIJCLJROBRER-HNNXBMFYSA-N 0 3 370.291 2.040 10 0 FEAEHN CC[C@H]1CN(CCC(=O)NCc2ccccc2Cl)CCN1C[C@H](C)O ZINC000247579704 549361276 /nfs/dbraw/zinc/36/12/76/549361276.db2.gz IGTAUZBRQXHBIY-RDJZCZTQSA-N 0 3 367.921 2.123 10 0 FEAEHN CCOCCN(C)C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000179515453 327647770 /nfs/dbraw/zinc/64/77/70/327647770.db2.gz IFTRRDAJOMLJPP-LJQANCHMSA-N 0 3 363.502 2.110 10 0 FEAEHN C[C@@H](N[C@@H]1CCCN(c2cnn(C)c2)C1=O)c1cccc(-n2ccnc2)c1 ZINC000180653388 327695747 /nfs/dbraw/zinc/69/57/47/327695747.db2.gz QAYMDIUUVBEKQW-DNVCBOLYSA-N 0 3 364.453 2.452 10 0 FEAEHN Cc1ccc(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)cc1O ZINC000181085023 327715645 /nfs/dbraw/zinc/71/56/45/327715645.db2.gz BJOJOTZWWRPSNW-UHFFFAOYSA-N 0 3 354.454 2.120 10 0 FEAEHN C[C@@H](NCCS(=O)(=O)c1cccc(Br)c1)[C@@H]1CCCO1 ZINC000183110209 327802048 /nfs/dbraw/zinc/80/20/48/327802048.db2.gz VSFJANPTDLGCDZ-RISCZKNCSA-N 0 3 362.289 2.380 10 0 FEAEHN CCOC(=O)C1CCN(C(=O)C[C@@H](C)N[C@H]2COc3ccccc32)CC1 ZINC000183595455 327825711 /nfs/dbraw/zinc/82/57/11/327825711.db2.gz SWQYETIAWBOARU-PBHICJAKSA-N 0 3 360.454 2.290 10 0 FEAEHN CCN(CCO)CCNC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000187110708 328002625 /nfs/dbraw/zinc/00/26/25/328002625.db2.gz ZCDMVSUKWHVGJS-GFCCVEGCSA-N 0 3 363.380 2.260 10 0 FEAEHN CNC(=O)[C@@H]1CCCN1C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000187479392 328028627 /nfs/dbraw/zinc/02/86/27/328028627.db2.gz XLAKVNRUZWYVKA-MSOLQXFVSA-N 0 3 360.502 2.063 10 0 FEAEHN Cc1ccc(Br)cc1CNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000187648293 328037547 /nfs/dbraw/zinc/03/75/47/328037547.db2.gz TZIHSRRKEPXKFO-OAHLLOKOSA-N 0 3 370.291 2.230 10 0 FEAEHN Cc1ccc(CC(=O)N2CCO[C@@H](CN(C)C)C2)cc1Br ZINC000188036237 328061864 /nfs/dbraw/zinc/06/18/64/328061864.db2.gz HDFREYPNYWNVAA-AWEZNQCLSA-N 0 3 355.276 2.089 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)NC[C@H](c1ccccc1)C(F)(F)F ZINC000189050826 328125846 /nfs/dbraw/zinc/12/58/46/328125846.db2.gz HTGMFKXHECTNAL-JKSUJKDBSA-N 0 3 373.419 2.479 10 0 FEAEHN CCCCOc1cccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1 ZINC000190074999 328186049 /nfs/dbraw/zinc/18/60/49/328186049.db2.gz VIJQTNDEYSIFPR-DOTOQJQBSA-N 0 3 359.470 2.499 10 0 FEAEHN CNC(=O)c1cccc(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190591248 328218415 /nfs/dbraw/zinc/21/84/15/328218415.db2.gz OXLDBKRUNPTUJE-KRWDZBQOSA-N 0 3 366.465 2.035 10 0 FEAEHN CC(C)NC(=O)CCCC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190631763 328220916 /nfs/dbraw/zinc/22/09/16/328220916.db2.gz KRDAMPJLZUACMY-GOSISDBHSA-N 0 3 360.502 2.057 10 0 FEAEHN CCOCCCNC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000190681378 328224488 /nfs/dbraw/zinc/22/44/88/328224488.db2.gz YLMMIWNMIWLYTH-OAHLLOKOSA-N 0 3 354.520 2.341 10 0 FEAEHN C[C@H](CNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1)Cn1cccn1 ZINC000190699811 328225839 /nfs/dbraw/zinc/22/58/39/328225839.db2.gz YQNQBWMVMKDVAC-IEBWSBKVSA-N 0 3 370.501 2.078 10 0 FEAEHN COC(=O)[C@@]1(C)CCCN1C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000190736763 328229094 /nfs/dbraw/zinc/22/90/94/328229094.db2.gz IGLSSXIQBBOZNO-OAQYLSRUSA-N 0 3 374.481 2.059 10 0 FEAEHN COC(=O)c1ccc(NC(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c(N(C)C)c1 ZINC000191180424 328253011 /nfs/dbraw/zinc/25/30/11/328253011.db2.gz VDWJVZLDZNSRHT-CJNGLKHVSA-N 0 3 362.474 2.389 10 0 FEAEHN CC(C)N1CCC[C@@H](N2CCC(N(C)CC(=O)OC(C)(C)C)CC2)C1=O ZINC000191979981 328291643 /nfs/dbraw/zinc/29/16/43/328291643.db2.gz RVMDLTDOCIGVJR-QGZVFWFLSA-N 0 3 367.534 2.124 10 0 FEAEHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN(Cc1cccs1)C1CC1 ZINC000192676568 328332773 /nfs/dbraw/zinc/33/27/73/328332773.db2.gz LYYHEDDFGSUUJR-AWEZNQCLSA-N 0 3 356.447 2.370 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2cnc(Cl)cn2)C1 ZINC000192940521 328348085 /nfs/dbraw/zinc/34/80/85/328348085.db2.gz MWZWTSDOBRJHIN-GFCCVEGCSA-N 0 3 365.890 2.489 10 0 FEAEHN CN(CC(=O)OC(C)(C)C)C1CCN(CCO[C@@H]2CCCCO2)CC1 ZINC000193131306 328359023 /nfs/dbraw/zinc/35/90/23/328359023.db2.gz FKSOHERTUMOILZ-GOSISDBHSA-N 0 3 356.507 2.268 10 0 FEAEHN CC(C)CCOC1CCN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000193116365 328358545 /nfs/dbraw/zinc/35/85/45/328358545.db2.gz PTWIZHBYUCWDTM-INIZCTEOSA-N 0 3 374.481 2.171 10 0 FEAEHN C[C@H]1[NH2+]CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000194944036 328447970 /nfs/dbraw/zinc/44/79/70/328447970.db2.gz DXQBZLKYNIFFSM-PELKAZGASA-N 0 3 351.241 2.007 10 0 FEAEHN CCOC(=O)C1CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000003865281 324345165 /nfs/dbraw/zinc/34/51/65/324345165.db2.gz BUEKUJJNESJHIZ-KRWDZBQOSA-N 0 3 355.862 2.493 10 0 FEAEHN CN(C)C[C@H](NC(=O)CCNC(=O)Cc1ccccc1)c1ccccc1 ZINC000026323151 324425671 /nfs/dbraw/zinc/42/56/71/324425671.db2.gz AROCNHYFMNTHFQ-IBGZPJMESA-N 0 3 353.466 2.155 10 0 FEAEHN CCN(CC)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000077937931 325026217 /nfs/dbraw/zinc/02/62/17/325026217.db2.gz FUUUKNOFSVEYRD-WMZOPIPTSA-N 0 3 361.486 2.134 10 0 FEAEHN CN(C)CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000079089505 325076254 /nfs/dbraw/zinc/07/62/54/325076254.db2.gz DZUYIFVRJXDQGE-UKRRQHHQSA-N 0 3 364.456 2.433 10 0 FEAEHN Cc1csc(N2CCN(C(=O)N[C@@H](CC(C)C)CN(C)C)CC2)n1 ZINC000079495779 325093343 /nfs/dbraw/zinc/09/33/43/325093343.db2.gz DLUMOQGNVQWOFY-HNNXBMFYSA-N 0 3 353.536 2.259 10 0 FEAEHN O=C(C[C@H]1CSCCN1)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000237997778 328537204 /nfs/dbraw/zinc/53/72/04/328537204.db2.gz NLMSGLCJSRVDKP-IRXDYDNUSA-N 0 3 360.479 2.437 10 0 FEAEHN CN(Cc1nccn1CC(F)(F)F)C1CCN(CCn2cccn2)CC1 ZINC000106128454 325584583 /nfs/dbraw/zinc/58/45/83/325584583.db2.gz VSORCEVTIYDYGI-UHFFFAOYSA-N 0 3 370.423 2.238 10 0 FEAEHN CN(C)C[C@@H]1CN(CC(=O)N[C@@H](c2cccs2)C(C)(C)C)CCO1 ZINC000107304971 325623917 /nfs/dbraw/zinc/62/39/17/325623917.db2.gz HESIROSCTJISOZ-PBHICJAKSA-N 0 3 353.532 2.214 10 0 FEAEHN CN(C)C[C@@H]1CN(CC(=O)N[C@H](c2cccs2)C(C)(C)C)CCO1 ZINC000107304968 325624133 /nfs/dbraw/zinc/62/41/33/325624133.db2.gz HESIROSCTJISOZ-RHSMWYFYSA-N 0 3 353.532 2.214 10 0 FEAEHN CCc1nc2n(n1)C[C@H](NCc1cc(C)c(OCC(=O)OC)c(C)c1)CC2 ZINC000109072969 325658401 /nfs/dbraw/zinc/65/84/01/325658401.db2.gz VCQPHUJVPRIGFM-MRXNPFEDSA-N 0 3 372.469 2.114 10 0 FEAEHN COc1ccc2[nH]cc(C3CCN(C[C@H](O)CN4CCCC4=O)CC3)c2c1 ZINC000111685043 325730402 /nfs/dbraw/zinc/73/04/02/325730402.db2.gz AKFVRQVEULYYJI-INIZCTEOSA-N 0 3 371.481 2.339 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@H](C)C(=O)N(C)Cc1ccccc1)CC2 ZINC000112551968 325790630 /nfs/dbraw/zinc/79/06/30/325790630.db2.gz GFYJBQKFPLLRDM-WBVHZDCISA-N 0 3 355.486 2.353 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)CC[C@H]3CCCCO3)CC2)nc1 ZINC000114414005 325890226 /nfs/dbraw/zinc/89/02/26/325890226.db2.gz JAEVLBCHYAYGEF-GOSISDBHSA-N 0 3 360.502 2.141 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Nc2cccc(CS(C)(=O)=O)c2C)C1 ZINC000117016664 326047250 /nfs/dbraw/zinc/04/72/50/326047250.db2.gz ZGQKSTQYIQCTAY-OAHLLOKOSA-N 0 3 353.488 2.145 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)N[C@H]2CCSc3ccc(F)cc32)CCO1 ZINC000117028185 326047602 /nfs/dbraw/zinc/04/76/02/326047602.db2.gz IFCNGOPGUIUDBL-HIFRSBDPSA-N 0 3 353.463 2.335 10 0 FEAEHN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@@H](CC(C)C)CN(C)C)C2)n1 ZINC000117034355 326048517 /nfs/dbraw/zinc/04/85/17/326048517.db2.gz ZDQZRMVBRUFWHE-MSOLQXFVSA-N 0 3 364.538 2.293 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)C1 ZINC000117056751 326049603 /nfs/dbraw/zinc/04/96/03/326049603.db2.gz HNRUUJCOXGWMAP-KGLIPLIRSA-N 0 3 368.428 2.212 10 0 FEAEHN Cc1cnn(CCNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)c1 ZINC000118081934 326079427 /nfs/dbraw/zinc/07/94/27/326079427.db2.gz WTCRQGSTPZSLFB-UHFFFAOYSA-N 0 3 365.428 2.243 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000118881482 326109863 /nfs/dbraw/zinc/10/98/63/326109863.db2.gz FUKKSBWIEFCKLA-HXUWFJFHSA-N 0 3 360.546 2.140 10 0 FEAEHN CN(C)C[C@@H]1CN(CC(=O)N[C@H](c2ccccc2)C2CCCC2)CCO1 ZINC000245929835 328580003 /nfs/dbraw/zinc/58/00/03/328580003.db2.gz PSRZCUNOGOFZAM-TZIWHRDSSA-N 0 3 359.514 2.297 10 0 FEAEHN CN(Cc1cn(C)nc1-c1cccnc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000120195158 326239851 /nfs/dbraw/zinc/23/98/51/326239851.db2.gz KFCSUBGUTZXWAV-GOSISDBHSA-N 0 3 363.469 2.373 10 0 FEAEHN COc1c(F)cc(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)cc1F ZINC000121868014 326372777 /nfs/dbraw/zinc/37/27/77/326372777.db2.gz WIYDTSDFTDPIRH-GFCCVEGCSA-N 0 3 357.401 2.004 10 0 FEAEHN COc1ccc(-c2cncc(C(=O)N3CCO[C@H](CN(C)C)C3)c2)cc1 ZINC000135622265 326645487 /nfs/dbraw/zinc/64/54/87/326645487.db2.gz XIBJBVCQVWKCBE-LJQANCHMSA-N 0 3 355.438 2.160 10 0 FEAEHN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000153508078 326734488 /nfs/dbraw/zinc/73/44/88/326734488.db2.gz ZLPCIIBEUMURIF-HNNXBMFYSA-N 0 3 360.462 2.042 10 0 FEAEHN Cc1cc(C)c(C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)c(=O)[nH]1 ZINC000154931215 326772868 /nfs/dbraw/zinc/77/28/68/326772868.db2.gz JWVQYOQWKFZAPK-UHFFFAOYSA-N 0 3 356.426 2.112 10 0 FEAEHN Cc1cccc(OC[C@H](O)CN2CCC(N(C)c3cccnn3)CC2)c1 ZINC000155058927 326776380 /nfs/dbraw/zinc/77/63/80/326776380.db2.gz FQZCMDRARVKWEA-GOSISDBHSA-N 0 3 356.470 2.126 10 0 FEAEHN CCC[C@@H](C(=O)N1CCC[C@H](C2N=NC(=S)N2C2CC2)C1)N(C)C ZINC000155434614 326787966 /nfs/dbraw/zinc/78/79/66/326787966.db2.gz LIDAJCAFQYSXQR-JSGCOSHPSA-N 0 3 351.520 2.338 10 0 FEAEHN Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CC[C@H](N(C)C)C3)cn2)cc1 ZINC000170844198 327102197 /nfs/dbraw/zinc/10/21/97/327102197.db2.gz IAZWLVRTWCJJBR-INIZCTEOSA-N 0 3 368.437 2.283 10 0 FEAEHN Cc1cccc(C(=O)N2CC[C@H](N(C)C)C2)c1I ZINC000170866222 327104161 /nfs/dbraw/zinc/10/41/61/327104161.db2.gz ICFDRUUJBJQZGY-NSHDSACASA-N 0 3 358.223 2.376 10 0 FEAEHN COc1ccccc1C(C)(C)NC[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000171672858 327154355 /nfs/dbraw/zinc/15/43/55/327154355.db2.gz QZFNMZBUYFHEGY-AWEZNQCLSA-N 0 3 368.433 2.177 10 0 FEAEHN C[C@@H]1CN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCS1 ZINC000171691417 327155440 /nfs/dbraw/zinc/15/54/40/327155440.db2.gz QGMBVIOOOSNMOF-OAHLLOKOSA-N 0 3 351.491 2.302 10 0 FEAEHN COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000171888134 327167684 /nfs/dbraw/zinc/16/76/84/327167684.db2.gz JLFNTKCLFJBALV-MRXNPFEDSA-N 0 3 372.469 2.385 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)COCc3ccccc3)CC2)nc1 ZINC000172223574 327188130 /nfs/dbraw/zinc/18/81/30/327188130.db2.gz LGICPOWMTPVWHI-UHFFFAOYSA-N 0 3 368.481 2.009 10 0 FEAEHN COCCCN(C)C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000173501728 327261964 /nfs/dbraw/zinc/26/19/64/327261964.db2.gz NDAUSXAARKYDTO-IBGZPJMESA-N 0 3 363.502 2.110 10 0 FEAEHN C[C@@H](CNC(=O)NC[C@H](O)CN1CCCCC1)c1ccc(F)cc1F ZINC000173507722 327262581 /nfs/dbraw/zinc/26/25/81/327262581.db2.gz TYFSPKHNFPPRNB-ZFWWWQNUSA-N 0 3 355.429 2.214 10 0 FEAEHN C[C@H](CNC(=O)NC[C@@H](O)CN1CCCCC1)c1ccc(F)cc1F ZINC000173507764 327262594 /nfs/dbraw/zinc/26/25/94/327262594.db2.gz TYFSPKHNFPPRNB-UKRRQHHQSA-N 0 3 355.429 2.214 10 0 FEAEHN C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000173580392 327268524 /nfs/dbraw/zinc/26/85/24/327268524.db2.gz WVSNIGODKLBQGB-IJEWVQPXSA-N 0 3 367.515 2.275 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000173727528 327279440 /nfs/dbraw/zinc/27/94/40/327279440.db2.gz PDRSZWNOLNWXSG-UONOGXRCSA-N 0 3 369.462 2.031 10 0 FEAEHN C[C@H](Oc1cccc(Br)c1)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000173792659 327284233 /nfs/dbraw/zinc/28/42/33/327284233.db2.gz RJOXKBKQSODJHG-WFASDCNBSA-N 0 3 371.275 2.005 10 0 FEAEHN Cc1cnn(CCNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000174270096 327316465 /nfs/dbraw/zinc/31/64/65/327316465.db2.gz WJYQCYMXHMWFKC-IBGZPJMESA-N 0 3 355.486 2.498 10 0 FEAEHN C[C@@H](NC[C@H](O)c1cccc(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000174659561 327341910 /nfs/dbraw/zinc/34/19/10/327341910.db2.gz WCHOUFOKXQTGOM-BZNIZROVSA-N 0 3 354.859 2.372 10 0 FEAEHN CN(C)CCn1ccc(NC(=O)NC2(c3noc(C4CC4)n3)CCCC2)n1 ZINC000176576408 327464390 /nfs/dbraw/zinc/46/43/90/327464390.db2.gz TWRSKDRCSUJUSE-UHFFFAOYSA-N 0 3 373.461 2.296 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)N[C@@H](C(=O)NC)C(C)C)c1ccsc1 ZINC000178426250 327584435 /nfs/dbraw/zinc/58/44/35/327584435.db2.gz RAMOHYXDBUHUGK-LSDHHAIUSA-N 0 3 354.520 2.201 10 0 FEAEHN C[C@@H]1CN(S(=O)(=O)c2sccc2Br)C[C@H]1N(C)C ZINC000251724634 328789692 /nfs/dbraw/zinc/78/96/92/328789692.db2.gz KBPPJVZUKZLXJO-PSASIEDQSA-N 0 3 353.307 2.081 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)[C@H]1NCCO[C@@H]1C)c1ccccc1Cl ZINC000262348407 328860582 /nfs/dbraw/zinc/86/05/82/328860582.db2.gz UIBRHZRWCIUSJA-XYPHTWIQSA-N 0 3 353.894 2.216 10 0 FEAEHN N[C@H](C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000262661961 328879389 /nfs/dbraw/zinc/87/93/89/328879389.db2.gz GPLMMPUIFUFCPF-RTWAWAEBSA-N 0 3 367.493 2.248 10 0 FEAEHN Cc1nn(-c2ccccc2)c(C)c1Cc1nc([C@@H]2CNCCN2C)no1 ZINC000263110612 328916326 /nfs/dbraw/zinc/91/63/26/328916326.db2.gz AHPWPHDPYXHNRN-KRWDZBQOSA-N 0 3 352.442 2.039 10 0 FEAEHN CCc1c(-c2nc([C@@H]3CNCCN3C)no2)cnn1-c1ccc(F)cc1 ZINC000263161425 328921261 /nfs/dbraw/zinc/92/12/61/328921261.db2.gz DWGMZGLQECDECG-INIZCTEOSA-N 0 3 356.405 2.200 10 0 FEAEHN CN1CCNC[C@H]1c1noc(Cc2cn3cc(Cl)cc(Cl)c3n2)n1 ZINC000263266436 328929369 /nfs/dbraw/zinc/92/93/69/328929369.db2.gz RPPLCOCIPAFTGU-LBPRGKRZSA-N 0 3 367.240 2.191 10 0 FEAEHN CCc1c(-c2nc([C@@H]3CNCCN3C)no2)cnn1Cc1ccccc1 ZINC000263314656 328932332 /nfs/dbraw/zinc/93/23/32/328932332.db2.gz ZHJALCOATUWSIV-KRWDZBQOSA-N 0 3 352.442 2.120 10 0 FEAEHN CC(=O)NCc1cc2n(n1)CCN(Cc1cc(CN3CCCC3)cs1)C2 ZINC000082086530 519674782 /nfs/dbraw/zinc/67/47/82/519674782.db2.gz OLRNNGZYZKYOPW-UHFFFAOYSA-N 0 3 373.526 2.192 10 0 FEAEHN C[C@H](NC(=O)CN1CCO[C@H](CN(C)C)C1)c1ccc2c(c1)CCCC2 ZINC000155338914 545514227 /nfs/dbraw/zinc/51/42/27/545514227.db2.gz CBNBKYXHTXUHDG-OXJNMPFZSA-N 0 3 359.514 2.005 10 0 FEAEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000157269058 545722004 /nfs/dbraw/zinc/72/20/04/545722004.db2.gz XOMFNLBOKJUKBJ-IBGZPJMESA-N 0 3 369.513 2.482 10 0 FEAEHN COc1cccc(CCC(=O)NC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000159213801 545932324 /nfs/dbraw/zinc/93/23/24/545932324.db2.gz QUJNPIITFCLLLT-FQEVSTJZSA-N 0 3 368.477 2.163 10 0 FEAEHN Cc1noc(C)c1[C@H](C)CC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000159323445 545943674 /nfs/dbraw/zinc/94/36/74/545943674.db2.gz AXZVPGBVCPDECO-KUHUBIRLSA-N 0 3 371.481 2.320 10 0 FEAEHN COc1ccc([C@@H](C)CCNC(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000175640182 546326469 /nfs/dbraw/zinc/32/64/69/546326469.db2.gz VIKMQRADGQWVSP-WMZOPIPTSA-N 0 3 363.502 2.335 10 0 FEAEHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000176074958 546401767 /nfs/dbraw/zinc/40/17/67/546401767.db2.gz ZWXNWFNQUDHGFQ-GOSISDBHSA-N 0 3 369.469 2.092 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000176210735 546419850 /nfs/dbraw/zinc/41/98/50/546419850.db2.gz BOTJJGHBTDRFEK-OALUTQOASA-N 0 3 372.513 2.476 10 0 FEAEHN CCNC(=O)COc1ccc(NC(=O)N(C)C[C@H]2CCCN2CC)cc1 ZINC000176289037 546427601 /nfs/dbraw/zinc/42/76/01/546427601.db2.gz VGDXEKGYEYNNOG-MRXNPFEDSA-N 0 3 362.474 2.150 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccccc1SCC(N)=O ZINC000176295139 546428852 /nfs/dbraw/zinc/42/88/52/546428852.db2.gz DWXZTILJSPVUSL-CYBMUJFWSA-N 0 3 350.488 2.212 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCCc1csc(N2CCCC2)n1 ZINC000176401498 546441382 /nfs/dbraw/zinc/44/13/82/546441382.db2.gz FGONFNOIDQJGHL-MRXNPFEDSA-N 0 3 365.547 2.412 10 0 FEAEHN O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)N1CCN2CCC[C@H]2C1 ZINC000176686782 546476541 /nfs/dbraw/zinc/47/65/41/546476541.db2.gz QXSREKOOJXWSMR-KRWDZBQOSA-N 0 3 370.428 2.348 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCCN(c3nccs3)CC2)C1 ZINC000176838216 546495268 /nfs/dbraw/zinc/49/52/68/546495268.db2.gz LQQTUPVTNJEEAI-CABCVRRESA-N 0 3 351.520 2.094 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(OC(F)F)c1 ZINC000176895716 546503135 /nfs/dbraw/zinc/50/31/35/546503135.db2.gz DBDJGINAVBEHDP-ZDUSSCGKSA-N 0 3 355.385 2.169 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(OC)ccc1Cl ZINC000176899484 546504139 /nfs/dbraw/zinc/50/41/39/546504139.db2.gz YQZQGRPRCBHIND-GFCCVEGCSA-N 0 3 353.850 2.230 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O ZINC000176970738 546515648 /nfs/dbraw/zinc/51/56/48/546515648.db2.gz UEDHQCOSLLCZJS-CYBMUJFWSA-N 0 3 359.470 2.086 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)CCN1c2ccccc2O[C@H](C)C1=O ZINC000176985532 546517816 /nfs/dbraw/zinc/51/78/16/546517816.db2.gz IFCNUTFFMVWBPF-CVEARBPZSA-N 0 3 359.470 2.133 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Cc1csc(NC(=O)C(C)C)n1 ZINC000176978315 546518501 /nfs/dbraw/zinc/51/85/01/546518501.db2.gz SYDNNEBMUJXSOH-CQSZACIVSA-N 0 3 352.504 2.223 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O ZINC000177017521 546524043 /nfs/dbraw/zinc/52/40/43/546524043.db2.gz ULWQMPSHKWWFOD-HNNXBMFYSA-N 0 3 372.444 2.236 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000177013274 546524132 /nfs/dbraw/zinc/52/41/32/546524132.db2.gz WEZFFCMYYMIJRC-RDJZCZTQSA-N 0 3 363.527 2.224 10 0 FEAEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)CCn1cccn1 ZINC000177456351 546623028 /nfs/dbraw/zinc/62/30/28/546623028.db2.gz HMNJBFSMPWMVPW-FQEVSTJZSA-N 0 3 370.497 2.177 10 0 FEAEHN Cc1cc(C(=O)N(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)[nH]n1 ZINC000177472277 546626509 /nfs/dbraw/zinc/62/65/09/546626509.db2.gz ATRBQHIFIJRFIE-LJQANCHMSA-N 0 3 356.470 2.236 10 0 FEAEHN Cc1cc(C(=O)N(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)n[nH]1 ZINC000177472277 546626512 /nfs/dbraw/zinc/62/65/12/546626512.db2.gz ATRBQHIFIJRFIE-LJQANCHMSA-N 0 3 356.470 2.236 10 0 FEAEHN O=C(Nc1cccc(Oc2ccccn2)c1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177688781 546668080 /nfs/dbraw/zinc/66/80/80/546668080.db2.gz MIKSIIBTXOWFTF-INIZCTEOSA-N 0 3 366.421 2.119 10 0 FEAEHN O=C(Nc1nc(-c2ccccc2F)cs1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177692218 546669204 /nfs/dbraw/zinc/66/92/04/546669204.db2.gz MXEIWHNZISNXAT-GFCCVEGCSA-N 0 3 374.441 2.194 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000177707886 546671898 /nfs/dbraw/zinc/67/18/98/546671898.db2.gz VLLHMHLEMBTYLF-CABCVRRESA-N 0 3 354.292 2.392 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000177974936 546716070 /nfs/dbraw/zinc/71/60/70/546716070.db2.gz VUXLCULYXLNNJX-GFCCVEGCSA-N 0 3 371.279 2.096 10 0 FEAEHN CNC(=O)[C@H](NC(=O)N1CCCN(CCCc2ccccc2)CC1)C(C)C ZINC000178448679 546795831 /nfs/dbraw/zinc/79/58/31/546795831.db2.gz QUCFAYGAYIEZIY-LJQANCHMSA-N 0 3 374.529 2.107 10 0 FEAEHN CN(C)c1nnc(-c2ccc(NC(=O)N3CCN4CCC[C@H]4C3)cc2)o1 ZINC000179766035 547010590 /nfs/dbraw/zinc/01/05/90/547010590.db2.gz SGGLQGMCDOWJJD-HNNXBMFYSA-N 0 3 356.430 2.115 10 0 FEAEHN C[C@@H]1CN(Cc2ccc(Oc3cnccn3)cc2)C[C@@H]1N1CCOCC1 ZINC000180235216 547070904 /nfs/dbraw/zinc/07/09/04/547070904.db2.gz LGMIYLPKHXTCHG-APWZRJJASA-N 0 3 354.454 2.421 10 0 FEAEHN CCN1CCN(C(=O)[C@H](C)N[C@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000180668819 547154119 /nfs/dbraw/zinc/15/41/19/547154119.db2.gz LKSIFEWSXYJTNI-SJORKVTESA-N 0 3 355.486 2.076 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1cccnc1Cl ZINC000180900680 547205040 /nfs/dbraw/zinc/20/50/40/547205040.db2.gz PFOPJFKWKMPLPF-ZDUSSCGKSA-N 0 3 360.845 2.310 10 0 FEAEHN CC(=O)N1CCC(CNC(=O)N[C@@H](C)CN(C)Cc2ccccc2)CC1 ZINC000181300789 547289075 /nfs/dbraw/zinc/28/90/75/547289075.db2.gz QJFWMVSLHSVWSQ-INIZCTEOSA-N 0 3 360.502 2.065 10 0 FEAEHN CNC(=O)CC1CCN(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)CC1 ZINC000181338419 547296080 /nfs/dbraw/zinc/29/60/80/547296080.db2.gz ABFYWNVGSCDORM-INIZCTEOSA-N 0 3 360.502 2.065 10 0 FEAEHN CN(CCN1CCN(C(=O)c2ccc(O)cc2)CC1)Cc1ccc(F)cc1 ZINC000181749053 547372480 /nfs/dbraw/zinc/37/24/80/547372480.db2.gz ANPYBCHLNWUYFD-UHFFFAOYSA-N 0 3 371.456 2.421 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(N2CCCC2)nn1 ZINC000182542431 547511269 /nfs/dbraw/zinc/51/12/69/547511269.db2.gz RSSZGAOSZHNCSA-INIZCTEOSA-N 0 3 353.470 2.327 10 0 FEAEHN C[C@H](NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)[C@H]1CCCO1 ZINC000183101218 547602437 /nfs/dbraw/zinc/60/24/37/547602437.db2.gz ZIPHDBDPICWTET-MAUKXSAKSA-N 0 3 359.470 2.021 10 0 FEAEHN COCCCS(=O)(=O)NCCN[C@@H]1c2ccccc2CCC1(C)C ZINC000183221804 547623447 /nfs/dbraw/zinc/62/34/47/547623447.db2.gz YUWYRJMOSVUUIZ-QGZVFWFLSA-N 0 3 354.516 2.246 10 0 FEAEHN COc1cccc([C@@H]2[C@H](NC(=O)N3CC[C@H](N(C)C)C3)CCN2C2CC2)c1 ZINC000183765043 547716303 /nfs/dbraw/zinc/71/63/03/547716303.db2.gz FSKLSHYFNHZOSO-DFQSSKMNSA-N 0 3 372.513 2.319 10 0 FEAEHN O[C@H](COCc1ccc(Cl)cc1)CN1CCOCC2(CCOCC2)C1 ZINC000184099254 547769297 /nfs/dbraw/zinc/76/92/97/547769297.db2.gz UZZALFIEWRCDJV-SFHVURJKSA-N 0 3 369.889 2.347 10 0 FEAEHN CCN1CCN(c2cccc(NC(=O)[C@@H](C)NC(=O)c3ccco3)c2)CC1 ZINC000185289240 547964862 /nfs/dbraw/zinc/96/48/62/547964862.db2.gz IUDXGFTZTQVPFS-OAHLLOKOSA-N 0 3 370.453 2.179 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000185679886 548019036 /nfs/dbraw/zinc/01/90/36/548019036.db2.gz QZXOBLPMJNIFFA-GBESFXJTSA-N 0 3 361.486 2.053 10 0 FEAEHN CCc1c(C(=O)NC[C@H](O)CN2CCCCC2)cnn1-c1ccccc1C ZINC000186184570 548096701 /nfs/dbraw/zinc/09/67/01/548096701.db2.gz ZADZCMYOOHHJES-KRWDZBQOSA-N 0 3 370.497 2.320 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCC1CCN(CC(F)(F)F)CC1 ZINC000186781090 548191156 /nfs/dbraw/zinc/19/11/56/548191156.db2.gz QBZAXCHELOPFAW-HNNXBMFYSA-N 0 3 364.456 2.386 10 0 FEAEHN CCN1CCCC[C@@H]1CNC(=O)N1CCO[C@H](c2nc(C)cs2)C1 ZINC000194239411 548453559 /nfs/dbraw/zinc/45/35/59/548453559.db2.gz CWHIFEUUIUHTIF-CABCVRRESA-N 0 3 352.504 2.409 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NC1CCN(CC(F)(F)F)CC1 ZINC000194522093 548494498 /nfs/dbraw/zinc/49/44/98/548494498.db2.gz XDRICTZOXZWORY-CQSZACIVSA-N 0 3 352.445 2.289 10 0 FEAEHN COC[C@H](NC(=O)NC[C@H](O)CN1CCCCC1)c1ccc(Cl)cc1 ZINC000194631654 548508917 /nfs/dbraw/zinc/50/89/17/548508917.db2.gz MJDGWEJCJMCJMU-IRXDYDNUSA-N 0 3 369.893 2.174 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(CC(=O)N[C@@H](C)C(C)C)C1 ZINC000195254168 548604027 /nfs/dbraw/zinc/60/40/27/548604027.db2.gz BTGKFHDLMWZWCC-GOEBONIOSA-N 0 3 352.548 2.366 10 0 FEAEHN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1CCN2CCC[C@H]2C1 ZINC000195333885 548626159 /nfs/dbraw/zinc/62/61/59/548626159.db2.gz CIMWPUJLUPQFMN-SFHVURJKSA-N 0 3 356.445 2.477 10 0 FEAEHN CN(CCOc1ccccc1F)C(=O)CN1CCC(c2ccn[nH]2)CC1 ZINC000195507532 548651663 /nfs/dbraw/zinc/65/16/63/548651663.db2.gz YTANVDPSDQCUMK-UHFFFAOYSA-N 0 3 360.433 2.266 10 0 FEAEHN Cc1cccc(C)c1OCCNC(=O)CN1CCC(c2ccn[nH]2)CC1 ZINC000195507351 548651728 /nfs/dbraw/zinc/65/17/28/548651728.db2.gz BBGZAIUYKPKVHX-UHFFFAOYSA-N 0 3 356.470 2.401 10 0 FEAEHN CCC[C@@H](N)C(=O)N1CCN(Cc2csc([C@@H](C)OCC)n2)CC1 ZINC000236923103 548789080 /nfs/dbraw/zinc/78/90/80/548789080.db2.gz KSUDEDRMMOEBNU-UKRRQHHQSA-N 0 3 354.520 2.012 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000237042455 548795981 /nfs/dbraw/zinc/79/59/81/548795981.db2.gz ZSNWIROIIJTQHQ-XHDPSFHLSA-N 0 3 352.866 2.286 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C[C@H]1c2ccccc2CCN1C(C)=O ZINC000245438101 548919915 /nfs/dbraw/zinc/91/99/15/548919915.db2.gz XLJQGNFMJCHMQL-QUCCMNQESA-N 0 3 357.498 2.465 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000245455820 548924863 /nfs/dbraw/zinc/92/48/63/548924863.db2.gz AYJVNJVGMCVPEU-KBAYOESNSA-N 0 3 358.486 2.306 10 0 FEAEHN C[C@@H]1CN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C[C@H]1N1CCOCC1 ZINC000245736866 548985268 /nfs/dbraw/zinc/98/52/68/548985268.db2.gz FSOXWNXCUQGJKG-DKSSEZFCSA-N 0 3 363.889 2.486 10 0 FEAEHN COc1cc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)ccc1OC(=O)C1CC1 ZINC000245803230 548997082 /nfs/dbraw/zinc/99/70/82/548997082.db2.gz YDFMMCWMSNEAGO-MAUKXSAKSA-N 0 3 374.481 2.163 10 0 FEAEHN CC(C)c1ccccc1OC[C@H](O)CN1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246121379 549057657 /nfs/dbraw/zinc/05/76/57/549057657.db2.gz LJVNFAXVWKMBTL-NLWGTHIKSA-N 0 3 362.514 2.202 10 0 FEAEHN Cc1nc(C[C@@H]2CCCN(C(=O)NC[C@H](C)N3CCC[C@@H](C)C3)C2)no1 ZINC000246129814 549058536 /nfs/dbraw/zinc/05/85/36/549058536.db2.gz MEZZMJMIRUYCPT-VYDXJSESSA-N 0 3 363.506 2.463 10 0 FEAEHN CNC(=O)[C@H](NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)C(C)C ZINC000246266483 549092325 /nfs/dbraw/zinc/09/23/25/549092325.db2.gz YEURRTALCJWQJH-NUEKZKHPSA-N 0 3 366.531 2.201 10 0 FEAEHN CCS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000246266527 549092359 /nfs/dbraw/zinc/09/23/59/549092359.db2.gz ABZAIQAVEMPFAD-CZUORRHYSA-N 0 3 353.488 2.330 10 0 FEAEHN CN(C[C@H](c1cccs1)N1CCOCC1)C[C@H](O)COC(C)(C)C ZINC000246377133 549119447 /nfs/dbraw/zinc/11/94/47/549119447.db2.gz OJSHBVMWVWLWGO-JKSUJKDBSA-N 0 3 356.532 2.229 10 0 FEAEHN CCc1cc2c(C[N@H+]3C[C@H](N4CCOCC4)[C@@H](C)C3)cc(=O)oc2cc1[O-] ZINC000246509559 549149572 /nfs/dbraw/zinc/14/95/72/549149572.db2.gz QMZBRNACKSTWEJ-KSSFIOAISA-N 0 3 372.465 2.214 10 0 FEAEHN CCc1cc2c(C[N@@H+]3C[C@H](N4CCOCC4)[C@@H](C)C3)cc(=O)oc2cc1[O-] ZINC000246509559 549149575 /nfs/dbraw/zinc/14/95/75/549149575.db2.gz QMZBRNACKSTWEJ-KSSFIOAISA-N 0 3 372.465 2.214 10 0 FEAEHN COCCN1CCN(C[C@H](O)CO[C@H]2CCCc3ccccc32)C[C@H]1C ZINC000246576296 549164689 /nfs/dbraw/zinc/16/46/89/549164689.db2.gz RWPLUIIPNYZIMS-LMNJBCLMSA-N 0 3 362.514 2.094 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc3cnn(C(C)C)c3c2)C1 ZINC000246602084 549173214 /nfs/dbraw/zinc/17/32/14/549173214.db2.gz ZRDTTZYECABRBK-WMLDXEAASA-N 0 3 371.485 2.401 10 0 FEAEHN C[C@@H]1CN(C[C@@H](O)COc2cccc3ccccc32)C[C@H]1N1CCOCC1 ZINC000246623127 549176236 /nfs/dbraw/zinc/17/62/36/549176236.db2.gz ZAAGRSYRNCZPKG-YFVAEKQCSA-N 0 3 370.493 2.232 10 0 FEAEHN CC[C@H](NC(=O)N1CC[C@@H](N(C)C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000246648566 549182806 /nfs/dbraw/zinc/18/28/06/549182806.db2.gz ZATQOJWJTXFTHI-HSALFYBXSA-N 0 3 374.529 2.012 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)C1 ZINC000246773078 549209289 /nfs/dbraw/zinc/20/92/89/549209289.db2.gz CENNFYHVRXUCPQ-ZTFGCOKTSA-N 0 3 359.470 2.263 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1-c1ncco1 ZINC000247107795 549284048 /nfs/dbraw/zinc/28/40/48/549284048.db2.gz OZOCJGGEJZVQMR-RHSMWYFYSA-N 0 3 370.453 2.433 10 0 FEAEHN CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000247235445 549304576 /nfs/dbraw/zinc/30/45/76/549304576.db2.gz DIYPJBCCGHYJCA-GDBMZVCRSA-N 0 3 367.515 2.325 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N(C)Cc2ccc([S@](C)=O)cc2)C1 ZINC000247288207 549312515 /nfs/dbraw/zinc/31/25/15/549312515.db2.gz KQJPLRMAKBELOU-VNAOBRGMSA-N 0 3 351.516 2.294 10 0 FEAEHN CC[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2)CCN1CCOC ZINC000247810553 549382761 /nfs/dbraw/zinc/38/27/61/549382761.db2.gz UUISJIBIOXHSNH-IAGOWNOFSA-N 0 3 356.894 2.122 10 0 FEAEHN CC[C@@H]1CN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CCN1CCOC ZINC000247980033 549398049 /nfs/dbraw/zinc/39/80/49/549398049.db2.gz HHTUBKYNQPBJJJ-HSALFYBXSA-N 0 3 374.529 2.184 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1CCCS(=O)(=O)c1ccccc1OC ZINC000248614747 549468349 /nfs/dbraw/zinc/46/83/49/549468349.db2.gz IBMUWNWJMSLQSN-IRXDYDNUSA-N 0 3 366.527 2.418 10 0 FEAEHN COc1ccccc1-n1ncc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)c1C ZINC000248666226 549480707 /nfs/dbraw/zinc/48/07/07/549480707.db2.gz NKWRMLHWXFBOIS-GDBMZVCRSA-N 0 3 354.454 2.498 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1-c1ncco1 ZINC000249178846 549566362 /nfs/dbraw/zinc/56/63/62/549566362.db2.gz MRWBFDNYQMARDS-GDBMZVCRSA-N 0 3 368.437 2.284 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(SC(F)F)nc1 ZINC000249269067 549574401 /nfs/dbraw/zinc/57/44/01/549574401.db2.gz ZWBKOPWLTOTPCH-JQWIXIFHSA-N 0 3 370.425 2.030 10 0 FEAEHN CC(=O)NC[C@H]1CCCN(C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000249809076 549629861 /nfs/dbraw/zinc/62/98/61/549629861.db2.gz HDDGHMQUMYGMDF-SJLPKXTDSA-N 0 3 354.878 2.066 10 0 FEAEHN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)C2(N)CCOCC2)CC1 ZINC000261651824 549738748 /nfs/dbraw/zinc/73/87/48/549738748.db2.gz AOSDNCAGUNGMED-KRWDZBQOSA-N 0 3 367.440 2.068 10 0 FEAEHN NC1(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)CCOCC1 ZINC000261866287 549763929 /nfs/dbraw/zinc/76/39/29/549763929.db2.gz NOSHRUXTIURKSR-UHFFFAOYSA-N 0 3 359.470 2.330 10 0 FEAEHN CN1CCNC[C@H]1c1noc(CN[C@H](c2ccccc2)C(F)(F)F)n1 ZINC000263261374 549890055 /nfs/dbraw/zinc/89/00/55/549890055.db2.gz QZKDUASXJKLMSJ-GXTWGEPZSA-N 0 3 355.364 2.039 10 0 FEAEHN CCOC(=O)c1cnc2ccc(F)cc2c1N1CCO[C@H](CN(C)C)C1 ZINC000301669794 553670523 /nfs/dbraw/zinc/67/05/23/553670523.db2.gz NHUJZLIZQFHZPT-CQSZACIVSA-N 0 3 361.417 2.317 10 0 FEAEHN CCN1CCC[C@@H](CN(C)Cc2cnc3ncccn23)[C@@H]1c1cnn(C)c1 ZINC000328631932 553799736 /nfs/dbraw/zinc/79/97/36/553799736.db2.gz KYWFRBUHUIQAMV-QFBILLFUSA-N 0 3 367.501 2.368 10 0 FEAEHN CC[C@H]1CN(Cn2nc(C3CC3)n(CC)c2=S)CCN1CCOC ZINC000117324462 670914902 /nfs/dbraw/zinc/91/49/02/670914902.db2.gz IQZVUPORODAJTA-HNNXBMFYSA-N 0 3 353.536 2.311 10 0 FEAEHN CC(=O)N1CSC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000123355740 671978752 /nfs/dbraw/zinc/97/87/52/671978752.db2.gz FIPBUUOVCZFBLP-ROUUACIJSA-N 0 3 361.511 2.079 10 0 FEAEHN CN(C)C[C@H]1CN(Cn2nc(Cc3cccc(F)c3)oc2=S)CCO1 ZINC000152965554 672191158 /nfs/dbraw/zinc/19/11/58/672191158.db2.gz CVFAXPJPZKKJQU-HNNXBMFYSA-N 0 3 366.462 2.155 10 0 FEAEHN CC(=O)N1CCC([C@@H]2CN(Cc3cccc(F)c3F)C[C@H]2CO)CC1 ZINC000169789041 672322373 /nfs/dbraw/zinc/32/23/73/672322373.db2.gz WAJKCUVTTGBHCI-IRXDYDNUSA-N 0 3 352.425 2.264 10 0 FEAEHN CC[C@H](O)CN1CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000174086087 672357592 /nfs/dbraw/zinc/35/75/92/672357592.db2.gz OYTHWKCMYJZEMD-KRWDZBQOSA-N 0 3 355.523 2.022 10 0 FEAEHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000182427925 672445161 /nfs/dbraw/zinc/44/51/61/672445161.db2.gz IOLPEUVTZZYWRB-LBPRGKRZSA-N 0 3 350.431 2.339 10 0 FEAEHN COc1ccc2c(c1)C=C(S(=O)(=O)N1C[C@@H]3CCCN3C[C@H]1C)CC2 ZINC000248588848 672858650 /nfs/dbraw/zinc/85/86/50/672858650.db2.gz GSGNPBPPCUEXLZ-PBHICJAKSA-N 0 3 362.495 2.481 10 0 FEAEHN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNCc2cc(F)c(F)c(F)c2)C1 ZINC000702761130 673058662 /nfs/dbraw/zinc/05/86/62/673058662.db2.gz ANKLIVZZDBXDKT-SMDDNHRTSA-N 0 3 360.376 2.421 10 0 FEAEHN CCCC[C@@H]1CN(CCC(=O)NCCn2cncn2)Cc2ccccc2O1 ZINC000012130153 539545082 /nfs/dbraw/zinc/54/50/82/539545082.db2.gz PFOGZBGXJAYRED-GOSISDBHSA-N 0 3 371.485 2.238 10 0 FEAEHN COc1ccc2cc(CNC(=O)NC[C@H](O)CN3CCCCC3)ccc2c1 ZINC000049175356 540384377 /nfs/dbraw/zinc/38/43/77/540384377.db2.gz PQHSMPARVHHCCJ-IBGZPJMESA-N 0 3 371.481 2.494 10 0 FEAEHN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)N[C@@H]2CCCN(CC)C2)c1 ZINC000052525369 540471185 /nfs/dbraw/zinc/47/11/85/540471185.db2.gz JFMPCWKBTRFGAE-CRAIPNDOSA-N 0 3 360.502 2.498 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc(C)cc2OCC(=O)N(C)C)C1 ZINC000056752872 540742578 /nfs/dbraw/zinc/74/25/78/540742578.db2.gz ZINQQLDOCKHVID-HNNXBMFYSA-N 0 3 362.474 2.068 10 0 FEAEHN O=C(c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1)N1CCSCC1 ZINC000065255957 541230719 /nfs/dbraw/zinc/23/07/19/541230719.db2.gz NDFPBUPEUQSDGD-SFHVURJKSA-N 0 3 368.506 2.422 10 0 FEAEHN CC(C)c1ccc([C@H](C)NCCNS(=O)(=O)c2cnn(C)c2)cc1 ZINC000072556636 541830745 /nfs/dbraw/zinc/83/07/45/541830745.db2.gz WRQKAKRBDOUVJG-AWEZNQCLSA-N 0 3 350.488 2.173 10 0 FEAEHN CCOc1ccccc1C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019520078 220266758 /nfs/dbraw/zinc/26/67/58/220266758.db2.gz LLQPQUKUEXFCIG-KRWDZBQOSA-N 0 3 352.438 2.498 10 0 FEAEHN CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(C(=O)CNC(C)(C)C)c1 ZINC000077301571 542364125 /nfs/dbraw/zinc/36/41/25/542364125.db2.gz TWHUHQNUVSCRPV-UHFFFAOYSA-N 0 3 365.430 2.378 10 0 in-vitro FEAEHN CC(=O)Nc1cccc2nc(CN3CCN(C(C)C)[C@@H](CCO)C3)ccc21 ZINC000020202661 220317381 /nfs/dbraw/zinc/31/73/81/220317381.db2.gz RDMAUMXUCPKSEJ-SFHVURJKSA-N 0 3 370.497 2.470 10 0 FEAEHN Cc1nc(-c2cc(=O)[n-]c(-c3ccc(CN4CC[NH2+]CC4)cc3)n2)cs1 ZINC000082039475 542682345 /nfs/dbraw/zinc/68/23/45/542682345.db2.gz DPWGXIUVFDAFNG-UHFFFAOYSA-N 0 3 367.478 2.274 10 0 FEAEHN CCc1cc2c(ncnc2NC2CCN(C[C@@H](O)COC)CC2)s1 ZINC000089646285 542767328 /nfs/dbraw/zinc/76/73/28/542767328.db2.gz VKDHEBWJWBBASR-CYBMUJFWSA-N 0 3 350.488 2.137 10 0 FEAEHN O=c1[nH]c2cccnc2c(=O)n1C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000095442928 542970016 /nfs/dbraw/zinc/97/00/16/542970016.db2.gz XKWLCWSFXZMQGZ-CYBMUJFWSA-N 0 3 356.451 2.059 10 0 FEAEHN NC(=O)c1ccsc1NC(=O)CCN1CC[C@@H](CNc2ccccn2)C1 ZINC000103473691 543109245 /nfs/dbraw/zinc/10/92/45/543109245.db2.gz LDMGVTYXYAMIPZ-ZDUSSCGKSA-N 0 3 373.482 2.005 10 0 FEAEHN Cc1ccc(OC[C@H](O)CN2CCCN(c3cccnn3)CC2)c(C)c1 ZINC000106068666 543188291 /nfs/dbraw/zinc/18/82/91/543188291.db2.gz UKORHGCZKAITCV-GOSISDBHSA-N 0 3 356.470 2.045 10 0 FEAEHN CC[C@@H]1CN(CCC(=O)NCc2ccccc2Cl)CCN1C[C@@H](C)O ZINC000106102795 543197474 /nfs/dbraw/zinc/19/74/74/543197474.db2.gz IGTAUZBRQXHBIY-NVXWUHKLSA-N 0 3 367.921 2.123 10 0 FEAEHN CC[C@@H]1CN(CCC(=O)Nc2ccc(Cl)cc2)CCN1C[C@@H](C)O ZINC000106102194 543197575 /nfs/dbraw/zinc/19/75/75/543197575.db2.gz APQZQGFRRNQLQE-RHSMWYFYSA-N 0 3 353.894 2.446 10 0 FEAEHN CN(Cc1nc(-c2ccco2)no1)C1CCN(CCn2cccn2)CC1 ZINC000106129077 543206033 /nfs/dbraw/zinc/20/60/33/543206033.db2.gz BLYYIFNUVAUCPI-UHFFFAOYSA-N 0 3 356.430 2.123 10 0 FEAEHN CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC[C@H](n3cc(C)cn3)C2)cc1 ZINC000106221173 543220081 /nfs/dbraw/zinc/22/00/81/543220081.db2.gz VZOLOIUFFUEMSJ-OALUTQOASA-N 0 3 372.469 2.227 10 0 FEAEHN COc1cc(OC)cc(C(=O)N(C)C2CCN(CCn3cccn3)CC2)c1 ZINC000109292453 543320339 /nfs/dbraw/zinc/32/03/39/543320339.db2.gz CSPCXKUZIOPZAN-UHFFFAOYSA-N 0 3 372.469 2.137 10 0 FEAEHN CN(C(=O)CCc1ccccc1O)C1CCN(CCn2cccn2)CC1 ZINC000109291487 543320544 /nfs/dbraw/zinc/32/05/44/543320544.db2.gz RBWHQXJJEQBTLF-UHFFFAOYSA-N 0 3 356.470 2.144 10 0 FEAEHN Cc1cc(C(=O)N(C)C2CCN(CCn3cccn3)CC2)nn1C(C)(C)C ZINC000109292566 543320728 /nfs/dbraw/zinc/32/07/28/543320728.db2.gz UENJRKDIBUDNKV-UHFFFAOYSA-N 0 3 372.517 2.380 10 0 FEAEHN CCc1cccc2c(CCNC(=O)NC[C@@H](O)CN3CCCCC3)c[nH]c21 ZINC000111889495 543423236 /nfs/dbraw/zinc/42/32/36/543423236.db2.gz HYJPGTBKGOSBEC-GOSISDBHSA-N 0 3 372.513 2.419 10 0 FEAEHN CCOc1ccccc1NC(=O)[C@H](C)N[C@H]1CCc2nc(CC)nn2C1 ZINC000112550556 543451264 /nfs/dbraw/zinc/45/12/64/543451264.db2.gz MTFQUQXNXHKAED-KBPBESRZSA-N 0 3 357.458 2.171 10 0 FEAEHN COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)NCCn2cc(C)cn2)c1 ZINC000112552229 543451994 /nfs/dbraw/zinc/45/19/94/543451994.db2.gz COLBSWSVBUEHQL-HUUCEWRRSA-N 0 3 360.458 2.064 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@H](C)C(=O)NCc1ccc(F)cc1)CC2 ZINC000112552087 543452056 /nfs/dbraw/zinc/45/20/56/543452056.db2.gz IHHWFYBOBHTGHJ-CZUORRHYSA-N 0 3 359.449 2.150 10 0 FEAEHN CCc1noc([C@H](C)N2CCN(C(=O)[C@H](C)N3CCCCCC3)CC2)n1 ZINC000114276194 543509108 /nfs/dbraw/zinc/50/91/08/543509108.db2.gz PDOCAEAPWVMSST-HOTGVXAUSA-N 0 3 363.506 2.102 10 0 FEAEHN C[C@@H]1CN(C[C@@H]2CCCN2C[C@@H](O)COCc2ccccc2)C[C@H](C)O1 ZINC000114562620 543524064 /nfs/dbraw/zinc/52/40/64/543524064.db2.gz UHIDQBFNATWYTE-IZZBFERCSA-N 0 3 362.514 2.138 10 0 FEAEHN CC(=O)c1c[nH]c(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)c1 ZINC000115157679 543552953 /nfs/dbraw/zinc/55/29/53/543552953.db2.gz AQQRWINDIFADTA-HXUWFJFHSA-N 0 3 369.465 2.393 10 0 FEAEHN C[C@H](C(=O)N1CCO[C@H](CN(C)C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000116791104 543615817 /nfs/dbraw/zinc/61/58/17/543615817.db2.gz LEOWLVRVVWWQPT-WIYYLYMNSA-N 0 3 373.541 2.119 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000121660215 543698018 /nfs/dbraw/zinc/69/80/18/543698018.db2.gz IPZVBKVBZVJZAN-OAHLLOKOSA-N 0 3 365.522 2.040 10 0 FEAEHN COC(=O)C[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccccc1 ZINC000118640561 543654354 /nfs/dbraw/zinc/65/43/54/543654354.db2.gz MJULMRHZZSCORE-SFHVURJKSA-N 0 3 374.481 2.442 10 0 FEAEHN COc1ccc(C(=O)N2CCO[C@@H](CN(C)C)C2)cc1-c1ccccn1 ZINC000122585942 543711726 /nfs/dbraw/zinc/71/17/26/543711726.db2.gz JXKMVSNPGQXRQM-INIZCTEOSA-N 0 3 355.438 2.160 10 0 FEAEHN CC(C)CNC(=O)N1CCC[C@@H](C(=O)N[C@@H](CN(C)C)c2ccccc2)C1 ZINC000124310408 543813136 /nfs/dbraw/zinc/81/31/36/543813136.db2.gz KYAGCEBQKWZRCR-MOPGFXCFSA-N 0 3 374.529 2.483 10 0 FEAEHN O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127444405 543993330 /nfs/dbraw/zinc/99/33/30/543993330.db2.gz NXAWKCIBRCMDLF-SFHVURJKSA-N 0 3 353.470 2.426 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000129255824 544100878 /nfs/dbraw/zinc/10/08/78/544100878.db2.gz WRAYSAJUIAHSQZ-GOSISDBHSA-N 0 3 369.469 2.047 10 0 FEAEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)C1(O)CCCC1 ZINC000129177575 544095015 /nfs/dbraw/zinc/09/50/15/544095015.db2.gz LPVWWXSDKRWWEH-IBGZPJMESA-N 0 3 360.498 2.196 10 0 FEAEHN CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2CO)c1 ZINC000130612534 544157782 /nfs/dbraw/zinc/15/77/82/544157782.db2.gz OPAXOQPZBQGINO-FUHWJXTLSA-N 0 3 361.486 2.134 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)N2CCC(NC(=O)c3ccccc3)CC2)[C@@H](C)C1 ZINC000132170325 544221925 /nfs/dbraw/zinc/22/19/25/544221925.db2.gz AWMMRHAHNFMASX-LPHOPBHVSA-N 0 3 372.513 2.319 10 0 FEAEHN CCC[C@@H](C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)N(C)C ZINC000136533396 544374104 /nfs/dbraw/zinc/37/41/04/544374104.db2.gz VQLGRQZDGFGPSN-SFHVURJKSA-N 0 3 360.502 2.053 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(N(C)C)c(Cl)c2)[C@@H](C)C1 ZINC000150789177 544471774 /nfs/dbraw/zinc/47/17/74/544471774.db2.gz LOCRMHFBQGJRBR-WFASDCNBSA-N 0 3 366.893 2.189 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000150806019 544474619 /nfs/dbraw/zinc/47/46/19/544474619.db2.gz NEUBYQZRSWBBCI-FZMZJTMJSA-N 0 3 357.376 2.489 10 0 FEAEHN CCOc1cc(Cl)ccc1CNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000152168825 544620946 /nfs/dbraw/zinc/62/09/46/544620946.db2.gz WYIYLCVZSVCIHO-OAHLLOKOSA-N 0 3 355.866 2.211 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000152176078 544622244 /nfs/dbraw/zinc/62/22/44/544622244.db2.gz RMOBNOBHODVVJG-LBPRGKRZSA-N 0 3 374.894 2.317 10 0 FEAEHN CC[C@@H]1CN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CCN1CCOC ZINC000152494302 544661143 /nfs/dbraw/zinc/66/11/43/544661143.db2.gz BBYLYXGJASKGMC-MRXNPFEDSA-N 0 3 372.469 2.268 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000247521735 549350142 /nfs/dbraw/zinc/35/01/42/549350142.db2.gz WTXPZWCKDDFMAX-PJIJBLCYSA-N 0 3 357.479 2.311 10 0 FEAEHN CNC(=O)c1cccc(CCNC(=O)N[C@H](CN(C)C)c2ccccc2)c1 ZINC000153110585 544735160 /nfs/dbraw/zinc/73/51/60/544735160.db2.gz ASPJVXZLYZBDCV-LJQANCHMSA-N 0 3 368.481 2.191 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccnn1-c1ccccc1C ZINC000154084598 544861715 /nfs/dbraw/zinc/86/17/15/544861715.db2.gz QGYCMLYKJQGKSI-MRXNPFEDSA-N 0 3 369.469 2.062 10 0 FEAEHN CC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(C)cc2OCCN(C)C)C1 ZINC000154643630 544931540 /nfs/dbraw/zinc/93/15/40/544931540.db2.gz YYXDSKJPRCHYAB-INIZCTEOSA-N 0 3 362.474 2.068 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(N3CCOC3=O)cc1)CC2 ZINC000180616661 327693788 /nfs/dbraw/zinc/69/37/88/327693788.db2.gz JQKYKSUOUMTRIY-ZFWWWQNUSA-N 0 3 355.442 2.463 10 0 FEAEHN COc1c(CN2CCC(CCCN3CCOCC3)CC2)c(C)nn1C ZINC000180798206 327702479 /nfs/dbraw/zinc/70/24/79/327702479.db2.gz MBMFAWGBYVBRDS-UHFFFAOYSA-N 0 3 350.507 2.062 10 0 FEAEHN CSc1ccc(S(=O)(=O)N2CCO[C@H](CN(C)C)C2)cc1Cl ZINC000185651779 327926247 /nfs/dbraw/zinc/92/62/47/327926247.db2.gz UJHXJJLNGSPHKT-LLVKDONJSA-N 0 3 364.920 2.013 10 0 FEAEHN Cc1cnn(CCNC(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)c1 ZINC000188044267 328062432 /nfs/dbraw/zinc/06/24/32/328062432.db2.gz ZIUVWSIVWUMBHW-LJQANCHMSA-N 0 3 355.486 2.401 10 0 FEAEHN COc1nc(C)c(Br)cc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000188086271 328064949 /nfs/dbraw/zinc/06/49/49/328064949.db2.gz SISYBFCJZIGMTR-LLVKDONJSA-N 0 3 354.248 2.081 10 0 FEAEHN CCN1CCN(Cc2ccc(CNC(=O)[C@H]3CCCO[C@@H]3C)cc2)CC1 ZINC000188736001 328107409 /nfs/dbraw/zinc/10/74/09/328107409.db2.gz LTDKNKAJUXODQS-XLIONFOSSA-N 0 3 359.514 2.255 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)N1CC(NC(=O)C2CCC2)C1)c1ccccc1 ZINC000188774540 328110038 /nfs/dbraw/zinc/11/00/38/328110038.db2.gz NMQCXZDAWBGUQB-LJQANCHMSA-N 0 3 372.513 2.380 10 0 FEAEHN Cc1ncsc1/C=C/C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000188908638 328117293 /nfs/dbraw/zinc/11/72/93/328117293.db2.gz MNVVBBIFCDMVMP-SNAWJCMRSA-N 0 3 359.499 2.284 10 0 FEAEHN CC1(C(=O)N2CC(NC(=O)C3CC3)C2)CCN(Cc2ccccc2)CC1 ZINC000189041978 328125264 /nfs/dbraw/zinc/12/52/64/328125264.db2.gz YPSLWQCUQZJYPN-UHFFFAOYSA-N 0 3 355.482 2.026 10 0 FEAEHN O=C(NC[C@@H](c1ccccc1)C(F)(F)F)NC[C@H](O)CN1CCCCC1 ZINC000189050844 328125798 /nfs/dbraw/zinc/12/57/98/328125798.db2.gz HTGMFKXHECTNAL-HOTGVXAUSA-N 0 3 373.419 2.479 10 0 FEAEHN Cc1ccc(-n2cc(NC(=O)N3CCO[C@H](CN(C)C)C3)cn2)c(C)c1 ZINC000189615481 328158140 /nfs/dbraw/zinc/15/81/40/328158140.db2.gz WWXWUXPRJDSXMH-QGZVFWFLSA-N 0 3 357.458 2.283 10 0 FEAEHN COc1cc(Cl)c(C)cc1NC(=O)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000190091464 328187674 /nfs/dbraw/zinc/18/76/74/328187674.db2.gz XHNNFNUUJMTDSH-STQMWFEESA-N 0 3 365.861 2.291 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1OC(F)F ZINC000190100178 328188215 /nfs/dbraw/zinc/18/82/15/328188215.db2.gz NMIUFQIQBIOWAX-CMPLNLGQSA-N 0 3 371.359 2.061 10 0 FEAEHN CO[C@H](C)[C@H](C)NC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000190229057 328195547 /nfs/dbraw/zinc/19/55/47/328195547.db2.gz BTULPMQLQBDQOR-FCEWJHQRSA-N 0 3 363.502 2.155 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc2cnccc21 ZINC000190344432 328201295 /nfs/dbraw/zinc/20/12/95/328201295.db2.gz UZQKAXQHDGEWIE-JKSUJKDBSA-N 0 3 352.438 2.259 10 0 FEAEHN CCCCNC(=O)[C@@H](C)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190514725 328213244 /nfs/dbraw/zinc/21/32/44/328213244.db2.gz BZSMVUIWYWAZQB-SJORKVTESA-N 0 3 369.550 2.419 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2)C1 ZINC000190528910 328214019 /nfs/dbraw/zinc/21/40/19/328214019.db2.gz PFWRVCASKHWWAT-OAHLLOKOSA-N 0 3 372.494 2.371 10 0 FEAEHN Cc1nnsc1C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000190550258 328215598 /nfs/dbraw/zinc/21/55/98/328215598.db2.gz DZZNASQUDHKBSR-MRXNPFEDSA-N 0 3 360.483 2.022 10 0 FEAEHN CCn1cc([C@H]2CN(C(=O)NCc3cccc(CN(C)C)c3)CCO2)cn1 ZINC000191096863 328249907 /nfs/dbraw/zinc/24/99/07/328249907.db2.gz QWUMYIKJUIFQDU-LJQANCHMSA-N 0 3 371.485 2.248 10 0 FEAEHN CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000191907948 328288266 /nfs/dbraw/zinc/28/82/66/328288266.db2.gz LJBQWCQBWYVHTP-UHFFFAOYSA-N 0 3 362.474 2.165 10 0 FEAEHN COc1cc(NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C)ccc1Cl ZINC000192708580 328334709 /nfs/dbraw/zinc/33/47/09/328334709.db2.gz QLJCRYWSPISRCT-ZDUSSCGKSA-N 0 3 355.866 2.380 10 0 FEAEHN CN(CC(=O)OC(C)(C)C)C1CCN(CCO[C@H]2CCCCO2)CC1 ZINC000193131319 328358954 /nfs/dbraw/zinc/35/89/54/328358954.db2.gz FKSOHERTUMOILZ-SFHVURJKSA-N 0 3 356.507 2.268 10 0 FEAEHN CCn1ncnc1CN(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000193336902 328369645 /nfs/dbraw/zinc/36/96/45/328369645.db2.gz COOIRNJRNBXVAR-IBGZPJMESA-N 0 3 357.502 2.175 10 0 FEAEHN CCCCOC[C@H](O)CN1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000193375519 328371601 /nfs/dbraw/zinc/37/16/01/328371601.db2.gz GAKOTPZJLCWVPA-MRXNPFEDSA-N 0 3 354.516 2.428 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1nc2c(s1)CCCC2 ZINC000193415156 328373857 /nfs/dbraw/zinc/37/38/57/328373857.db2.gz GGHDFBAQXMNKPP-CHWSQXEVSA-N 0 3 362.499 2.046 10 0 FEAEHN C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000027604099 324433937 /nfs/dbraw/zinc/43/39/37/324433937.db2.gz VGEKMUJWEPOAAP-KGLIPLIRSA-N 0 3 361.467 2.413 10 0 FEAEHN CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@H](N)c1ccccc1 ZINC000236759739 328493674 /nfs/dbraw/zinc/49/36/74/328493674.db2.gz AMSDIHALKQALIL-ROUUACIJSA-N 0 3 357.429 2.396 10 0 FEAEHN CCc1nc2cc(NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C)ccc2o1 ZINC000077726338 325009390 /nfs/dbraw/zinc/00/93/90/325009390.db2.gz HELSLTOMXAOHAY-AWEZNQCLSA-N 0 3 360.458 2.421 10 0 FEAEHN CC(C)(C)OC[C@@H](O)CN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000102520909 325494409 /nfs/dbraw/zinc/49/44/09/325494409.db2.gz NMZJXCONUBFNKT-HNNXBMFYSA-N 0 3 360.458 2.487 10 0 FEAEHN CCOc1ccc(OC[C@@H](O)CN2CCC(Cn3cccn3)CC2)cc1 ZINC000106182457 325589366 /nfs/dbraw/zinc/58/93/66/325589366.db2.gz CJYVIPCIAOPVFO-SFHVURJKSA-N 0 3 359.470 2.434 10 0 FEAEHN COc1cc(CN[C@@H]2CCc3ncnn3C2)ccc1OCc1ccncc1 ZINC000109072405 325658251 /nfs/dbraw/zinc/65/82/51/325658251.db2.gz OUOZSTDEHXNDML-QGZVFWFLSA-N 0 3 365.437 2.365 10 0 FEAEHN CN(C(=O)NCCc1cccs1)C1CCN(CCn2cccn2)CC1 ZINC000109390463 325666704 /nfs/dbraw/zinc/66/67/04/325666704.db2.gz WQLSPEFWWCVGRL-UHFFFAOYSA-N 0 3 361.515 2.293 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccccc2)CCO1 ZINC000116784366 326035228 /nfs/dbraw/zinc/03/52/28/326035228.db2.gz VARCOFZXOFRBBG-KRWDZBQOSA-N 0 3 367.449 2.342 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CCO1 ZINC000116785728 326035239 /nfs/dbraw/zinc/03/52/39/326035239.db2.gz FZRKEJLPTRPUOW-JTQLQIEISA-N 0 3 355.847 2.459 10 0 FEAEHN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000116784455 326035367 /nfs/dbraw/zinc/03/53/67/326035367.db2.gz MUDYMEJLASUYIF-KRWDZBQOSA-N 0 3 360.433 2.031 10 0 FEAEHN COc1cc(C(=O)N2CCO[C@@H](CN(C)C)C2)ccc1OC1CCCC1 ZINC000116795460 326036618 /nfs/dbraw/zinc/03/66/18/326036618.db2.gz MERDNMKNUPVSBC-KRWDZBQOSA-N 0 3 362.470 2.419 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NCCSCc2ccccc2F)CCO1 ZINC000117026943 326047925 /nfs/dbraw/zinc/04/79/25/326047925.db2.gz PHPSNBGFYYCPOP-HNNXBMFYSA-N 0 3 355.479 2.031 10 0 FEAEHN Cc1ccc(-c2nc(CCNC(=O)N3CCO[C@@H](CN(C)C)C3)co2)cc1 ZINC000117043288 326049276 /nfs/dbraw/zinc/04/92/76/326049276.db2.gz PUDAGBYIHAPZNJ-SFHVURJKSA-N 0 3 372.469 2.165 10 0 FEAEHN COCCN1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)C[C@@H]1C ZINC000117398170 326059649 /nfs/dbraw/zinc/05/96/49/326059649.db2.gz XPJRGNGCRLSWHX-SFHVURJKSA-N 0 3 374.529 2.013 10 0 FEAEHN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000119990503 326219049 /nfs/dbraw/zinc/21/90/49/326219049.db2.gz OQUVTNNWQVTDSV-IAGOWNOFSA-N 0 3 370.501 2.148 10 0 FEAEHN Cc1nc(CC(C)C)c(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)s1 ZINC000120037813 326224125 /nfs/dbraw/zinc/22/41/25/326224125.db2.gz INVKFNVBEOKSBV-WFASDCNBSA-N 0 3 366.531 2.433 10 0 FEAEHN CN(Cc1ccccc1N1CCOCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000120246189 326243858 /nfs/dbraw/zinc/24/38/58/326243858.db2.gz IOYCZYPZOCIWJR-IBGZPJMESA-N 0 3 367.497 2.414 10 0 FEAEHN COc1cc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)c(SC)cc1OC ZINC000120576633 326269697 /nfs/dbraw/zinc/26/96/97/326269697.db2.gz PNPPBIGZOVCFKD-ZIAGYGMSSA-N 0 3 354.516 2.313 10 0 FEAEHN CC[C@@H]1CN(Cc2cc(O)ccc2Br)CCN1C[C@@H](C)O ZINC000120746954 326284612 /nfs/dbraw/zinc/28/46/12/326284612.db2.gz VJYFKRBIJOVSBL-TZMCWYRMSA-N 0 3 357.292 2.432 10 0 FEAEHN Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](C)c2nnc3n2CCCC3)o1 ZINC000121432488 326338306 /nfs/dbraw/zinc/33/83/06/326338306.db2.gz PFWAAJUYIKCEMG-OAHLLOKOSA-N 0 3 374.489 2.350 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000121854748 326371874 /nfs/dbraw/zinc/37/18/74/326371874.db2.gz JVBAHLDMTRJXIZ-QGZVFWFLSA-N 0 3 374.485 2.066 10 0 FEAEHN O=C(N[C@H]1CCCC[C@H]1CO)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000121911065 326375435 /nfs/dbraw/zinc/37/54/35/326375435.db2.gz XKDJOBSEZOVIQG-PMACEKPBSA-N 0 3 360.498 2.172 10 0 FEAEHN CN(C)C(=O)COc1ccccc1CN1CCC(Cn2cccn2)CC1 ZINC000122095582 326383834 /nfs/dbraw/zinc/38/38/34/326383834.db2.gz XCBVMXMDVSKTDM-UHFFFAOYSA-N 0 3 356.470 2.262 10 0 FEAEHN O=C(Nc1cccc(CN2CCCCC2)c1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000130632860 326560415 /nfs/dbraw/zinc/56/04/15/326560415.db2.gz JBWJTWFNGKDPQP-PKOBYXMFSA-N 0 3 373.497 2.278 10 0 FEAEHN COc1ccc([C@@H](C)NC(=O)C2(N)CCOCC2)cc1Br ZINC000132138588 326587807 /nfs/dbraw/zinc/58/78/07/326587807.db2.gz JFINCYWNRASNFY-SNVBAGLBSA-N 0 3 357.248 2.143 10 0 FEAEHN CN(C)C[C@@H](NC(=O)Nc1ccnc(C(=O)N(C)C)c1)c1ccccc1 ZINC000152044209 326697655 /nfs/dbraw/zinc/69/76/55/326697655.db2.gz ZRDXJFLMOKPNFS-QGZVFWFLSA-N 0 3 355.442 2.208 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CCC(=O)Nc1nnc(C(C)C)s1 ZINC000155754982 326803214 /nfs/dbraw/zinc/80/32/14/326803214.db2.gz IIXHMDPKWIVJKX-CYBMUJFWSA-N 0 3 369.535 2.473 10 0 FEAEHN O=C1CCCN1C[C@H](O)CN1CCC(Oc2ccccc2Cl)CC1 ZINC000157338209 326862492 /nfs/dbraw/zinc/86/24/92/326862492.db2.gz OSVVFYRJFCMWDI-CQSZACIVSA-N 0 3 352.862 2.167 10 0 FEAEHN CC(=O)c1c(C)[nH]c(C(=O)CN(C)CC2CCN(C[C@H](C)O)CC2)c1C ZINC000170941950 327108866 /nfs/dbraw/zinc/10/88/66/327108866.db2.gz RWEGCFFPBYNOGA-ZDUSSCGKSA-N 0 3 363.502 2.041 10 0 FEAEHN CN(C)CCOc1ccc(CNC(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000171461054 327141127 /nfs/dbraw/zinc/14/11/27/327141127.db2.gz VLCRNPXMADOOQJ-LJQANCHMSA-N 0 3 371.485 2.407 10 0 FEAEHN Cc1cccc(NC[C@@H]2CCN(Cc3nn4c(nc(C)cc4=O)s3)C2)n1 ZINC000171651165 327151802 /nfs/dbraw/zinc/15/18/02/327151802.db2.gz BWCYQDFJAXXCDT-AWEZNQCLSA-N 0 3 370.482 2.097 10 0 FEAEHN CCN(CC)C(=O)COc1cccc(NC(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000171888400 327167658 /nfs/dbraw/zinc/16/76/58/327167658.db2.gz HYWLDIYLQOLOFE-QGZVFWFLSA-N 0 3 374.485 2.246 10 0 FEAEHN Cc1cc(=O)oc2cc(OCCN3CCC[C@@H](n4cncn4)C3)ccc12 ZINC000172655122 327213628 /nfs/dbraw/zinc/21/36/28/327213628.db2.gz VRMJZWZPTFVOJW-OAHLLOKOSA-N 0 3 354.410 2.409 10 0 FEAEHN Cc1ccccc1CN1CCCN(C(=O)CN2[C@@H](C)COC[C@@H]2C)CC1 ZINC000172667652 327214077 /nfs/dbraw/zinc/21/40/77/327214077.db2.gz VINUUUJMDURIMN-OALUTQOASA-N 0 3 359.514 2.139 10 0 FEAEHN C[C@@H](NC(=O)NC[C@H](O)CN1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000173454643 327258421 /nfs/dbraw/zinc/25/84/21/327258421.db2.gz DJEVXGXRMTZTTQ-APWZRJJASA-N 0 3 371.485 2.079 10 0 FEAEHN O=C(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)[C@H](O)c1ccccc1 ZINC000173468107 327259312 /nfs/dbraw/zinc/25/93/12/327259312.db2.gz DKSZTFJRFAZMJK-NHCUHLMSSA-N 0 3 368.477 2.282 10 0 FEAEHN COc1ccc(Br)cc1CC(=O)N1CCN2CCC[C@@H]2C1 ZINC000173574954 327268051 /nfs/dbraw/zinc/26/80/51/327268051.db2.gz ZTYUTSIEZITVGE-CQSZACIVSA-N 0 3 353.260 2.307 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@@H]1CCCN(c3ccc(C)cc3)C1=O)CC2 ZINC000174085579 327305253 /nfs/dbraw/zinc/30/52/53/327305253.db2.gz CPDWEFYGJPBURF-DOTOQJQBSA-N 0 3 353.470 2.249 10 0 FEAEHN COCC[C@@H](C)NC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000174544862 327334119 /nfs/dbraw/zinc/33/41/19/327334119.db2.gz JVGMGZNORGWOKS-VQIMIIECSA-N 0 3 363.502 2.156 10 0 FEAEHN CC(C)CNC(=O)[C@H](C)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000246849330 328650267 /nfs/dbraw/zinc/65/02/67/328650267.db2.gz DWCVAFGQRGAUMQ-HRCADAONSA-N 0 3 353.532 2.260 10 0 FEAEHN C[C@@H]1CN(c2ccc(N[C@@H]3CCC[C@@H]3[C@H]3COCCN3)cn2)C[C@@H](C)O1 ZINC000261900590 328828095 /nfs/dbraw/zinc/82/80/95/328828095.db2.gz HQSYQRNQFCIXPB-QWXYKEQDSA-N 0 3 360.502 2.264 10 0 FEAEHN COc1cc([C@@H](C)NC(=O)C2(N)CCOCC2)ccc1OCC(C)C ZINC000261952440 328831458 /nfs/dbraw/zinc/83/14/58/328831458.db2.gz ZCIAPFFIBYVLIJ-CQSZACIVSA-N 0 3 350.459 2.415 10 0 FEAEHN N[C@H](C(=O)Nc1ccc(OCc2ccccn2)c(F)c1)C1CCOCC1 ZINC000262033075 328836821 /nfs/dbraw/zinc/83/68/21/328836821.db2.gz PLYJODNZDIOUSC-SFHVURJKSA-N 0 3 359.401 2.492 10 0 FEAEHN Cn1ccnc(N2CCC[C@@H](NC3CC(c4ccc(F)cc4)C3)C2)c1=O ZINC000275465576 527413435 /nfs/dbraw/zinc/41/34/35/527413435.db2.gz HKMIYDYGVFMUDP-IIIMJFFVSA-N 0 3 356.445 2.424 10 0 FEAEHN C[C@@H](NC(=O)CN1CCO[C@H](CN(C)C)C1)c1cccc2ccccc21 ZINC000155355135 545516475 /nfs/dbraw/zinc/51/64/75/545516475.db2.gz OVIQDXVBSFENSC-SJLPKXTDSA-N 0 3 355.482 2.279 10 0 FEAEHN COC(=O)[C@@H](C)Oc1ccc(CN2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000156674281 545645845 /nfs/dbraw/zinc/64/58/45/545645845.db2.gz YGOSCDKCZPKDGY-WBVHZDCISA-N 0 3 358.442 2.131 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCCN(C)Cc1ccccc1)CC2 ZINC000157488652 545746402 /nfs/dbraw/zinc/74/64/02/545746402.db2.gz AOQMHRTXRQUJKN-KRWDZBQOSA-N 0 3 370.501 2.148 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000176144141 546413679 /nfs/dbraw/zinc/41/36/79/546413679.db2.gz IIZWJURNABRAIC-GOSISDBHSA-N 0 3 366.550 2.147 10 0 FEAEHN COc1cc(OC)cc(N2CC[C@@H](N3CCC(c4ccn[nH]4)CC3)C2=O)c1 ZINC000176223613 546421021 /nfs/dbraw/zinc/42/10/21/546421021.db2.gz KPJLQOHZWISXAT-LJQANCHMSA-N 0 3 370.453 2.412 10 0 FEAEHN O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1CCCn2ncnc21 ZINC000176351888 546435558 /nfs/dbraw/zinc/43/55/58/546435558.db2.gz XAQSZSAXGFDWTE-ZIAGYGMSSA-N 0 3 360.487 2.311 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2N(C)C)C1 ZINC000176750718 546483370 /nfs/dbraw/zinc/48/33/70/546483370.db2.gz QEWZWTQFQFFKJU-DOMZBBRYSA-N 0 3 366.893 2.189 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000176902800 546505408 /nfs/dbraw/zinc/50/54/08/546505408.db2.gz VPBSDTHZDMDPMK-KRWDZBQOSA-N 0 3 371.485 2.498 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000176986825 546519920 /nfs/dbraw/zinc/51/99/20/546519920.db2.gz BNJBMLYKYZBHQJ-MSOLQXFVSA-N 0 3 359.470 2.360 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cnn(Cc2ccc(OC)cc2)c1 ZINC000177023101 546525044 /nfs/dbraw/zinc/52/50/44/546525044.db2.gz KOSAXYLOFMKNIZ-GOSISDBHSA-N 0 3 356.470 2.496 10 0 FEAEHN Cc1nc(C[C@H]2CCCN(CCC(=O)Nc3cc(N)ccc3F)C2)no1 ZINC000177035016 546528075 /nfs/dbraw/zinc/52/80/75/546528075.db2.gz RTBMEPMNDOYLNV-CYBMUJFWSA-N 0 3 361.421 2.383 10 0 FEAEHN O=C(Nc1cccc(CN2CCCCC2)c1)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000177177809 546561743 /nfs/dbraw/zinc/56/17/43/546561743.db2.gz CZMFAMPZYDRLRD-MSOLQXFVSA-N 0 3 359.470 2.031 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCN(c3cc(F)ccc3F)CC2)C1 ZINC000177437411 546617738 /nfs/dbraw/zinc/61/77/38/546617738.db2.gz HVYFSHMTKVNBGB-HNNXBMFYSA-N 0 3 352.429 2.281 10 0 FEAEHN Cc1c(C(=O)N(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)cnn1C ZINC000177462980 546624171 /nfs/dbraw/zinc/62/41/71/546624171.db2.gz MXCGLTHBOLHNDP-HXUWFJFHSA-N 0 3 370.497 2.246 10 0 FEAEHN O=C(Nc1ccc(-c2nccs2)cc1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177698208 546670505 /nfs/dbraw/zinc/67/05/05/546670505.db2.gz QTPJLSHBJAYINX-HNNXBMFYSA-N 0 3 356.451 2.055 10 0 FEAEHN O=C(CN1CCN2CCC[C@@H]2C1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000178621861 546821637 /nfs/dbraw/zinc/82/16/37/546821637.db2.gz YLBDCYZGYKSUHC-GFCCVEGCSA-N 0 3 367.375 2.300 10 0 FEAEHN CC[C@@H](c1ccncc1)N(C)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000179705738 547001680 /nfs/dbraw/zinc/00/16/80/547001680.db2.gz LJVXSDYGTCMGJI-YJBOKZPZSA-N 0 3 353.422 2.122 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000180011863 547038316 /nfs/dbraw/zinc/03/83/16/547038316.db2.gz OGDWOTQCTMMPAP-HUUCEWRRSA-N 0 3 361.269 2.206 10 0 FEAEHN Cc1cc(NC(=O)N2CCO[C@H](CN(C)C)C2)nn1-c1ccc(C)cc1 ZINC000180098252 547051378 /nfs/dbraw/zinc/05/13/78/547051378.db2.gz OIRPYZRTDGILDU-QGZVFWFLSA-N 0 3 357.458 2.283 10 0 FEAEHN CCC[C@@H]1C[C@H](C(=O)N(C)C2CCN(CCn3cccn3)CC2)CCO1 ZINC000180159539 547060573 /nfs/dbraw/zinc/06/05/73/547060573.db2.gz LUAOMNMMASBTMZ-IEBWSBKVSA-N 0 3 362.518 2.401 10 0 FEAEHN CC(C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)Cc1ccc(CO)cc1 ZINC000180161462 547060907 /nfs/dbraw/zinc/06/09/07/547060907.db2.gz NAZBJSMDPQIYKB-LSDHHAIUSA-N 0 3 361.463 2.360 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2nnc(/C=C/c3ccco3)s2)CCO1 ZINC000181286431 547286363 /nfs/dbraw/zinc/28/63/63/547286363.db2.gz SASDTSUTCXXAAA-GFUIURDCSA-N 0 3 363.443 2.096 10 0 FEAEHN COC(=O)c1ccccc1OCCN1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000182126873 547441877 /nfs/dbraw/zinc/44/18/77/547441877.db2.gz BNQCSCKYVONFGZ-HNNXBMFYSA-N 0 3 359.426 2.498 10 0 FEAEHN CC(C)n1nnnc1-c1ccc(NC(=O)N2CCN3CCC[C@H]3C2)cc1F ZINC000182410800 547488824 /nfs/dbraw/zinc/48/88/24/547488824.db2.gz PHTSNWVHHHUJKM-AWEZNQCLSA-N 0 3 373.436 2.372 10 0 FEAEHN COCc1nc(CN(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)no1 ZINC000182442689 547494079 /nfs/dbraw/zinc/49/40/79/547494079.db2.gz DXQNRNXBTDAPFS-GOSISDBHSA-N 0 3 374.485 2.093 10 0 FEAEHN C[C@@H](NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)[C@H]1CCCO1 ZINC000183101235 547601899 /nfs/dbraw/zinc/60/18/99/547601899.db2.gz ZIPHDBDPICWTET-CRAIPNDOSA-N 0 3 359.470 2.021 10 0 FEAEHN C[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CCCC1)[C@@H]1CCCO1 ZINC000183180433 547616656 /nfs/dbraw/zinc/61/66/56/547616656.db2.gz LQDZQUFPEDKMSA-KSSFIOAISA-N 0 3 359.470 2.455 10 0 FEAEHN CC(=O)N[C@@H]1CCCN(C(=O)CN[C@@H]2c3ccccc3CCC2(C)C)C1 ZINC000183217332 547622013 /nfs/dbraw/zinc/62/20/13/547622013.db2.gz LAZQTGBDNHKSOR-YLJYHZDGSA-N 0 3 357.498 2.417 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000185679847 548018850 /nfs/dbraw/zinc/01/88/50/548018850.db2.gz QZXOBLPMJNIFFA-CEXWTWQISA-N 0 3 361.486 2.053 10 0 FEAEHN CC[C@@H]1Cc2ccccc2CN1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000185801506 548037289 /nfs/dbraw/zinc/03/72/89/548037289.db2.gz WSBQBPNDMDJFAX-MSOLQXFVSA-N 0 3 364.445 2.480 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@H]1CCC[C@@H]1CCO ZINC000189941149 548313621 /nfs/dbraw/zinc/31/36/21/548313621.db2.gz COCISDWKQKRVHG-WBVHZDCISA-N 0 3 350.507 2.021 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000194156917 548443052 /nfs/dbraw/zinc/44/30/52/548443052.db2.gz OUYKGAKTIJNSFY-LJQANCHMSA-N 0 3 372.513 2.212 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Nc2cccc(-c3nnc4n3CCC4)c2)C1 ZINC000194332052 548467406 /nfs/dbraw/zinc/46/74/06/548467406.db2.gz TUHCOHUZGGUALU-INIZCTEOSA-N 0 3 354.458 2.497 10 0 FEAEHN O=C(C1CCN(C2CC2)CC1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000194829878 548537956 /nfs/dbraw/zinc/53/79/56/548537956.db2.gz KRYXJSZAIIOCIT-QAPCUYQASA-N 0 3 350.409 2.474 10 0 FEAEHN CN(C)C[C@H](NC(=O)Nc1ccc(N2CCOCC2)cn1)c1ccccc1 ZINC000194890394 548545534 /nfs/dbraw/zinc/54/55/34/548545534.db2.gz PFTFGXHDEDMSOH-SFHVURJKSA-N 0 3 369.469 2.343 10 0 FEAEHN CCCCOC[C@@H](O)CN1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000195174806 548589919 /nfs/dbraw/zinc/58/99/19/548589919.db2.gz VXDRCFUXWAYHNS-KRWDZBQOSA-N 0 3 352.475 2.268 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(CC(=O)N2CCC(C)CC2)C1 ZINC000195250601 548603685 /nfs/dbraw/zinc/60/36/85/548603685.db2.gz OWZAOOFHJHLVLT-QGZVFWFLSA-N 0 3 364.559 2.464 10 0 FEAEHN COC(=O)[C@H](c1cccnc1)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195274453 548608919 /nfs/dbraw/zinc/60/89/19/548608919.db2.gz FFDOBNFKGVRVJC-MJGOQNOKSA-N 0 3 354.454 2.145 10 0 FEAEHN CC(C)CN(C(=O)CN1CC[C@@H](CN(C)Cc2cccnc2)C1)C1CC1 ZINC000195296701 548615548 /nfs/dbraw/zinc/61/55/48/548615548.db2.gz DQIQZHUJXISYCQ-IBGZPJMESA-N 0 3 358.530 2.482 10 0 FEAEHN CSc1ccc(N2C[C@H](C(=O)N3CCN4CCC[C@@H]4C3)CC2=O)cc1 ZINC000195327897 548624020 /nfs/dbraw/zinc/62/40/20/548624020.db2.gz LTMUVVOOWJEHNN-GDBMZVCRSA-N 0 3 359.495 2.068 10 0 FEAEHN O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7cc(F)ccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46 ZINC000216650759 548678886 /nfs/dbraw/zinc/67/88/86/548678886.db2.gz QBRBNDRLXLEKFR-FVWCLLPLSA-N 0 3 352.409 2.232 10 0 FEAEHN CCC[C@@H](N)C(=O)N[C@H](CC)c1ccccc1OCC(=O)N1CCCC1 ZINC000236998476 548793831 /nfs/dbraw/zinc/79/38/31/548793831.db2.gz ZLIVEVIHGYEDJZ-IAGOWNOFSA-N 0 3 361.486 2.383 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1 ZINC000245431643 548917360 /nfs/dbraw/zinc/91/73/60/548917360.db2.gz NFJCWXHIXRFBSK-RTBURBONSA-N 0 3 357.498 2.429 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000245464434 548927379 /nfs/dbraw/zinc/92/73/79/548927379.db2.gz HVXKFZLLKCPYOQ-ZBFHGGJFSA-N 0 3 362.449 2.057 10 0 FEAEHN CN1CC[C@H](NC(=O)N2CCN3CCC[C@H]3C2)[C@H]1c1ccc(F)c(F)c1 ZINC000245765957 548992619 /nfs/dbraw/zinc/99/26/19/548992619.db2.gz JJGGPZXPBOCRHI-JCGIZDLHSA-N 0 3 364.440 2.200 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)N[C@H](C)c1ccccc1OC)CC2 ZINC000245890108 549011385 /nfs/dbraw/zinc/01/13/85/549011385.db2.gz BLYWYYYMGOCGPA-QLFBSQMISA-N 0 3 371.485 2.019 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2c(F)cc(Cl)cc2F)C1 ZINC000246051023 549042218 /nfs/dbraw/zinc/04/22/18/549042218.db2.gz PQHWNFDDCQCVMZ-TVQRCGJNSA-N 0 3 359.804 2.402 10 0 FEAEHN CC(C)c1ccccc1OC[C@H](O)CN1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246121398 549057563 /nfs/dbraw/zinc/05/75/63/549057563.db2.gz LJVNFAXVWKMBTL-QWFCFKBJSA-N 0 3 362.514 2.202 10 0 FEAEHN C[C@H](C(=O)Nc1cccc(Br)c1)N1CCO[C@@H](CN(C)C)C1 ZINC000246286981 549097138 /nfs/dbraw/zinc/09/71/38/549097138.db2.gz IEPLPNXHIDXRIZ-DOMZBBRYSA-N 0 3 370.291 2.039 10 0 FEAEHN COc1cc(Cl)c(C)cc1NC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000246309412 549102151 /nfs/dbraw/zinc/10/21/51/549102151.db2.gz DTRMDNLMCPUYLK-DOMZBBRYSA-N 0 3 367.877 2.440 10 0 FEAEHN Cc1ccc2cccc(NC(=O)C(=O)N[C@H]3CN(C(C)C)C[C@H]3C)c2n1 ZINC000246460831 549137656 /nfs/dbraw/zinc/13/76/56/549137656.db2.gz PICCZDVEVPIAHV-DYVFJYSZSA-N 0 3 354.454 2.327 10 0 FEAEHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000246584621 549167811 /nfs/dbraw/zinc/16/78/11/549167811.db2.gz UNMWZKCSYRMKFN-XHSDSOJGSA-N 0 3 351.491 2.329 10 0 FEAEHN CN(C[C@@H](O)COCc1cccs1)[C@H]1CCCN(c2cccnn2)C1 ZINC000246593829 549170482 /nfs/dbraw/zinc/17/04/82/549170482.db2.gz SZZBMGOLKCWRFG-JKSUJKDBSA-N 0 3 362.499 2.016 10 0 FEAEHN C[C@@H]1CN(C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1N1CCOCC1 ZINC000246604657 549172834 /nfs/dbraw/zinc/17/28/34/549172834.db2.gz HKAADJFOCWLTGM-UWWQBHOKSA-N 0 3 372.431 2.261 10 0 FEAEHN C[C@@H]1CN(C[C@H](O)COc2ccc3ccccc3c2)C[C@H]1N1CCOCC1 ZINC000246619794 549176946 /nfs/dbraw/zinc/17/69/46/549176946.db2.gz YQYBWSJMOOLLJB-PIPMEXSNSA-N 0 3 370.493 2.232 10 0 FEAEHN CC[C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CCN1C[C@H](C)O ZINC000246793257 549214628 /nfs/dbraw/zinc/21/46/28/549214628.db2.gz JLPYUKYLCROOED-FXAWDEMLSA-N 0 3 359.514 2.200 10 0 FEAEHN CC(C)(C)c1ccc(OC[C@@H](O)CN2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000246921254 549242846 /nfs/dbraw/zinc/24/28/46/549242846.db2.gz IZDIDDOTAVHXNI-MOPGFXCFSA-N 0 3 362.514 2.130 10 0 FEAEHN CN(C)C[C@H]1CN([C@H]2CCCN(c3ccccc3Cl)C2=O)CCO1 ZINC000247098193 549283149 /nfs/dbraw/zinc/28/31/49/549283149.db2.gz XVNCJMIPXIOXOW-YOEHRIQHSA-N 0 3 351.878 2.098 10 0 FEAEHN C(CN1CCO[C@H]2CCCC[C@H]21)OCCN1CCO[C@H]2CCCC[C@H]21 ZINC000247152775 549291555 /nfs/dbraw/zinc/29/15/55/549291555.db2.gz UIPWEEZTJSCMBX-ZRNYENFQSA-N 0 3 352.519 2.290 10 0 FEAEHN CCOc1ccccc1NC(=O)CCN1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000247290790 549312236 /nfs/dbraw/zinc/31/22/36/549312236.db2.gz UDNIZVXYCNBJRM-IRXDYDNUSA-N 0 3 363.502 2.191 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2F)N2CCOCC2)C1 ZINC000247331600 549320636 /nfs/dbraw/zinc/32/06/36/549320636.db2.gz NAAIKEAUUYRQIX-LZQZEXGQSA-N 0 3 363.477 2.044 10 0 FEAEHN CC[C@@H]1CN(Cc2cc(Cl)c3c(c2)OCCO3)CCN1C[C@H](C)O ZINC000247597325 549364879 /nfs/dbraw/zinc/36/48/79/549364879.db2.gz KMCHNXZPYQPQRB-DZGCQCFKSA-N 0 3 354.878 2.388 10 0 FEAEHN O[C@H](CNC[C@H](O)[C@H]1CCc2ccccc2O1)[C@@H]1CCc2ccccc2O1 ZINC000247745132 549376228 /nfs/dbraw/zinc/37/62/28/549376228.db2.gz QSCYKSXNGYFRFZ-MTIDIVMFSA-N 0 3 369.461 2.085 10 0 FEAEHN COC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000247775717 549380060 /nfs/dbraw/zinc/38/00/60/549380060.db2.gz QMPXFVBBBVEUHF-QZTJIDSGSA-N 0 3 373.453 2.055 10 0 FEAEHN CC[C@@H]1Cc2ccccc2CN1C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000248637864 549474521 /nfs/dbraw/zinc/47/45/21/549474521.db2.gz WSBQBPNDMDJFAX-QZTJIDSGSA-N 0 3 364.445 2.480 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000248790201 549502782 /nfs/dbraw/zinc/50/27/82/549502782.db2.gz XIVJHLFWDNQMCD-DJSGYFEHSA-N 0 3 365.271 2.448 10 0 FEAEHN CCO[C@@H]1C[C@@H](N[C@H]2CCCN(CC(F)(F)F)C2=O)C12CCOCC2 ZINC000249065342 549545224 /nfs/dbraw/zinc/54/52/24/549545224.db2.gz ZHPPJCMZUSETNP-BFHYXJOUSA-N 0 3 364.408 2.104 10 0 FEAEHN Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000249138175 549559354 /nfs/dbraw/zinc/55/93/54/549559354.db2.gz FECZKWGBCBDPMT-SJLPKXTDSA-N 0 3 370.497 2.229 10 0 FEAEHN CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c(F)c1 ZINC000249243642 549572238 /nfs/dbraw/zinc/57/22/38/549572238.db2.gz WZFBEQIEGRKXEA-KBPBESRZSA-N 0 3 363.433 2.247 10 0 FEAEHN COC(=O)c1ccc2[nH]cc(C(=O)CN3C[C@@H]4CCCN4C[C@@H]3C)c2c1 ZINC000249390469 549587138 /nfs/dbraw/zinc/58/71/38/549587138.db2.gz QVAHXYPPJKLNHR-ZFWWWQNUSA-N 0 3 355.438 2.306 10 0 FEAEHN CN1CCC[C@H]1CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000249942516 549634960 /nfs/dbraw/zinc/63/49/60/549634960.db2.gz WXDIGIWPCJPBKE-IRXDYDNUSA-N 0 3 371.506 2.300 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000252443741 549665719 /nfs/dbraw/zinc/66/57/19/549665719.db2.gz NWRGJORTKULULO-ZBFHGGJFSA-N 0 3 351.491 2.329 10 0 FEAEHN C[C@H](O)CN1CCN(CCc2cc(Cl)c3c(c2)OCCCO3)C[C@H]1C ZINC000252733877 549677981 /nfs/dbraw/zinc/67/79/81/549677981.db2.gz SWUJHQUTBFYLLJ-CABCVRRESA-N 0 3 368.905 2.431 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)[C@@](C)(N)c2ccc(Br)cc2)C1 ZINC000261635196 549737250 /nfs/dbraw/zinc/73/72/50/549737250.db2.gz CBRUIKPMLHPFOB-ZBFHGGJFSA-N 0 3 354.292 2.224 10 0 FEAEHN C[C@H](NC(=O)[C@@H](N)C1CCOCC1)c1nc2ccccc2n1C(F)F ZINC000261715984 549746865 /nfs/dbraw/zinc/74/68/65/549746865.db2.gz IYMHTXWNCAMBAQ-HZMBPMFUSA-N 0 3 352.385 2.363 10 0 FEAEHN NC1(C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)CCOCC1 ZINC000261747078 549750511 /nfs/dbraw/zinc/75/05/11/549750511.db2.gz DZIJLWZLZQRZAU-UHFFFAOYSA-N 0 3 366.421 2.360 10 0 FEAEHN C[C@H](NC(=O)C1(N)CCOCC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000261746952 549750913 /nfs/dbraw/zinc/75/09/13/549750913.db2.gz DYKIJCMCUOSBPJ-JTQLQIEISA-N 0 3 350.806 2.075 10 0 FEAEHN NC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1C(=O)c1ccccc1 ZINC000262366511 549814817 /nfs/dbraw/zinc/81/48/17/549814817.db2.gz WDHMXAZEVHPYBI-INIZCTEOSA-N 0 3 358.463 2.420 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000262701782 549840736 /nfs/dbraw/zinc/84/07/36/549840736.db2.gz IWLIUNVAMYCBDH-RWMBFGLXSA-N 0 3 351.413 2.009 10 0 FEAEHN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000262706823 549841373 /nfs/dbraw/zinc/84/13/73/549841373.db2.gz JUANOBLYFIGAGC-UHFFFAOYSA-N 0 3 373.453 2.162 10 0 FEAEHN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000262706823 549841375 /nfs/dbraw/zinc/84/13/75/549841375.db2.gz JUANOBLYFIGAGC-UHFFFAOYSA-N 0 3 373.453 2.162 10 0 FEAEHN CN(CC(C)(C)C)C(=O)c1cccc(-c2nc([C@H]3CNCCN3C)no2)c1 ZINC000263186032 549884030 /nfs/dbraw/zinc/88/40/30/549884030.db2.gz HIIZZHALVOQHOD-MRXNPFEDSA-N 0 3 371.485 2.431 10 0 FEAEHN Cc1cccc(C(=O)N[C@H](c2nc([C@H]3CNCCN3C)no2)C(C)C)c1 ZINC000263217805 549886006 /nfs/dbraw/zinc/88/60/06/549886006.db2.gz LEAZFBIREJRRRG-CVEARBPZSA-N 0 3 357.458 2.081 10 0 FEAEHN Cc1cccc(C(=O)N[C@@H](c2nc([C@H]3CNCCN3C)no2)C(C)C)c1 ZINC000263217808 549886051 /nfs/dbraw/zinc/88/60/51/549886051.db2.gz LEAZFBIREJRRRG-HZPDHXFCSA-N 0 3 357.458 2.081 10 0 FEAEHN COc1c(Br)c(C)sc1-c1nc([C@@H]2CNCCN2C)no1 ZINC000263235241 549888106 /nfs/dbraw/zinc/88/81/06/549888106.db2.gz NVXRQNYOUVIYRV-QMMMGPOBSA-N 0 3 373.276 2.454 10 0 FEAEHN CCOC(=O)[C@@H]1CC[C@@H](NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C[C@H]1C ZINC000263510768 549906212 /nfs/dbraw/zinc/90/62/12/549906212.db2.gz NICMEZMPBGIFFF-WZJUOUGFSA-N 0 3 366.502 2.272 10 0 FEAEHN CCOC(=O)[C@@H]1CC[C@@H](NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)C[C@H]1C ZINC000263510768 549906215 /nfs/dbraw/zinc/90/62/15/549906215.db2.gz NICMEZMPBGIFFF-WZJUOUGFSA-N 0 3 366.502 2.272 10 0 FEAEHN CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC(N(CC(=O)[O-])CC3CC3)C2)C[C@H]1C ZINC000263510768 549906218 /nfs/dbraw/zinc/90/62/18/549906218.db2.gz NICMEZMPBGIFFF-WZJUOUGFSA-N 0 3 366.502 2.272 10 0 FEAEHN Cn1nccc1[C@H]1[C@H](CNCc2nc3ccccc3n2C)CCCN1C ZINC000284405671 551542496 /nfs/dbraw/zinc/54/24/96/551542496.db2.gz BNOXFOTTXFCUJO-MGPUTAFESA-N 0 3 352.486 2.480 10 0 FEAEHN CN(Cc1cccc(C(N)=O)c1)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000284970408 551679746 /nfs/dbraw/zinc/67/97/46/551679746.db2.gz WXOZPVQZKQZHDX-PKOBYXMFSA-N 0 3 355.486 2.034 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)C1 ZINC000109395738 670841431 /nfs/dbraw/zinc/84/14/31/670841431.db2.gz ASBRUAQLDFNYMU-LSDHHAIUSA-N 0 3 354.495 2.122 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000150711373 672151899 /nfs/dbraw/zinc/15/18/99/672151899.db2.gz NOGJVMVJYYXDQR-IAQYHMDHSA-N 0 3 373.906 2.436 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CNC[C@H](O)CC(C)(C)C ZINC000172269165 672340579 /nfs/dbraw/zinc/34/05/79/672340579.db2.gz BRJGHUAVDNZYEQ-OAHLLOKOSA-N 0 3 352.523 2.267 10 0 FEAEHN Cn1ncc(Br)c1CNC[C@@H]1CCCO[C@H]1c1cc[nH]n1 ZINC000643819245 677232889 /nfs/dbraw/zinc/23/28/89/677232889.db2.gz FFFUUXWNAFFGRE-IINYFYTJSA-N 0 3 354.252 2.163 10 0 FEAEHN CCn1c2ccccc2n(CC(=O)N[C@@H](CN(C)C)c2ccccc2)c1=O ZINC000027150647 539801572 /nfs/dbraw/zinc/80/15/72/539801572.db2.gz QRUFKUUJXAZAOP-KRWDZBQOSA-N 0 3 366.465 2.242 10 0 FEAEHN COCCN(C)CCCNC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000073721207 541991176 /nfs/dbraw/zinc/99/11/76/541991176.db2.gz LYNYXKXIAVQTIA-MRXNPFEDSA-N 0 3 359.474 2.201 10 0 FEAEHN C[C@@H](N[C@@H](C)C(=O)NC(=O)NC1CC1)c1cccc(Br)c1 ZINC000075671863 542196892 /nfs/dbraw/zinc/19/68/92/542196892.db2.gz CJHNJCLKKOTQPN-ZJUUUORDSA-N 0 3 354.248 2.476 10 0 FEAEHN CC(=O)N[C@H]1CCCN(CCC(=O)Nc2ccccc2Br)C1 ZINC000077170117 542350897 /nfs/dbraw/zinc/35/08/97/542350897.db2.gz ZEAXWTHNQGDKNV-ZDUSSCGKSA-N 0 3 368.275 2.378 10 0 FEAEHN COc1ccc(NC(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)c(C)c1 ZINC000224312008 132282868 /nfs/dbraw/zinc/28/28/68/132282868.db2.gz ZWGSFONUUOJACW-UHFFFAOYSA-N 0 3 370.457 2.214 10 0 FEAEHN COC(=O)CCn1nc(C)c(CN2CC[C@@H](CNc3ccccn3)C2)c1C ZINC000092812649 542888012 /nfs/dbraw/zinc/88/80/12/542888012.db2.gz NOUWUIJLAGTWAO-KRWDZBQOSA-N 0 3 371.485 2.392 10 0 FEAEHN CCCC(=O)NC[C@H]1CCCN(C(=O)N[C@H](CC(C)C)CN(C)C)C1 ZINC000101983454 543053287 /nfs/dbraw/zinc/05/32/87/543053287.db2.gz XYQTWRIUAJIDRM-IAGOWNOFSA-N 0 3 354.539 2.301 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000104327472 543128916 /nfs/dbraw/zinc/12/89/16/543128916.db2.gz WXJJBJRKVRYJSG-GFCCVEGCSA-N 0 3 350.854 2.022 10 0 FEAEHN C[C@H]1CN(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CCS1 ZINC000105283782 543169432 /nfs/dbraw/zinc/16/94/32/543169432.db2.gz KVVUZZIPQQITDQ-HNNXBMFYSA-N 0 3 363.527 2.290 10 0 FEAEHN O=C(CN1CCC[C@@H](Cn2cncn2)C1)N(Cc1ccccc1)C1CC1 ZINC000106171690 543211879 /nfs/dbraw/zinc/21/18/79/543211879.db2.gz HJSRQNGOEXXLSE-GOSISDBHSA-N 0 3 353.470 2.181 10 0 FEAEHN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000108330367 543286244 /nfs/dbraw/zinc/28/62/44/543286244.db2.gz STEBIEVMPKDHDP-SUMWQHHRSA-N 0 3 367.440 2.177 10 0 FEAEHN CN(C(=O)c1cc(C(C)(C)C)n[nH]1)C1CCN(CCn2cccn2)CC1 ZINC000109292020 543320643 /nfs/dbraw/zinc/32/06/43/543320643.db2.gz SZJXMPMNHQZCIC-UHFFFAOYSA-N 0 3 358.490 2.140 10 0 FEAEHN CCC(CC)[C@@H](O)CNCc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000111404575 543400315 /nfs/dbraw/zinc/40/03/15/543400315.db2.gz NAKTTWWIKMKLEG-KRWDZBQOSA-N 0 3 352.523 2.267 10 0 FEAEHN O=C(NCc1ccccn1)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000112550043 543451529 /nfs/dbraw/zinc/45/15/29/543451529.db2.gz BDHOJOZCMIPGEW-FQEVSTJZSA-N 0 3 368.481 2.326 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@H](C)C(=O)NCCc1ccc(F)cc1)CC2 ZINC000112552055 543451789 /nfs/dbraw/zinc/45/17/89/543451789.db2.gz YRLGHNUVPYNWCK-RHSMWYFYSA-N 0 3 373.476 2.192 10 0 FEAEHN Cc1ccccc1CNC(=O)[C@H](C)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000112551362 543452094 /nfs/dbraw/zinc/45/20/94/543452094.db2.gz GUAVLGOFYKODRM-RDJZCZTQSA-N 0 3 355.486 2.319 10 0 FEAEHN COc1cccc(CNC(=O)[C@H](C)N[C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000112552025 543452137 /nfs/dbraw/zinc/45/21/37/543452137.db2.gz KTUQHKGZRBJVIB-GOEBONIOSA-N 0 3 371.485 2.019 10 0 FEAEHN CN(c1ccc(NC(=O)CNCC(F)(F)F)cc1)C1CCN(C)CC1 ZINC000112874744 543465759 /nfs/dbraw/zinc/46/57/59/543465759.db2.gz KOEWREHUSKIWRE-UHFFFAOYSA-N 0 3 358.408 2.307 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000113224503 543477703 /nfs/dbraw/zinc/47/77/03/543477703.db2.gz BCWJXIHTJHELKH-UMVBOHGHSA-N 0 3 363.408 2.013 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)NCc3ccccc3F)CC2)nc1 ZINC000114511650 543521933 /nfs/dbraw/zinc/52/19/33/543521933.db2.gz VVVAPIRQEZJSQM-UHFFFAOYSA-N 0 3 371.460 2.314 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccccc1OC(F)F ZINC000121829960 543700373 /nfs/dbraw/zinc/70/03/73/543700373.db2.gz AUZSUNQSXNXPAD-GFCCVEGCSA-N 0 3 357.401 2.319 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@@H](C)CS(=O)(=O)c1ccccc1)CC2 ZINC000122891592 543729913 /nfs/dbraw/zinc/72/99/13/543729913.db2.gz ZXBBPWNAHPRLMQ-LSDHHAIUSA-N 0 3 362.499 2.168 10 0 FEAEHN O=C(/C=C/c1ccnc(Cl)c1)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000125540208 543887481 /nfs/dbraw/zinc/88/74/81/543887481.db2.gz GIECYGNQTWUUOW-QWNKOJSDSA-N 0 3 371.868 2.284 10 0 FEAEHN CN(C)C[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccccc1 ZINC000128581262 544061155 /nfs/dbraw/zinc/06/11/55/544061155.db2.gz VXCNHHKSXGRZOL-IBGZPJMESA-N 0 3 359.514 2.441 10 0 FEAEHN C[C@@H](CNC(=O)N[C@@H]1CCCc2cc(F)ccc21)CN1CCN(C)CC1 ZINC000129076641 544089310 /nfs/dbraw/zinc/08/93/10/544089310.db2.gz MFJXFCOSPFLYAY-HNAYVOBHSA-N 0 3 362.493 2.386 10 0 FEAEHN C[C@H](NC(=O)[C@H](C)N1CCO[C@@H](CN(C)C)C1)c1ccc2c(c1)CCCC2 ZINC000247497117 549344942 /nfs/dbraw/zinc/34/49/42/549344942.db2.gz MUFGHZADDPGWHU-FIKGOQFSSA-N 0 3 373.541 2.394 10 0 FEAEHN CCC[C@@H](C(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1)N(C)C ZINC000130987638 544172989 /nfs/dbraw/zinc/17/29/89/544172989.db2.gz DUEXVVGADBOZCQ-HOTGVXAUSA-N 0 3 353.532 2.276 10 0 FEAEHN Cn1cnnc1CCNCc1cc(Br)c(Br)o1 ZINC000104067453 222350843 /nfs/dbraw/zinc/35/08/43/222350843.db2.gz NXZRZVLODIGDMM-UHFFFAOYSA-N 0 3 364.041 2.265 10 0 FEAEHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)C1 ZINC000132346984 544227868 /nfs/dbraw/zinc/22/78/68/544227868.db2.gz XGQVGSJSIKYBDW-WNRNVDISSA-N 0 3 366.550 2.442 10 0 FEAEHN CCC[C@@H](C(=O)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)N(C)C ZINC000135446542 544347390 /nfs/dbraw/zinc/34/73/90/544347390.db2.gz OHZZUZAAELEAOR-KSSFIOAISA-N 0 3 361.486 2.252 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(OC(F)F)cc2)[C@@H](C)C1 ZINC000150788189 544471613 /nfs/dbraw/zinc/47/16/13/544471613.db2.gz UOAXLNDXRIITGN-FZMZJTMJSA-N 0 3 355.385 2.071 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cccc(OC(F)F)c2)C1 ZINC000150791052 544472944 /nfs/dbraw/zinc/47/29/44/544472944.db2.gz GOFSPCNBJPQAIH-RISCZKNCSA-N 0 3 355.385 2.071 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000247532946 549351468 /nfs/dbraw/zinc/35/14/68/549351468.db2.gz XRMPDLMEEFKRMX-KFWWJZLASA-N 0 3 361.873 2.388 10 0 FEAEHN CC[C@H]1CN(CCC(=O)Nc2ccccc2Cl)CCN1C[C@H](C)O ZINC000247543288 549353593 /nfs/dbraw/zinc/35/35/93/549353593.db2.gz DENKGMFTGQBNSY-GJZGRUSLSA-N 0 3 353.894 2.446 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(OC)c(NC(C)=O)c1)CC2 ZINC000180623897 327694069 /nfs/dbraw/zinc/69/40/69/327694069.db2.gz ZEVXJXNDIBWHHS-SWLSCSKDSA-N 0 3 357.458 2.473 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000182574293 327780805 /nfs/dbraw/zinc/78/08/05/327780805.db2.gz XZJRWTBGRJVDHX-NJZAAPMLSA-N 0 3 362.392 2.226 10 0 FEAEHN O=C(NC[C@@H](O)CN1CCCCC1)N[C@@H]1CCCOc2c(F)cccc21 ZINC000183826325 327837859 /nfs/dbraw/zinc/83/78/59/327837859.db2.gz BFJXNVHMMVLHDS-RHSMWYFYSA-N 0 3 365.449 2.185 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000185679827 327927432 /nfs/dbraw/zinc/92/74/32/327927432.db2.gz QZXOBLPMJNIFFA-QYZOEREBSA-N 0 3 361.486 2.053 10 0 FEAEHN CCO[C@H]1C[C@H](NC(=O)N2CCN(C3CCCC3)CC2)C12CCOCC2 ZINC000185695238 327928216 /nfs/dbraw/zinc/92/82/16/327928216.db2.gz KVXFNVQCVYJQDP-ROUUACIJSA-N 0 3 365.518 2.230 10 0 FEAEHN C[C@@H]1OCCC[C@@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000188529840 328093161 /nfs/dbraw/zinc/09/31/61/328093161.db2.gz QMYKQXYSDHOEDQ-ICSRJNTNSA-N 0 3 359.514 2.126 10 0 FEAEHN CN(C)Cc1cccc(NC(=O)C(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000190145203 328190801 /nfs/dbraw/zinc/19/08/01/328190801.db2.gz VCVXAZMGDHECDC-QGZVFWFLSA-N 0 3 355.442 2.164 10 0 FEAEHN Cc1cc(C)nc(-n2nccc2NC(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)n1 ZINC000190362341 328203044 /nfs/dbraw/zinc/20/30/44/328203044.db2.gz OBADENKBALFZHV-WFASDCNBSA-N 0 3 357.462 2.129 10 0 FEAEHN CC[C@H](C)NC(=O)[C@@H](C)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190516980 328213113 /nfs/dbraw/zinc/21/31/13/328213113.db2.gz ZXSFAQDDVRMPFK-BBWFWOEESA-N 0 3 369.550 2.418 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2cccc(C(N)=O)c2)C1 ZINC000190492623 328211075 /nfs/dbraw/zinc/21/10/75/328211075.db2.gz QIEKADHYTKHLPQ-MRXNPFEDSA-N 0 3 367.453 2.166 10 0 FEAEHN COc1cccc(CNC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)n1 ZINC000190703678 328226100 /nfs/dbraw/zinc/22/61/00/328226100.db2.gz LCFJOUSOGKPAAJ-KRWDZBQOSA-N 0 3 369.469 2.149 10 0 FEAEHN CNC(=O)[C@H](NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1)C(C)C ZINC000192665193 328332147 /nfs/dbraw/zinc/33/21/47/328332147.db2.gz DOQBETISUXNRCV-CRAIPNDOSA-N 0 3 360.502 2.282 10 0 FEAEHN Cc1cc(S(=O)(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)c(C)o1 ZINC000192940168 328347985 /nfs/dbraw/zinc/34/79/85/328347985.db2.gz IJXGUOPSWRXSFH-QGZVFWFLSA-N 0 3 363.483 2.434 10 0 FEAEHN Cc1c(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)cnn1C1CCCC1 ZINC000193040835 328353607 /nfs/dbraw/zinc/35/36/07/328353607.db2.gz FOUHBNWSLSNBET-OAHLLOKOSA-N 0 3 363.506 2.338 10 0 FEAEHN COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CCC[NH2+][C@H]1C ZINC000193460592 328376710 /nfs/dbraw/zinc/37/67/10/328376710.db2.gz DPAOMVGEVJHXMX-JQWIXIFHSA-N 0 3 368.480 2.107 10 0 FEAEHN CNC(=O)c1cccc(CNC(=O)N[C@H](CN(C)C)c2ccccc2)c1 ZINC000048216791 324658112 /nfs/dbraw/zinc/65/81/12/324658112.db2.gz OIQACOXJJSUCQZ-GOSISDBHSA-N 0 3 354.454 2.148 10 0 FEAEHN Cc1nc2n(n1)CCC[C@H]2NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000083749738 325224911 /nfs/dbraw/zinc/22/49/11/325224911.db2.gz KVKQYBDYQOHSRP-QGZVFWFLSA-N 0 3 374.464 2.334 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000089505940 325320213 /nfs/dbraw/zinc/32/02/13/325320213.db2.gz BPSZEIBEDJORRG-ZHALLVOQSA-N 0 3 363.477 2.438 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)NCCNC(=O)CC1CCCCC1 ZINC000101793743 325481477 /nfs/dbraw/zinc/48/14/77/325481477.db2.gz WRPONDCGSVNEOC-KRWDZBQOSA-N 0 3 354.539 2.349 10 0 FEAEHN CNc1cc(N2CCC[C@@H]2CNCc2ccc3c(c2)OCCO3)ncn1 ZINC000107317877 325624256 /nfs/dbraw/zinc/62/42/56/325624256.db2.gz IRWGNEDDQCXPGC-OAHLLOKOSA-N 0 3 355.442 2.048 10 0 FEAEHN CCCC[C@H](N[C@H]1CCc2nc(CC)nn2C1)C(=O)Nc1cc(C)on1 ZINC000112550867 325789811 /nfs/dbraw/zinc/78/98/11/325789811.db2.gz YHPKQCSGDYUERW-KBPBESRZSA-N 0 3 360.462 2.239 10 0 FEAEHN Cc1ccc(CNC(=O)[C@H](C)N[C@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000112551339 325789983 /nfs/dbraw/zinc/78/99/83/325789983.db2.gz NWXMZMUSMPFATB-RDJZCZTQSA-N 0 3 355.486 2.319 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)Nc1cccc3ncccc31)CC2 ZINC000112551045 325790322 /nfs/dbraw/zinc/79/03/22/325790322.db2.gz VYCGVTOHQJRURA-UONOGXRCSA-N 0 3 364.453 2.320 10 0 FEAEHN CCCOc1ccc(C(=O)N2CCO[C@H](CN(C)C)C2)cc1OCC ZINC000116788112 326035202 /nfs/dbraw/zinc/03/52/02/326035202.db2.gz WUSNBUJWQNMBKP-MRXNPFEDSA-N 0 3 350.459 2.277 10 0 FEAEHN CCOc1c(OC)cc(CN2CCN(C[C@@H](C)O)[C@H](CC)C2)cc1OC ZINC000120755276 326285385 /nfs/dbraw/zinc/28/53/85/326285385.db2.gz TUTZRZCSSGWSQC-NVXWUHKLSA-N 0 3 366.502 2.380 10 0 FEAEHN COCc1ccc(CN2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)cc1 ZINC000121039456 326308493 /nfs/dbraw/zinc/30/84/93/326308493.db2.gz RRNROFMSXXXWBN-OAQYLSRUSA-N 0 3 361.530 2.060 10 0 FEAEHN CCC[C@](C)(O)C(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000127561477 326508744 /nfs/dbraw/zinc/50/87/44/326508744.db2.gz DPBVJXSQQSDRER-CTNGQTDRSA-N 0 3 362.514 2.442 10 0 FEAEHN CN(C)c1ccc(C(=O)N(C)C2CCN(CCn3cccn3)CC2)c(F)c1 ZINC000129835710 326547178 /nfs/dbraw/zinc/54/71/78/326547178.db2.gz YWELUUIGFXLRKQ-UHFFFAOYSA-N 0 3 373.476 2.325 10 0 FEAEHN CNc1c(Cl)ncnc1N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000136038657 326649414 /nfs/dbraw/zinc/64/94/14/326649414.db2.gz WRUKDJBMOSYQQQ-STQMWFEESA-N 0 3 353.898 2.497 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)[C@H](c1ccccc1F)N1CCOCC1 ZINC000137104007 326658103 /nfs/dbraw/zinc/65/81/03/326658103.db2.gz TZQQQAIUQHNYLJ-LPHOPBHVSA-N 0 3 365.493 2.292 10 0 FEAEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000157266153 326860492 /nfs/dbraw/zinc/86/04/92/326860492.db2.gz VCANUHBVGQUAJK-SFHVURJKSA-N 0 3 355.486 2.472 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)Nc2ccccc2SCC(N)=O)[C@@H](C)C1 ZINC000162744267 327033597 /nfs/dbraw/zinc/03/35/97/327033597.db2.gz WZHSGTLFAWOMPS-JSGCOSHPSA-N 0 3 350.488 2.114 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CNC[C@@H](O)C1CCCCC1 ZINC000170791038 327099297 /nfs/dbraw/zinc/09/92/97/327099297.db2.gz WXTUSIBLSHOXGI-GOSISDBHSA-N 0 3 364.534 2.411 10 0 FEAEHN CC1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](N(C)C)C3)cc2)CC1 ZINC000170844410 327102109 /nfs/dbraw/zinc/10/21/09/327102109.db2.gz SYRMKTNSNGMZSU-GOSISDBHSA-N 0 3 358.486 2.024 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000170844085 327102211 /nfs/dbraw/zinc/10/22/11/327102211.db2.gz NEODKKTUCHCDMJ-SNVBAGLBSA-N 0 3 361.389 2.400 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC000170854812 327102658 /nfs/dbraw/zinc/10/26/58/327102658.db2.gz SLXDLKXIWAFPFK-IRXDYDNUSA-N 0 3 361.486 2.285 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)C1 ZINC000170857268 327102944 /nfs/dbraw/zinc/10/29/44/327102944.db2.gz DSEMAIHZAXJGME-RBUKOAKNSA-N 0 3 351.450 2.320 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)C1 ZINC000170862772 327103284 /nfs/dbraw/zinc/10/32/84/327103284.db2.gz ALTJHRQZKIKIRH-SJORKVTESA-N 0 3 371.506 2.252 10 0 FEAEHN O=C(CN1CCN2CCC[C@@H]2C1)NCc1ccc(F)cc1C(F)(F)F ZINC000170958846 327110190 /nfs/dbraw/zinc/11/01/90/327110190.db2.gz BGFHBOXQSORXSA-CQSZACIVSA-N 0 3 359.367 2.241 10 0 FEAEHN C[C@@H]1CN(Cc2ccccc2NC(=O)N2CC[C@H](N(C)C)C2)C[C@@H](C)O1 ZINC000171078340 327116074 /nfs/dbraw/zinc/11/60/74/327116074.db2.gz QHDURURSHMYRPN-NUJGCVRESA-N 0 3 360.502 2.464 10 0 FEAEHN O=C1c2ccccc2C(=O)N1C[C@H](O)CN1CCCc2ccccc2C1 ZINC000171593402 327146949 /nfs/dbraw/zinc/14/69/49/327146949.db2.gz CVVYTOPNLWFJMM-QGZVFWFLSA-N 0 3 350.418 2.092 10 0 FEAEHN C[C@@H](c1cccc(O)c1)N(C)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000171939338 327171642 /nfs/dbraw/zinc/17/16/42/327171642.db2.gz IRVAUAXLQQRYMC-BBRMVZONSA-N 0 3 354.406 2.042 10 0 FEAEHN CN(C(=O)NCCc1ccc(F)cc1)C1CCN(CCn2cccn2)CC1 ZINC000171969887 327173870 /nfs/dbraw/zinc/17/38/70/327173870.db2.gz NKTOYGXKPSSKCH-UHFFFAOYSA-N 0 3 373.476 2.371 10 0 FEAEHN Cc1ccccc1CN1CCCN(C(=O)CN2[C@H](C)COC[C@@H]2C)CC1 ZINC000172667650 327214018 /nfs/dbraw/zinc/21/40/18/327214018.db2.gz VINUUUJMDURIMN-KDURUIRLSA-N 0 3 359.514 2.139 10 0 FEAEHN CO[C@H](CNC(=O)NC[C@@H](O)CN1CCCCC1)c1cccc(Cl)c1 ZINC000173436630 327257049 /nfs/dbraw/zinc/25/70/49/327257049.db2.gz JWORWIJKSDBMTI-IAGOWNOFSA-N 0 3 369.893 2.174 10 0 FEAEHN CC(C)c1nn(C)c2sc(C(=O)N3CCO[C@H](CN(C)C)C3)cc12 ZINC000173521596 327263352 /nfs/dbraw/zinc/26/33/52/327263352.db2.gz GMCTVAONORKDTR-GFCCVEGCSA-N 0 3 350.488 2.161 10 0 FEAEHN C[C@@H]1CC[C@H](CCC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)O1 ZINC000173577270 327268190 /nfs/dbraw/zinc/26/81/90/327268190.db2.gz OWDTWJVIDCFQQX-SJLPKXTDSA-N 0 3 360.502 2.140 10 0 FEAEHN CCN1CCN(c2ccc(C(=O)N3CC[C@H](c4cnn(C)c4)C3)cc2)CC1 ZINC000173749752 327280997 /nfs/dbraw/zinc/28/09/97/327280997.db2.gz HOIHTYVVMBVSCD-SFHVURJKSA-N 0 3 367.497 2.192 10 0 FEAEHN O=C(CN1CCN2CCC[C@@H]2C1)Nc1c(F)cc(F)cc1Br ZINC000174138070 327308296 /nfs/dbraw/zinc/30/82/96/327308296.db2.gz IMYAMVYBNGMBMF-LLVKDONJSA-N 0 3 374.229 2.446 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CNC[C@@]1(C)CCCC[C@H]1O ZINC000174938903 327362607 /nfs/dbraw/zinc/36/26/07/327362607.db2.gz RXIJBAAKTXKRKQ-YLJYHZDGSA-N 0 3 364.534 2.411 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000175864303 327418580 /nfs/dbraw/zinc/41/85/80/327418580.db2.gz NBJYSPUHJHHIJG-KGLIPLIRSA-N 0 3 352.445 2.241 10 0 FEAEHN C[C@@H](NC(N)=O)C(=O)NCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000176664710 327468892 /nfs/dbraw/zinc/46/88/92/327468892.db2.gz CKKAPTZGEMHGNE-QGZVFWFLSA-N 0 3 368.481 2.252 10 0 FEAEHN CN(C)CCN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000176804560 327476924 /nfs/dbraw/zinc/47/69/24/327476924.db2.gz RSYSSGPWHJIAMZ-INIZCTEOSA-N 0 3 359.495 2.109 10 0 FEAEHN NC1(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)CCOCC1 ZINC000261649366 328808505 /nfs/dbraw/zinc/80/85/05/328808505.db2.gz AKABSKYGKAUDSU-UHFFFAOYSA-N 0 3 370.405 2.441 10 0 FEAEHN NC1(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CCOCC1 ZINC000261957174 328831809 /nfs/dbraw/zinc/83/18/09/328831809.db2.gz ZUBLVGGZAYMNJF-CQSZACIVSA-N 0 3 359.253 2.401 10 0 FEAEHN COCCNCCNC(=O)[C@@H](Oc1ccccc1Br)C(C)C ZINC000262072982 328840001 /nfs/dbraw/zinc/84/00/01/328840001.db2.gz CSJDERWSGUAUBY-HNNXBMFYSA-N 0 3 373.291 2.205 10 0 FEAEHN Cc1csc(-c2cccc(S(=O)(=O)N[C@@H]3CNCC[C@@H]3C)c2)n1 ZINC000262301597 328857760 /nfs/dbraw/zinc/85/77/60/328857760.db2.gz NZPOEAKXWNWOMX-XHDPSFHLSA-N 0 3 351.497 2.395 10 0 FEAEHN CCCNc1ccccc1C(=O)N1CCC[C@H](Cn2cc(CN)nn2)C1 ZINC000020600655 520176052 /nfs/dbraw/zinc/17/60/52/520176052.db2.gz JJXZOYABXQGKDS-HNNXBMFYSA-N 0 3 356.474 2.111 10 0 FEAEHN Cc1c(CNC[C@H]2COc3ccccc3O2)c2ccccc2n1CC(N)=O ZINC000055307437 525725750 /nfs/dbraw/zinc/72/57/50/525725750.db2.gz HUFOYSMWFPWWBX-HNNXBMFYSA-N 0 3 365.433 2.365 10 0 FEAEHN C[C@H](NC(=O)CN1CCO[C@H](CN(C)C)C1)c1ccc2ccccc2c1 ZINC000155298992 545507970 /nfs/dbraw/zinc/50/79/70/545507970.db2.gz NUTPFICWESKTRY-OXJNMPFZSA-N 0 3 355.482 2.279 10 0 FEAEHN CCc1ccc([C@H](CNC(=O)N2CCC[C@@H](C(=O)OC)C2)N(C)C)cc1 ZINC000155322514 545510694 /nfs/dbraw/zinc/51/06/94/545510694.db2.gz ITWAKIOIOAPJFN-MSOLQXFVSA-N 0 3 361.486 2.446 10 0 FEAEHN CCn1cnnc1C1CCN(CCOc2cccc(C(=O)OC)c2)CC1 ZINC000155396061 545521678 /nfs/dbraw/zinc/52/16/78/545521678.db2.gz HZMAGFJMHKMVFG-UHFFFAOYSA-N 0 3 358.442 2.343 10 0 FEAEHN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(NC(=O)NC3CCN(C)CC3)cc2)O1 ZINC000155627324 545551322 /nfs/dbraw/zinc/55/13/22/545551322.db2.gz LZUAZNGKJVHPBM-DYVFJYSZSA-N 0 3 360.458 2.408 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H](CN(C)C)c1ccccc1)CC2 ZINC000155637321 545552110 /nfs/dbraw/zinc/55/21/10/545552110.db2.gz HNGUMDKPBHIPMH-IAGOWNOFSA-N 0 3 370.501 2.318 10 0 FEAEHN CCOC(=O)[C@@H]1CCCN(C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000155866764 545578445 /nfs/dbraw/zinc/57/84/45/545578445.db2.gz JUOMAJQIHGKGTB-NVXWUHKLSA-N 0 3 355.862 2.493 10 0 FEAEHN CN(C)C[C@H]1CN(CCc2nc(-c3ccc(Cl)cc3)no2)CCO1 ZINC000158007355 545810917 /nfs/dbraw/zinc/81/09/17/545810917.db2.gz GCRYKHLFEACJJG-HNNXBMFYSA-N 0 3 350.850 2.195 10 0 FEAEHN COc1ccc([C@H](C)C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000159291905 545940962 /nfs/dbraw/zinc/94/09/62/545940962.db2.gz NHIVKSDSIUEYTK-JXFKEZNVSA-N 0 3 368.477 2.334 10 0 FEAEHN CN(CCn1cccn1)C[C@H](O)COc1cccc(Br)c1 ZINC000171968511 546231994 /nfs/dbraw/zinc/23/19/94/546231994.db2.gz RKGMCAWDYWBLJD-AWEZNQCLSA-N 0 3 354.248 2.017 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000176244173 546423966 /nfs/dbraw/zinc/42/39/66/546423966.db2.gz RHHFPDVVKQPAKO-QGZVFWFLSA-N 0 3 371.485 2.432 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1 ZINC000176289211 546427773 /nfs/dbraw/zinc/42/77/73/546427773.db2.gz TVABUUQYCBINTN-INIZCTEOSA-N 0 3 362.474 2.102 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccccc1OC(F)(F)F ZINC000176892677 546501866 /nfs/dbraw/zinc/50/18/66/546501866.db2.gz YSOJNBIOXIEBFV-LBPRGKRZSA-N 0 3 373.375 2.466 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000176889549 546501997 /nfs/dbraw/zinc/50/19/97/546501997.db2.gz AUXKUUCETKKPCT-ZDUSSCGKSA-N 0 3 355.385 2.169 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000176894211 546503076 /nfs/dbraw/zinc/50/30/76/546503076.db2.gz LQYVRRULJGVUOB-QGZVFWFLSA-N 0 3 359.470 2.357 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(OC)ccc1Cl ZINC000176899501 546504448 /nfs/dbraw/zinc/50/44/48/546504448.db2.gz YQZQGRPRCBHIND-LBPRGKRZSA-N 0 3 353.850 2.230 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000176978893 546518225 /nfs/dbraw/zinc/51/82/25/546518225.db2.gz WZCKCWASHSXQIC-JZXOWHBKSA-N 0 3 360.502 2.252 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000177000272 546520919 /nfs/dbraw/zinc/52/09/19/546520919.db2.gz YIYZLVWVHJAVEQ-WOJBJXKFSA-N 0 3 371.525 2.410 10 0 FEAEHN O=C(Nc1ccccc1OC1CCCC1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177695125 546669306 /nfs/dbraw/zinc/66/93/06/546669306.db2.gz ANKQBYXKLBQQSB-HNNXBMFYSA-N 0 3 357.454 2.253 10 0 FEAEHN CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000178310954 546773644 /nfs/dbraw/zinc/77/36/44/546773644.db2.gz KRYYFRBQKUJCQF-MOPGFXCFSA-N 0 3 372.469 2.054 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000178333991 546776709 /nfs/dbraw/zinc/77/67/09/546776709.db2.gz FOVPUJAZOROWIZ-WMLDXEAASA-N 0 3 370.453 2.454 10 0 FEAEHN C[C@@H]1CN(c2ccc(NC(=O)CN3CCN4CCC[C@@H]4C3)cc2)C[C@@H](C)O1 ZINC000178631021 546823141 /nfs/dbraw/zinc/82/31/41/546823141.db2.gz KNBPHFPQAFKIHF-MBOZVWFJSA-N 0 3 372.513 2.019 10 0 FEAEHN COCc1cccc(CNC(=O)CN2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000178746259 546843225 /nfs/dbraw/zinc/84/32/25/546843225.db2.gz KJTTYHYICCTXCS-LJQANCHMSA-N 0 3 356.470 2.119 10 0 FEAEHN COCc1nnc(-c2cccc(C(=O)N[C@H]3CN(C(C)C)C[C@@H]3C)c2)o1 ZINC000179730683 547005447 /nfs/dbraw/zinc/00/54/47/547005447.db2.gz HJDHBGOWXNVUPU-BBRMVZONSA-N 0 3 358.442 2.342 10 0 FEAEHN O[C@H](COCc1ccc(Cl)cc1)CN1CCCN(CC(F)F)CC1 ZINC000180575109 547134143 /nfs/dbraw/zinc/13/41/43/547134143.db2.gz PXDDTRJLMOPQSF-INIZCTEOSA-N 0 3 362.848 2.490 10 0 FEAEHN COCc1ccccc1NC(=O)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000180900532 547205090 /nfs/dbraw/zinc/20/50/90/547205090.db2.gz RDUTVSKDDCCTEB-INIZCTEOSA-N 0 3 369.465 2.408 10 0 FEAEHN CC(C)n1nccc1NC(=O)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000180899773 547205793 /nfs/dbraw/zinc/20/57/93/547205793.db2.gz OCIISIMDLULBND-HNNXBMFYSA-N 0 3 357.458 2.039 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000180918062 547209045 /nfs/dbraw/zinc/20/90/45/547209045.db2.gz LPQMKUBZVLUNPM-QGZVFWFLSA-N 0 3 366.527 2.354 10 0 FEAEHN CC(C)C(=O)N1CCCN(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)CC1 ZINC000181292967 547287334 /nfs/dbraw/zinc/28/73/34/547287334.db2.gz ZNHWFLSOQNGGAN-SFHVURJKSA-N 0 3 374.529 2.407 10 0 FEAEHN CC(C)C(=O)N1CCC(NC(=O)N[C@@H](C)CN(C)Cc2ccccc2)CC1 ZINC000181304491 547288796 /nfs/dbraw/zinc/28/87/96/547288796.db2.gz SMBIPSGRIKXYOP-KRWDZBQOSA-N 0 3 374.529 2.453 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)C(=O)NCc1ccco1 ZINC000181317216 547292211 /nfs/dbraw/zinc/29/22/11/547292211.db2.gz STHLOZFZORRWBU-HOTGVXAUSA-N 0 3 372.469 2.104 10 0 FEAEHN CCC[C@H](C(=O)N1CCN(Cc2c(C)nc3cc(C)ccn32)CC1)N(C)C ZINC000181721029 547367164 /nfs/dbraw/zinc/36/71/64/547367164.db2.gz QXCHNBLPXLNSGA-GOSISDBHSA-N 0 3 371.529 2.326 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000182092840 547436455 /nfs/dbraw/zinc/43/64/55/547436455.db2.gz DVGNGNHAOBXCPK-AWEZNQCLSA-N 0 3 350.422 2.173 10 0 FEAEHN COC[C@H](Cc1ccccc1)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182355940 547478959 /nfs/dbraw/zinc/47/89/59/547478959.db2.gz RCDVLMRNGUZPLN-ZWKOTPCHSA-N 0 3 356.470 2.071 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000182520898 547507567 /nfs/dbraw/zinc/50/75/67/547507567.db2.gz LYYIYOZNMWSLBS-AWEZNQCLSA-N 0 3 353.422 2.268 10 0 FEAEHN COc1cccc([C@@H]2[C@H](NC(=O)N3CC[C@@H](N(C)C)C3)CCN2C2CC2)c1 ZINC000183765030 547716380 /nfs/dbraw/zinc/71/63/80/547716380.db2.gz FSKLSHYFNHZOSO-MISYRCLQSA-N 0 3 372.513 2.319 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)[C@H]1CNC(=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000194880517 548544724 /nfs/dbraw/zinc/54/47/24/548544724.db2.gz BRUWSQQHNJXNST-UKRRQHHQSA-N 0 3 371.403 2.341 10 0 FEAEHN Cc1occc1C(=O)Nc1nc(CC(=O)N2CCN3CCC[C@H]3C2)cs1 ZINC000195333938 548626833 /nfs/dbraw/zinc/62/68/33/548626833.db2.gz AFSYIFNMSJBVCM-AWEZNQCLSA-N 0 3 374.466 2.146 10 0 FEAEHN CCOCc1ccc(CNC(=O)CN2CCC(c3ccn[nH]3)CC2)cc1 ZINC000195507480 548652309 /nfs/dbraw/zinc/65/23/09/548652309.db2.gz WRMJAPIRIVTXCA-UHFFFAOYSA-N 0 3 356.470 2.442 10 0 FEAEHN CCCC(=O)N[C@H]1CCCN(C[C@@H](O)COCc2ccccc2F)C1 ZINC000245199271 548899963 /nfs/dbraw/zinc/89/99/63/548899963.db2.gz GRZBNJYDTBLXKA-DLBZAZTESA-N 0 3 352.450 2.084 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000245414765 548912394 /nfs/dbraw/zinc/91/23/94/548912394.db2.gz DWHHJNHFTQSLCD-CRAIPNDOSA-N 0 3 356.474 2.454 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)C1 ZINC000245438336 548920241 /nfs/dbraw/zinc/92/02/41/548920241.db2.gz XWYFTZFGGOJSQQ-OALUTQOASA-N 0 3 372.513 2.465 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cn(-c2cccc(Cl)c2F)nn1 ZINC000245630862 548961855 /nfs/dbraw/zinc/96/18/55/548961855.db2.gz UEEJMJSJOJNMLJ-RYUDHWBXSA-N 0 3 363.824 2.369 10 0 FEAEHN Cc1nc(C[C@@H]2CCCN(C[C@@H](O)COCc3cccs3)C2)no1 ZINC000245867576 549006850 /nfs/dbraw/zinc/00/68/50/549006850.db2.gz UMSCGMQGWGCVCT-LSDHHAIUSA-N 0 3 351.472 2.272 10 0 FEAEHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000245895097 549013745 /nfs/dbraw/zinc/01/37/45/549013745.db2.gz MWWJLJBPYRPMNM-SJLPKXTDSA-N 0 3 356.474 2.145 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000245921947 549019610 /nfs/dbraw/zinc/01/96/10/549019610.db2.gz XBAJHVWNLYHWNJ-MNOVXSKESA-N 0 3 354.863 2.074 10 0 FEAEHN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)CN1CCN(C)CC1 ZINC000246013117 549036418 /nfs/dbraw/zinc/03/64/18/549036418.db2.gz IWSRPVKFDRTBRU-VNQPRFMTSA-N 0 3 351.441 2.068 10 0 FEAEHN CCOc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1F ZINC000246348168 549111650 /nfs/dbraw/zinc/11/16/50/549111650.db2.gz HPTNZDYHQIWTCC-DOMZBBRYSA-N 0 3 351.422 2.008 10 0 FEAEHN C[C@@H](NC(=O)CN1CCO[C@@H](CN(C)C)C1)c1cccc2ccccc21 ZINC000246384031 549120557 /nfs/dbraw/zinc/12/05/57/549120557.db2.gz OVIQDXVBSFENSC-AEFFLSMTSA-N 0 3 355.482 2.279 10 0 FEAEHN O=C1c2ccccc2C(=O)N1C[C@H](O)CN1CC[C@@H](Cc2ccccc2)C1 ZINC000246777742 549210216 /nfs/dbraw/zinc/21/02/16/549210216.db2.gz OLYUPOQNFWRFEB-ZWKOTPCHSA-N 0 3 364.445 2.208 10 0 FEAEHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C)N1C(=O)c2ccccc2C1=O ZINC000246846051 549227552 /nfs/dbraw/zinc/22/75/52/549227552.db2.gz FDRKJBZDMVLGOS-ZTFGCOKTSA-N 0 3 371.481 2.152 10 0 FEAEHN O[C@H](COCc1ccc(Cl)cc1)CN1CCS[C@H]2COCC[C@H]21 ZINC000246881557 549233549 /nfs/dbraw/zinc/23/35/49/549233549.db2.gz LTOONWLYSYMTKN-BBWFWOEESA-N 0 3 357.903 2.424 10 0 FEAEHN CCOc1ccc(OC[C@H](O)CN2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000247019177 549266610 /nfs/dbraw/zinc/26/66/10/549266610.db2.gz LSEXLIGOHVMKOW-ZWKOTPCHSA-N 0 3 359.470 2.495 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)CSCC(=O)Nc1ccc(F)cc1 ZINC000247112037 549285522 /nfs/dbraw/zinc/28/55/22/549285522.db2.gz ITBBTOWLGMCZFH-CJNGLKHVSA-N 0 3 365.474 2.193 10 0 FEAEHN COc1cccc(N2CCC[C@@H](NC(=O)N3CCN4CCC[C@H]4C3)C2)c1 ZINC000247243998 549304869 /nfs/dbraw/zinc/30/48/69/549304869.db2.gz XFUXBIAHZMPNSM-AEFFLSMTSA-N 0 3 358.486 2.154 10 0 FEAEHN COc1ccc(COC[C@H](O)CN2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000247582082 549362027 /nfs/dbraw/zinc/36/20/27/549362027.db2.gz IMUQCQPVFARRPU-RTBURBONSA-N 0 3 359.470 2.415 10 0 FEAEHN Cc1cccc(C)c1OC[C@H](O)CN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247875276 549388780 /nfs/dbraw/zinc/38/87/80/549388780.db2.gz YJYMFQAFBLRINH-RBUKOAKNSA-N 0 3 370.497 2.434 10 0 FEAEHN CN1C(=O)C[C@@H](C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)[C@@H]1c1ccc(F)cc1 ZINC000247975440 549396455 /nfs/dbraw/zinc/39/64/55/549396455.db2.gz GGZMZEILHNDYJI-UIXUWTQFSA-N 0 3 373.472 2.288 10 0 FEAEHN CC[C@@H]1CN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CCN1CCOC ZINC000247980029 549397947 /nfs/dbraw/zinc/39/79/47/549397947.db2.gz HHTUBKYNQPBJJJ-AABGKKOBSA-N 0 3 374.529 2.184 10 0 FEAEHN CN1C(=O)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)[C@@H]1c1ccc(F)cc1 ZINC000248031928 549401110 /nfs/dbraw/zinc/40/11/10/549401110.db2.gz KJNVAVNBLDQAPZ-DFEOGRTESA-N 0 3 359.445 2.040 10 0 FEAEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(CC(=O)N3CCCCC3)C[C@H]21 ZINC000248605206 549466974 /nfs/dbraw/zinc/46/69/74/549466974.db2.gz OWDXNUGRVHFOJO-ARFHVFGLSA-N 0 3 351.491 2.234 10 0 FEAEHN Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000248633686 549472647 /nfs/dbraw/zinc/47/26/47/549472647.db2.gz JBNTWNQBCJPBFB-NVXWUHKLSA-N 0 3 360.502 2.153 10 0 FEAEHN CCCCOC[C@H](O)CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000248649052 549476674 /nfs/dbraw/zinc/47/66/74/549476674.db2.gz KKVVSVNJESTNGT-IAGOWNOFSA-N 0 3 350.507 2.362 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)N(C)C[C@H]2CCCN2CC)C12CCOCC2 ZINC000248672901 549482018 /nfs/dbraw/zinc/48/20/18/549482018.db2.gz BUJPRMWTQIRCSO-IXDOHACOSA-N 0 3 353.507 2.086 10 0 FEAEHN CCO[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCCN2CC)C12CCOCC2 ZINC000248796774 549503670 /nfs/dbraw/zinc/50/36/70/549503670.db2.gz YTBXETFZAUGJPC-BRWVUGGUSA-N 0 3 353.507 2.134 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cnc(Cl)c(C)c1 ZINC000249151244 549561157 /nfs/dbraw/zinc/56/11/57/549561157.db2.gz HIUBNLQXTUHQGW-KGLIPLIRSA-N 0 3 350.850 2.067 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000249539022 549602804 /nfs/dbraw/zinc/60/28/04/549602804.db2.gz DIURWJRLIZSQNJ-WQVCFCJDSA-N 0 3 356.388 2.304 10 0 FEAEHN CN(C[C@H](O)Cn1cccn1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000249761464 549625600 /nfs/dbraw/zinc/62/56/00/549625600.db2.gz XSWBCSGTMBQXRB-UVBJJODRSA-N 0 3 356.253 2.141 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H]2CCO)C1 ZINC000251479170 549646532 /nfs/dbraw/zinc/64/65/32/549646532.db2.gz DANQTAWJADLPLA-GBESFXJTSA-N 0 3 360.502 2.096 10 0 FEAEHN CC(C)C1CCC(N2CCN(C(=O)[C@H](N)C3CCOCC3)CC2)CC1 ZINC000261809642 549758079 /nfs/dbraw/zinc/75/80/79/549758079.db2.gz OSAMVLKYONTRBS-NKELODKYSA-N 0 3 351.535 2.099 10 0 FEAEHN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C1(N)CCOCC1 ZINC000261908123 549768696 /nfs/dbraw/zinc/76/86/96/549768696.db2.gz SOLCOOJRAWVFCA-UHFFFAOYSA-N 0 3 367.287 2.447 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)[C@@H](N)COC)c1ccc(C(F)(F)F)cc1 ZINC000262171587 549795641 /nfs/dbraw/zinc/79/56/41/549795641.db2.gz AUZDGYQNZNCMBX-GJZGRUSLSA-N 0 3 361.408 2.178 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2cnn(-c3ccccc3)c2C2CC2)n1 ZINC000263138961 549880664 /nfs/dbraw/zinc/88/06/64/549880664.db2.gz CFPSYBJDOCSQBW-INIZCTEOSA-N 0 3 350.426 2.376 10 0 FEAEHN CCCOc1cn(-c2ccccc2)nc1-c1nc([C@H]2CNCCN2C)no1 ZINC000263190667 549884650 /nfs/dbraw/zinc/88/46/50/549884650.db2.gz HVFRSRNUGGCHNO-OAHLLOKOSA-N 0 3 368.441 2.287 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2ccc(OCc3ccccn3)cc2)n1 ZINC000263201385 549885124 /nfs/dbraw/zinc/88/51/24/549885124.db2.gz JBKRXCXFILAOCS-KRWDZBQOSA-N 0 3 351.410 2.287 10 0 FEAEHN CCCc1ccc(N2C[C@H](c3nc([C@H]4CNCCN4C)no3)CC2=O)cc1 ZINC000263279435 549891658 /nfs/dbraw/zinc/89/16/58/549891658.db2.gz TZKGQUWDNCYIPP-NVXWUHKLSA-N 0 3 369.469 2.119 10 0 FEAEHN CCOC(=O)[C@@H]1CC[C@H](NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C[C@H]1C ZINC000263510765 549906510 /nfs/dbraw/zinc/90/65/10/549906510.db2.gz NICMEZMPBGIFFF-ILOXBCRCSA-N 0 3 366.502 2.272 10 0 FEAEHN CCOC(=O)[C@@H]1CC[C@H](NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)C[C@H]1C ZINC000263510765 549906512 /nfs/dbraw/zinc/90/65/12/549906512.db2.gz NICMEZMPBGIFFF-ILOXBCRCSA-N 0 3 366.502 2.272 10 0 FEAEHN CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC(N(CC(=O)[O-])CC3CC3)C2)C[C@H]1C ZINC000263510765 549906514 /nfs/dbraw/zinc/90/65/14/549906514.db2.gz NICMEZMPBGIFFF-ILOXBCRCSA-N 0 3 366.502 2.272 10 0 FEAEHN C[C@@H](NC[C@H](C)N(C)C(=O)OC(C)(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000283373538 551355694 /nfs/dbraw/zinc/35/56/94/551355694.db2.gz ODSJPFSHBSOAAC-QWHCGFSZSA-N 0 3 371.503 2.240 10 0 FEAEHN CN(C)C(=O)COC[C@@H]1CN(Cc2cccc3cc[nH]c32)CC(C)(C)O1 ZINC000284670248 551603514 /nfs/dbraw/zinc/60/35/14/551603514.db2.gz YPSZGBRHZCUPAC-KRWDZBQOSA-N 0 3 359.470 2.252 10 0 FEAEHN CN(C)C(=O)COC[C@H]1CN(Cc2cccc3cc[nH]c32)CC(C)(C)O1 ZINC000284670252 551603655 /nfs/dbraw/zinc/60/36/55/551603655.db2.gz YPSZGBRHZCUPAC-QGZVFWFLSA-N 0 3 359.470 2.252 10 0 FEAEHN C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(F)c2)C[C@H]1N(C)C ZINC000300404462 553617204 /nfs/dbraw/zinc/61/72/04/553617204.db2.gz AJGDQJGYLGCNLZ-NOZJJQNGSA-N 0 3 365.268 2.159 10 0 FEAEHN CN(C)CCNC(=O)C1CCN(c2ncnc3sc4c(c32)CCC4)CC1 ZINC000301065354 553618535 /nfs/dbraw/zinc/61/85/35/553618535.db2.gz CYAJSHOCHYXRMD-UHFFFAOYSA-N 0 3 373.526 2.074 10 0 FEAEHN Cc1ccc([C@H](CNc2cc(N3CCC[C@H]3CO)ncn2)N(C)C)cc1 ZINC000301281514 553638694 /nfs/dbraw/zinc/63/86/94/553638694.db2.gz XURIFCCOHXFFGX-ROUUACIJSA-N 0 3 355.486 2.461 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)[C@H]2CCCN(c3ncnc4sccc43)C2)C1 ZINC000377833430 558430873 /nfs/dbraw/zinc/43/08/73/558430873.db2.gz ZAMWWHURSFNHEM-KBPBESRZSA-N 0 3 359.499 2.070 10 0 FEAEHN C[C@@H](NCC(=O)Nc1nc(CN2CCC(C)CC2)cs1)[C@H]1CCCO1 ZINC000183098590 672460113 /nfs/dbraw/zinc/46/01/13/672460113.db2.gz BGNABJIRIKYVDP-GDBMZVCRSA-N 0 3 366.531 2.471 10 0 FEAEHN CC(C)CNC(=O)[C@H](C)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000186024679 672538902 /nfs/dbraw/zinc/53/89/02/672538902.db2.gz QSZDXNVYBZRYCF-JONQDZQNSA-N 0 3 353.507 2.382 10 0 FEAEHN CC1(C)c2cc(Cl)ccc2N(CC(=O)N[C@@H]2CN3CCC2CC3)C1=O ZINC000222567384 672792165 /nfs/dbraw/zinc/79/21/65/672792165.db2.gz MOLXNFWKGGYQBI-OAHLLOKOSA-N 0 3 361.873 2.175 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1 ZINC000237022136 672805600 /nfs/dbraw/zinc/80/56/00/672805600.db2.gz RJOXVEMEQIDFPE-YMTOWFKASA-N 0 3 350.444 2.351 10 0 FEAEHN O[C@@H](CNC[C@H](O)[C@@H]1CCc2ccccc2O1)[C@H]1CCc2ccccc2O1 ZINC000006117244 539421898 /nfs/dbraw/zinc/42/18/98/539421898.db2.gz QSCYKSXNGYFRFZ-YHDSQAASSA-N 0 3 369.461 2.085 10 0 in-vitro FEAEHN CC(C)CCN1CCOc2ccc(CN3CCN(CCO)CC3)cc2C1 ZINC000022911980 539702135 /nfs/dbraw/zinc/70/21/35/539702135.db2.gz CNAPYGFTJJUOSK-UHFFFAOYSA-N 0 3 361.530 2.037 10 0 FEAEHN C[C@H](OC[C@@H](O)CN1CCC[C@@H]1C(=O)N(C)C)c1ccc(Cl)cc1 ZINC000028659432 539835120 /nfs/dbraw/zinc/83/51/20/539835120.db2.gz LJTSMYJORGKPDW-RRQGHBQHSA-N 0 3 354.878 2.331 10 0 FEAEHN C[C@@H]1Oc2ccccc2N(CC(=O)N[C@@H](CN(C)C)c2ccccc2)C1=O ZINC000029953921 539870244 /nfs/dbraw/zinc/87/02/44/539870244.db2.gz VWYJOJBFEQXQHN-RDJZCZTQSA-N 0 3 367.449 2.220 10 0 FEAEHN Cc1ccc(CN(CCN2CCOCC2)C[C@@H](O)COC(C)(C)C)s1 ZINC000036100918 539986729 /nfs/dbraw/zinc/98/67/29/539986729.db2.gz XTEJYKFFELSOAH-QGZVFWFLSA-N 0 3 370.559 2.367 10 0 FEAEHN CN(C)C[C@H](NC(=O)NCCCN(C)CC(F)(F)F)c1ccccc1 ZINC000045185491 540205951 /nfs/dbraw/zinc/20/59/51/540205951.db2.gz OTQLACLHYACNQZ-HNNXBMFYSA-N 0 3 360.424 2.473 10 0 FEAEHN CC(C)c1ccc(OCCNC(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000049191514 540384383 /nfs/dbraw/zinc/38/43/83/540384383.db2.gz VKZPUXVUQIBSBW-GOSISDBHSA-N 0 3 363.502 2.335 10 0 FEAEHN O=C(c1ccc(F)cc1I)N1CCN2CCC[C@H]2C1 ZINC000049516031 540390334 /nfs/dbraw/zinc/39/03/34/540390334.db2.gz XGDFPLAINJJPHX-NSHDSACASA-N 0 3 374.197 2.351 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)C1 ZINC000052594507 540476147 /nfs/dbraw/zinc/47/61/47/540476147.db2.gz JJHMCMKUMDQVLM-LJQANCHMSA-N 0 3 374.529 2.397 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)C1 ZINC000068587583 541612676 /nfs/dbraw/zinc/61/26/76/541612676.db2.gz VFJVPHYAWNRGJM-GOSISDBHSA-N 0 3 364.534 2.341 10 0 FEAEHN COc1ccccc1CN[C@@H]1CCc2c(c(C(=O)N3CCCC3)nn2C)C1 ZINC000014731225 220130828 /nfs/dbraw/zinc/13/08/28/220130828.db2.gz JZUYEQZTMOFNRO-MRXNPFEDSA-N 0 3 368.481 2.312 10 0 FEAEHN Cc1nn2c(ncc(C(=O)NCCN(C)C)c2C)c1-c1ccc(F)cc1 ZINC000015733083 220163440 /nfs/dbraw/zinc/16/34/40/220163440.db2.gz NKQUYZUNBQBLPC-UHFFFAOYSA-N 0 3 355.417 2.444 10 0 FEAEHN Cc1cc(CN2CCC([C@]3(c4cccnc4)NC(=O)NC3=O)CC2)oc1C ZINC000067691516 221272224 /nfs/dbraw/zinc/27/22/24/221272224.db2.gz FYOVPDKZFZSSEQ-HXUWFJFHSA-N 0 3 368.437 2.238 10 0 FEAEHN Cc1csc([C@H]2CCCN(Cc3cnc(N4CCN(C)CC4)nc3)C2)n1 ZINC000092788248 542887127 /nfs/dbraw/zinc/88/71/27/542887127.db2.gz DPMYLRFHCCKRHC-KRWDZBQOSA-N 0 3 372.542 2.373 10 0 FEAEHN CCN1CCN(c2nc(-c3ccncc3)nc3c2CCNC3)CC1(C)C ZINC000071745413 136139908 /nfs/dbraw/zinc/13/99/08/136139908.db2.gz MLHOYANKWVKDKH-UHFFFAOYSA-N 0 3 352.486 2.105 10 0 FEAEHN CCCC(=O)N[C@@H]1CCCN(CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000101564494 543033598 /nfs/dbraw/zinc/03/35/98/543033598.db2.gz UXDDNIXHCNUKEX-MRXNPFEDSA-N 0 3 371.481 2.444 10 0 FEAEHN CCCC(=O)N[C@H]1CCCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000101985259 543053422 /nfs/dbraw/zinc/05/34/22/543053422.db2.gz BLKUSWSSVWJDDG-RBUKOAKNSA-N 0 3 374.529 2.250 10 0 FEAEHN O[C@@H](CNCC1=Cc2ccccc2OC1)CN1CCc2ccccc2C1 ZINC000102421620 543069779 /nfs/dbraw/zinc/06/97/79/543069779.db2.gz QHVZCQKUHGPWMU-NRFANRHFSA-N 0 3 350.462 2.471 10 0 FEAEHN NC(=O)c1ccsc1NC(=O)CCN1CC[C@H](CNc2ccccn2)C1 ZINC000103473692 543109456 /nfs/dbraw/zinc/10/94/56/543109456.db2.gz LDMGVTYXYAMIPZ-CYBMUJFWSA-N 0 3 373.482 2.005 10 0 FEAEHN O=C(NCC1(N2CCSCC2)CCCC1)N1CCN2CCCC[C@@H]2C1 ZINC000105150141 543162354 /nfs/dbraw/zinc/16/23/54/543162354.db2.gz VNFTUTRYXSVKCL-QGZVFWFLSA-N 0 3 366.575 2.228 10 0 FEAEHN CN(C)C(=O)c1cccc(CN(C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000106075146 543190112 /nfs/dbraw/zinc/19/01/12/543190112.db2.gz RXJOLEJRXXCQBF-GOSISDBHSA-N 0 3 353.470 2.279 10 0 FEAEHN C[C@@H](O)CN1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)C[C@@H]1C ZINC000106097889 543195744 /nfs/dbraw/zinc/19/57/44/543195744.db2.gz AAEZFYFRRSJKFF-ZWKOTPCHSA-N 0 3 359.514 2.200 10 0 FEAEHN CC(C)N(C(=O)[C@H](C)N(C)C1CCN(CCn2cccn2)CC1)C(C)C ZINC000106129776 543206095 /nfs/dbraw/zinc/20/60/95/543206095.db2.gz NTJHKMMXXIOUJG-SFHVURJKSA-N 0 3 363.550 2.313 10 0 FEAEHN Cc1nc(C)n(C[C@H]2CCCN(C[C@@H](O)COc3ccccc3C)C2)n1 ZINC000106177208 543213404 /nfs/dbraw/zinc/21/34/04/543213404.db2.gz QJMKUGXIOMWWHM-RBUKOAKNSA-N 0 3 358.486 2.355 10 0 FEAEHN CCn1cnnc1[C@H]1CCCN(C(=O)c2ccccc2OCCN(C)C)C1 ZINC000110753043 543367710 /nfs/dbraw/zinc/36/77/10/543367710.db2.gz LFTBOZYBQWCTIV-INIZCTEOSA-N 0 3 371.485 2.258 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@H](C)C(=O)Nc1cccc3ncccc31)CC2 ZINC000112551050 543451209 /nfs/dbraw/zinc/45/12/09/543451209.db2.gz VYCGVTOHQJRURA-KGLIPLIRSA-N 0 3 364.453 2.320 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@H](C)C(=O)Nc1ccc(SC)cc1)CC2 ZINC000112550845 543451279 /nfs/dbraw/zinc/45/12/79/543451279.db2.gz OZBSHGBIHPDPQB-TZMCWYRMSA-N 0 3 359.499 2.494 10 0 FEAEHN C[C@H](N[C@H]1CCc2ncnn2C1)C(=O)Nc1ccccc1C(F)(F)F ZINC000112550476 543451360 /nfs/dbraw/zinc/45/13/60/543451360.db2.gz SYCGRNVFOHNZMD-QWRGUYRKSA-N 0 3 353.348 2.229 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)N[C@@H]1CCc2ncnn2C1)c1ccsc1 ZINC000112742930 543462291 /nfs/dbraw/zinc/46/22/91/543462291.db2.gz BUAPGMNDSPXPQZ-CABCVRRESA-N 0 3 362.503 2.037 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000113306102 543483966 /nfs/dbraw/zinc/48/39/66/543483966.db2.gz SLKHEAIHYAIPDZ-NWDGAFQWSA-N 0 3 364.389 2.442 10 0 FEAEHN C[C@H](CNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1)N1CCOCC1 ZINC000113590946 543491631 /nfs/dbraw/zinc/49/16/31/543491631.db2.gz MJWMXCBRCDTAOF-SJORKVTESA-N 0 3 362.518 2.136 10 0 FEAEHN Cc1cccc(CNC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)c1 ZINC000114586142 543524338 /nfs/dbraw/zinc/52/43/38/543524338.db2.gz NXFLLMVZMNUIIH-UHFFFAOYSA-N 0 3 367.497 2.483 10 0 FEAEHN CCOCCN1CCN(C(=O)N[C@@H](C)CN2CCCCC2)C[C@H]1CC ZINC000117032121 543621728 /nfs/dbraw/zinc/62/17/28/543621728.db2.gz YKBGDKPNBYZTIZ-ZWKOTPCHSA-N 0 3 354.539 2.003 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@H](C)CS(=O)(=O)c1ccccc1)CC2 ZINC000122892197 543729959 /nfs/dbraw/zinc/72/99/59/543729959.db2.gz ZXBBPWNAHPRLMQ-CABCVRRESA-N 0 3 362.499 2.168 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)C1 ZINC000124576454 543830727 /nfs/dbraw/zinc/83/07/27/543830727.db2.gz MZLPEHAHPSSBJU-GOSISDBHSA-N 0 3 374.485 2.201 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CNC(=O)c1ccccc1C(F)(F)F ZINC000124985642 543854668 /nfs/dbraw/zinc/85/46/68/543854668.db2.gz ZETHYCIITZPYFH-CYBMUJFWSA-N 0 3 371.403 2.378 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)cc2)CCO1 ZINC000128706068 544067977 /nfs/dbraw/zinc/06/79/77/544067977.db2.gz ACNFKDMZSOMFTA-CQSZACIVSA-N 0 3 361.364 2.422 10 0 FEAEHN Cc1coc(-c2ccc(C)c(NC(=O)C(=O)N3CC[C@H](N(C)C)C3)c2)n1 ZINC000128857174 544077014 /nfs/dbraw/zinc/07/70/14/544077014.db2.gz WZPVTATXQYVOMB-HNNXBMFYSA-N 0 3 356.426 2.059 10 0 FEAEHN CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)c1C ZINC000129349457 544107330 /nfs/dbraw/zinc/10/73/30/544107330.db2.gz BNUMBMQCANEPFK-MRXNPFEDSA-N 0 3 374.485 2.129 10 0 FEAEHN CN(C)C[C@](C)(O)CNC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000131370391 544188027 /nfs/dbraw/zinc/18/80/27/544188027.db2.gz ARRBHFNURBVUTL-QFBILLFUSA-N 0 3 361.486 2.435 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)N(C)Cc2ccccc2N2CCOCC2)[C@@H](C)C1 ZINC000132193345 544222446 /nfs/dbraw/zinc/22/24/46/544222446.db2.gz OLDJTTWQUJIRRL-HKUYNNGSSA-N 0 3 374.529 2.393 10 0 FEAEHN C[C@@H](NC(=O)N1CCN2CCC[C@H]2C1)c1ccc(N2CCOC2=O)cc1 ZINC000247510173 549348054 /nfs/dbraw/zinc/34/80/54/549348054.db2.gz PIJCWIKMWJVGRQ-PBHICJAKSA-N 0 3 358.442 2.194 10 0 FEAEHN CCOCCN1CCN(C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)C[C@H]1C ZINC000247536128 549352405 /nfs/dbraw/zinc/35/24/05/549352405.db2.gz CMLRGUDZIKRRDX-RTBURBONSA-N 0 3 374.529 2.057 10 0 FEAEHN C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@H]1CN(C)CCO1 ZINC000180491144 327688200 /nfs/dbraw/zinc/68/82/00/327688200.db2.gz AHPKWSNRPORADP-OLZOCXBDSA-N 0 3 359.392 2.343 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@H](C)c1cccc(N3CCOC3=O)c1)CC2 ZINC000180632659 327694651 /nfs/dbraw/zinc/69/46/51/327694651.db2.gz XLNJHKJIBZEWQS-HIFRSBDPSA-N 0 3 355.442 2.463 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2ccccc2C(=O)N2CCCCC2)CCO1 ZINC000181129028 327716998 /nfs/dbraw/zinc/71/69/98/327716998.db2.gz ILFXSSMVDCYAMX-INIZCTEOSA-N 0 3 374.485 2.107 10 0 FEAEHN Cc1nc(Br)ccc1NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000181306656 327724351 /nfs/dbraw/zinc/72/43/51/327724351.db2.gz COYZIUXKHPCOTQ-GFCCVEGCSA-N 0 3 371.279 2.121 10 0 FEAEHN C[C@@H](NCCS(=O)(=O)c1cccc(Br)c1)[C@H]1CCCO1 ZINC000183110243 327802186 /nfs/dbraw/zinc/80/21/86/327802186.db2.gz VSFJANPTDLGCDZ-BXUZGUMPSA-N 0 3 362.289 2.380 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)c1ccccc1OCC(=O)OC)CC2 ZINC000183753547 327833907 /nfs/dbraw/zinc/83/39/07/327833907.db2.gz AGFAWWHFYQFANQ-UONOGXRCSA-N 0 3 358.442 2.058 10 0 FEAEHN Cc1ccc2c(CCNC(=O)N3CCO[C@H](CN(C)C)C3)cn(C)c2c1 ZINC000187775059 328045090 /nfs/dbraw/zinc/04/50/90/328045090.db2.gz BIMCJERFNCTBOF-QGZVFWFLSA-N 0 3 358.486 2.001 10 0 FEAEHN CCCCOc1ccc(NC(=O)NC[C@@H](O)CN2CCCCC2)cn1 ZINC000187906413 328053833 /nfs/dbraw/zinc/05/38/33/328053833.db2.gz BBLSJABJSGKYHR-MRXNPFEDSA-N 0 3 350.463 2.229 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)CCO1 ZINC000189039207 328124997 /nfs/dbraw/zinc/12/49/97/328124997.db2.gz LMGFVAIYWYSEGC-CABCVRRESA-N 0 3 359.392 2.305 10 0 FEAEHN CN(C[C@@H](O)CN1C(=O)c2ccccc2C1=O)CC1(c2ccccc2)CC1 ZINC000189288015 328139197 /nfs/dbraw/zinc/13/91/97/328139197.db2.gz WWUHCOPDFGKWPU-QGZVFWFLSA-N 0 3 364.445 2.307 10 0 FEAEHN COC(=O)[C@](C)(CNC(=O)N[C@@H](CC(C)C)CN(C)C)c1ccccc1 ZINC000189729596 328164843 /nfs/dbraw/zinc/16/48/43/328164843.db2.gz ZVCWJEBOKIGAHH-FXAWDEMLSA-N 0 3 363.502 2.393 10 0 FEAEHN CC(C)c1cc(NC(=O)N2CCN3CCC[C@H]3C2)n(-c2ncccn2)n1 ZINC000189976427 328180017 /nfs/dbraw/zinc/18/00/17/328180017.db2.gz TUOMREYTQVSNDY-AWEZNQCLSA-N 0 3 355.446 2.098 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000190101764 328188516 /nfs/dbraw/zinc/18/85/16/328188516.db2.gz BDYUHTQYUHXPCM-IUODEOHRSA-N 0 3 351.397 2.432 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000190083096 328186672 /nfs/dbraw/zinc/18/66/72/328186672.db2.gz HSSFUDDZYQUCEH-WCQYABFASA-N 0 3 371.359 2.219 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc2ncsc2c1 ZINC000190348364 328201793 /nfs/dbraw/zinc/20/17/93/328201793.db2.gz YJMHATVDSCYGMD-UONOGXRCSA-N 0 3 358.467 2.320 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc2scnc2c1 ZINC000190348925 328201808 /nfs/dbraw/zinc/20/18/08/328201808.db2.gz GGFFMXVPVLXLCA-ZIAGYGMSSA-N 0 3 358.467 2.320 10 0 FEAEHN CCC[C@@H](C(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1)N(C)C ZINC000190516684 328213181 /nfs/dbraw/zinc/21/31/81/328213181.db2.gz MRPXCHBJBZLJTA-HOTGVXAUSA-N 0 3 352.548 2.462 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)CN2CCCCCCC2=O)C1 ZINC000190640564 328221311 /nfs/dbraw/zinc/22/13/11/328221311.db2.gz AKEDTRKQQWAHJR-IBGZPJMESA-N 0 3 372.513 2.155 10 0 FEAEHN Cc1noc(C)c1CNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190701686 328225908 /nfs/dbraw/zinc/22/59/08/328225908.db2.gz SPPVWGZCMVCQIP-KRWDZBQOSA-N 0 3 357.458 2.350 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC(Oc3ccc(F)nc3)CC2)C1 ZINC000191493069 328268260 /nfs/dbraw/zinc/26/82/60/328268260.db2.gz BWJFRGSFNAZVOZ-AWEZNQCLSA-N 0 3 350.438 2.258 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000193075760 328355799 /nfs/dbraw/zinc/35/57/99/328355799.db2.gz LOMVPRMYJTUEIH-CYBMUJFWSA-N 0 3 364.515 2.293 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1cccc(Cl)c1N(C)C ZINC000193802843 328396084 /nfs/dbraw/zinc/39/60/84/328396084.db2.gz TYGPXIDEFXRGNM-CYBMUJFWSA-N 0 3 368.909 2.437 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cccc(-c2cnco2)c1 ZINC000194239768 328416476 /nfs/dbraw/zinc/41/64/76/328416476.db2.gz XIJJXCMGKJSVGC-INIZCTEOSA-N 0 3 358.442 2.373 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)[C@H]1COCCN1)c1ccc(C(F)(F)F)cc1 ZINC000236885642 328497172 /nfs/dbraw/zinc/49/71/72/328497172.db2.gz XMIOIEYPLRELBV-HZPDHXFCSA-N 0 3 373.419 2.193 10 0 FEAEHN CCC[C@@H](N)C(=O)N1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000236932260 328498685 /nfs/dbraw/zinc/49/86/85/328498685.db2.gz IRWHHARZTQYHMI-GDBMZVCRSA-N 0 3 357.458 2.069 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000112441397 325781998 /nfs/dbraw/zinc/78/19/98/325781998.db2.gz QLIJQTRMJFBAOY-HOCLYGCPSA-N 0 3 364.465 2.207 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112441393 325782134 /nfs/dbraw/zinc/78/21/34/325782134.db2.gz QLIJQTRMJFBAOY-GOEBONIOSA-N 0 3 364.465 2.207 10 0 FEAEHN Cc1ccccc1[C@H](C)N[C@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000112516120 325788808 /nfs/dbraw/zinc/78/88/08/325788808.db2.gz AUVHPSKVMLXBOK-DLBZAZTESA-N 0 3 353.470 2.173 10 0 FEAEHN Cc1ccccc1CCNC(=O)[C@@H](C)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000112552031 325791121 /nfs/dbraw/zinc/79/11/21/325791121.db2.gz NLQPMKQHPJVQJN-AEFFLSMTSA-N 0 3 369.513 2.362 10 0 FEAEHN CC(C)CCO[C@@H](C)C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000114413773 325890334 /nfs/dbraw/zinc/89/03/34/325890334.db2.gz NSHQARCXJXWYJS-KRWDZBQOSA-N 0 3 362.518 2.243 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2cc3ccc(Br)cc3[nH]2)CCO1 ZINC000116784693 326035136 /nfs/dbraw/zinc/03/51/36/326035136.db2.gz FDMDPQMVFLHQKA-ZDUSSCGKSA-N 0 3 366.259 2.333 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N(C)Cc2cc(Br)cn2C)C1 ZINC000119730486 326192858 /nfs/dbraw/zinc/19/28/58/326192858.db2.gz XIQKOXHGOUJNIQ-ZDUSSCGKSA-N 0 3 357.296 2.413 10 0 FEAEHN O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000120691803 326279289 /nfs/dbraw/zinc/27/92/89/326279289.db2.gz RUQAFAZBOWLOIR-KNQAVFIVSA-N 0 3 371.525 2.352 10 0 FEAEHN C[C@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)c1ncc(-c2ccccc2)o1 ZINC000121179378 326319483 /nfs/dbraw/zinc/31/94/83/326319483.db2.gz QMZLSOUZPAOZJT-HOCLYGCPSA-N 0 3 358.442 2.375 10 0 FEAEHN CC1CCN(CC(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)CC1 ZINC000121772682 326366092 /nfs/dbraw/zinc/36/60/92/326366092.db2.gz YHUWWLDSYVCEAI-NRFANRHFSA-N 0 3 373.541 2.280 10 0 FEAEHN COc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000121816046 326369664 /nfs/dbraw/zinc/36/96/64/326369664.db2.gz MFYFYSKFRIEVAP-ZDUSSCGKSA-N 0 3 355.866 2.380 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccccc1N1CCCC1 ZINC000121849585 326372049 /nfs/dbraw/zinc/37/20/49/326372049.db2.gz WZKAWRWBVULRRO-INIZCTEOSA-N 0 3 360.502 2.318 10 0 FEAEHN Cc1ccn2c(c1)ncc(C(=O)N[C@H](CN(C)C)c1ccccc1)c2=O ZINC000122325421 326392424 /nfs/dbraw/zinc/39/24/24/326392424.db2.gz PMUKCLMXAURJAZ-QGZVFWFLSA-N 0 3 350.422 2.036 10 0 FEAEHN Cc1ccc(I)cc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000152147961 326700111 /nfs/dbraw/zinc/70/01/11/326700111.db2.gz MHXPFGITSNGWPV-GFCCVEGCSA-N 0 3 358.223 2.376 10 0 FEAEHN CCCCS(=O)(=O)Nc1ccc(NC(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000152210083 326701604 /nfs/dbraw/zinc/70/16/04/326701604.db2.gz ARPYUQTVIMCSIT-INIZCTEOSA-N 0 3 368.503 2.396 10 0 FEAEHN O=C(NCC1CCN(CCO)CC1)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000154929120 326772762 /nfs/dbraw/zinc/77/27/62/326772762.db2.gz VFDOLQPSZPIASN-DLBZAZTESA-N 0 3 351.878 2.199 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000158418060 326895250 /nfs/dbraw/zinc/89/52/50/326895250.db2.gz FFGSYCNZEYDZFX-JTQLQIEISA-N 0 3 374.666 2.204 10 0 FEAEHN CCC[C@H](C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1)N(C)C ZINC000161793717 327009453 /nfs/dbraw/zinc/00/94/53/327009453.db2.gz GDHSWZYFOVGPDD-QZTJIDSGSA-N 0 3 351.466 2.046 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CNC[C@H](O)C1CCCCC1 ZINC000170791036 327099316 /nfs/dbraw/zinc/09/93/16/327099316.db2.gz WXTUSIBLSHOXGI-SFHVURJKSA-N 0 3 364.534 2.411 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000170832489 327101298 /nfs/dbraw/zinc/10/12/98/327101298.db2.gz AWVXXDOPKQNLRO-HNNXBMFYSA-N 0 3 352.866 2.404 10 0 FEAEHN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)N2CC[C@@H](N(C)C)C2)C1 ZINC000170836690 327101798 /nfs/dbraw/zinc/10/17/98/327101798.db2.gz OWXOTPUABABJCN-LSDHHAIUSA-N 0 3 366.893 2.273 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2COc2ccccc2)C1 ZINC000170843428 327102244 /nfs/dbraw/zinc/10/22/44/327102244.db2.gz KFGYCRDONHUXKP-KRWDZBQOSA-N 0 3 367.449 2.367 10 0 FEAEHN CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170861569 327103302 /nfs/dbraw/zinc/10/33/02/327103302.db2.gz CWYWFOLZZRQJEE-SJORKVTESA-N 0 3 363.527 2.009 10 0 FEAEHN Cc1occc1C(=O)Nc1nc(CC(=O)N2CC[C@@H](N(C)C)C2)cs1 ZINC000170865668 327103733 /nfs/dbraw/zinc/10/37/33/327103733.db2.gz IKZQQJGDKLXEQP-CYBMUJFWSA-N 0 3 362.455 2.002 10 0 FEAEHN O=C(CCCOc1ccc2c(c1)CCC(=O)N2)N1CCN2CCC[C@@H]2C1 ZINC000170948959 327109506 /nfs/dbraw/zinc/10/95/06/327109506.db2.gz UJNQOASXBRKGJX-MRXNPFEDSA-N 0 3 357.454 2.037 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2ccc(I)cc2)C1 ZINC000171068879 327115439 /nfs/dbraw/zinc/11/54/39/327115439.db2.gz VYYCYHPQBJUUNC-GFCCVEGCSA-N 0 3 359.211 2.459 10 0 FEAEHN Cc1cnn(C[C@H]2CN(C(=O)Nc3cccc(CN(C)C)c3)CCO2)c1 ZINC000171837192 327164706 /nfs/dbraw/zinc/16/47/06/327164706.db2.gz NBAFLMOJUQTCEI-GOSISDBHSA-N 0 3 357.458 2.186 10 0 FEAEHN COc1ccccc1[C@@H](CNC(=O)N1CCN2CCC[C@@H]2C1)N1CCCC1 ZINC000171897982 327167921 /nfs/dbraw/zinc/16/79/21/327167921.db2.gz MSFFBQLKUAYRGU-IEBWSBKVSA-N 0 3 372.513 2.322 10 0 FEAEHN O=C(NCCOc1ccc(Br)cc1)N1CCN2CCC[C@H]2C1 ZINC000171905123 327169324 /nfs/dbraw/zinc/16/93/24/327169324.db2.gz AYIRKQYWYFFISN-AWEZNQCLSA-N 0 3 368.275 2.318 10 0 FEAEHN COc1ccc(C(C)(C)CNC(=O)N2CCN3CCC[C@H]3C2)cc1OC ZINC000171907564 327169651 /nfs/dbraw/zinc/16/96/51/327169651.db2.gz BBAUSXDXZRNOSN-INIZCTEOSA-N 0 3 361.486 2.471 10 0 FEAEHN C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCN2CCCC[C@@H]2C1 ZINC000172805064 327220241 /nfs/dbraw/zinc/22/02/41/327220241.db2.gz QADQJLSYFPWSHZ-GOEBONIOSA-N 0 3 353.474 2.429 10 0 FEAEHN C[C@@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)Oc1ccc(Cl)cc1 ZINC000173446469 327257755 /nfs/dbraw/zinc/25/77/55/327257755.db2.gz SIPNSKLEAORQAV-XJKSGUPXSA-N 0 3 355.866 2.079 10 0 FEAEHN C[C@H](COCc1ccccc1)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000173531464 327264396 /nfs/dbraw/zinc/26/43/96/327264396.db2.gz ZCJOHNRJUAXJPL-MRXNPFEDSA-N 0 3 369.465 2.408 10 0 FEAEHN COCCCN(C)CCNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173578741 327268453 /nfs/dbraw/zinc/26/84/53/327268453.db2.gz AYSCEACKGMOANB-INIZCTEOSA-N 0 3 359.474 2.201 10 0 FEAEHN Cc1ccc([C@@H](CN[C@@H](C)C(=O)NCC(C)C)N2CCOCC2)s1 ZINC000173646174 327273368 /nfs/dbraw/zinc/27/33/68/327273368.db2.gz WNRBCIZVBVZZKL-JKSUJKDBSA-N 0 3 353.532 2.180 10 0 FEAEHN Cc1cc(C)n(CC(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)n1 ZINC000174854211 327355332 /nfs/dbraw/zinc/35/53/32/327355332.db2.gz RFZQZUBHLHAENG-FQEVSTJZSA-N 0 3 370.497 2.062 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)N[C@H](CC(C)C)CN(C)C)C12CCOCC2 ZINC000248795896 328741496 /nfs/dbraw/zinc/74/14/96/328741496.db2.gz YRFDRVODMGLLJG-IXDOHACOSA-N 0 3 355.523 2.236 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cc(N2C[C@@H](C)O[C@H](C)C2)ccn1 ZINC000248816153 328742490 /nfs/dbraw/zinc/74/24/90/328742490.db2.gz CXXAKKASQVOLLJ-BRWVUGGUSA-N 0 3 362.518 2.401 10 0 FEAEHN NC1(C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)CCOCC1 ZINC000261845768 328823993 /nfs/dbraw/zinc/82/39/93/328823993.db2.gz LYPQZWZSHRJTLI-UHFFFAOYSA-N 0 3 360.454 2.241 10 0 FEAEHN NC1(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)CCOCC1 ZINC000261928757 328830023 /nfs/dbraw/zinc/83/00/23/328830023.db2.gz WAQSFFMDRPYWPT-UHFFFAOYSA-N 0 3 365.861 2.413 10 0 FEAEHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000262100519 328842241 /nfs/dbraw/zinc/84/22/41/328842241.db2.gz LZRGTPYLRCSBDZ-SFTDATJTSA-N 0 3 365.477 2.260 10 0 FEAEHN CN1CCNC[C@@H]1c1noc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)n1 ZINC000263236942 328927501 /nfs/dbraw/zinc/92/75/01/328927501.db2.gz ODRXBVSKHNQIDQ-GDBMZVCRSA-N 0 3 370.457 2.057 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2cccc(OCc3cscn3)c2)n1 ZINC000263258758 328928730 /nfs/dbraw/zinc/92/87/30/328928730.db2.gz QRDBSFBVWUJWGW-OAHLLOKOSA-N 0 3 357.439 2.348 10 0 FEAEHN CN1CCNC[C@H]1c1noc([C@@H]2CCCCN2C(=O)c2cccs2)n1 ZINC000263314567 328932445 /nfs/dbraw/zinc/93/24/45/328932445.db2.gz ZGQDFTVZIKDFHA-STQMWFEESA-N 0 3 361.471 2.075 10 0 FEAEHN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CCO2)n1 ZINC000156356211 545620921 /nfs/dbraw/zinc/62/09/21/545620921.db2.gz VCEUXYKQNMVWLX-IBGZPJMESA-N 0 3 356.470 2.103 10 0 FEAEHN CN(C)C[C@H]1CN(CC(=O)NCC2(c3ccccc3)CCCCC2)CCO1 ZINC000157811868 545788181 /nfs/dbraw/zinc/78/81/81/545788181.db2.gz PCDVHNWFDSIULS-FQEVSTJZSA-N 0 3 373.541 2.267 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)c2cc(I)c[nH]2)[C@@H](C)C1 ZINC000159103234 545922032 /nfs/dbraw/zinc/92/20/32/545922032.db2.gz FWSFCPPKTYBFFO-CABZTGNLSA-N 0 3 361.227 2.078 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000170855199 546179329 /nfs/dbraw/zinc/17/93/29/546179329.db2.gz KSLZGRAMWLIELV-SJKOYZFVSA-N 0 3 365.886 2.431 10 0 FEAEHN CCOC(=O)c1cnn(-c2ccc(C(=O)N3CC[C@H](N(C)C)C3)cc2)c1C ZINC000170866931 546180348 /nfs/dbraw/zinc/18/03/48/546180348.db2.gz FKFSUICKUSDNND-KRWDZBQOSA-N 0 3 370.453 2.134 10 0 FEAEHN CCO[C@H](CCNC(=O)NC[C@@H](O)CN1CCCCC1)C1CCCC1 ZINC000176508941 546455501 /nfs/dbraw/zinc/45/55/01/546455501.db2.gz USLMENUHTWBXSO-QZTJIDSGSA-N 0 3 355.523 2.118 10 0 FEAEHN CCOc1cc(F)ccc1NC(=O)C(=O)N(C)C[C@@H]1CCCN1CC ZINC000176893292 546501920 /nfs/dbraw/zinc/50/19/20/546501920.db2.gz AHTORPSFXPTFNO-AWEZNQCLSA-N 0 3 351.422 2.106 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000176899296 546504069 /nfs/dbraw/zinc/50/40/69/546504069.db2.gz UONKDMYWKAMSNJ-LBPRGKRZSA-N 0 3 373.375 2.308 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000177024567 546524878 /nfs/dbraw/zinc/52/48/78/546524878.db2.gz DMXYGRXIJWGVCH-SJORKVTESA-N 0 3 352.523 2.007 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000177038390 546529203 /nfs/dbraw/zinc/52/92/03/546529203.db2.gz JETCGJYSNAGCHU-QGZVFWFLSA-N 0 3 359.470 2.135 10 0 FEAEHN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000177274274 546584951 /nfs/dbraw/zinc/58/49/51/546584951.db2.gz QIPRISBQHVKSEP-OAHLLOKOSA-N 0 3 360.458 2.099 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1ccc(CN2CCCC2=O)cc1 ZINC000177382016 546605882 /nfs/dbraw/zinc/60/58/82/546605882.db2.gz UYATYSHYESWGGI-LJQANCHMSA-N 0 3 372.513 2.435 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCC(=O)N1CCCc2ccccc21 ZINC000177431556 546616210 /nfs/dbraw/zinc/61/62/10/546616210.db2.gz AHOCVRLENWDRPA-QGZVFWFLSA-N 0 3 358.486 2.092 10 0 FEAEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)[C@@H]1CCCOC1 ZINC000177466208 546625431 /nfs/dbraw/zinc/62/54/31/546625431.db2.gz LSTWASGBOCNJCX-WOJBJXKFSA-N 0 3 360.498 2.317 10 0 FEAEHN Cc1cc(C)n(-c2ccccc2CNC(=O)N2CCN3CCC[C@H]3C2)n1 ZINC000177640479 546658366 /nfs/dbraw/zinc/65/83/66/546658366.db2.gz CDVXVJNMRUEHDX-SFHVURJKSA-N 0 3 353.470 2.479 10 0 FEAEHN O=C(Nc1cc(C(F)(F)F)ccc1F)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177683393 546666512 /nfs/dbraw/zinc/66/65/12/546666512.db2.gz XLUQYUYENLDPIH-LLVKDONJSA-N 0 3 359.323 2.090 10 0 FEAEHN CC(C)CCOc1ccc(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000177684216 546666562 /nfs/dbraw/zinc/66/65/62/546666562.db2.gz PPLIKFDIJQWCDY-QGZVFWFLSA-N 0 3 359.470 2.357 10 0 FEAEHN O=C(Nc1ccc(F)cc1C(F)(F)F)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177686023 546668252 /nfs/dbraw/zinc/66/82/52/546668252.db2.gz POPJNEIFFFEWAN-LLVKDONJSA-N 0 3 359.323 2.090 10 0 FEAEHN COc1ccccc1CCNC(=O)CN1CCC[C@@H]1Cn1ccnc1C ZINC000178320368 546774975 /nfs/dbraw/zinc/77/49/75/546774975.db2.gz JAAXXOWBAIAODG-GOSISDBHSA-N 0 3 356.470 2.023 10 0 FEAEHN C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178696391 546834526 /nfs/dbraw/zinc/83/45/26/546834526.db2.gz WTVPNFQIAXIKGZ-WOIUINJBSA-N 0 3 371.525 2.351 10 0 FEAEHN COc1cc(NC(=O)CN2CCC[C@H]2Cn2ccnc2C)cc(OC)c1 ZINC000178749375 546842780 /nfs/dbraw/zinc/84/27/80/546842780.db2.gz PKYQLQQAWYFTSI-INIZCTEOSA-N 0 3 358.442 2.312 10 0 FEAEHN COC(=O)C[C@@H]1CCCN1C[C@H](O)COc1cccc(Br)c1 ZINC000179144416 546905298 /nfs/dbraw/zinc/90/52/98/546905298.db2.gz GOFPAQDDSWTBNK-KBPBESRZSA-N 0 3 372.259 2.216 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2ccn(-c3ccccc3Cl)n2)CCO1 ZINC000181243773 547279189 /nfs/dbraw/zinc/27/91/89/547279189.db2.gz WVDDRXSYNGBQIC-ZDUSSCGKSA-N 0 3 363.849 2.320 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000181776768 547379204 /nfs/dbraw/zinc/37/92/04/547379204.db2.gz DOYPOVUUAAVVEE-SNVBAGLBSA-N 0 3 361.776 2.042 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(CC(=O)N(C)C)CC1 ZINC000182780081 547551234 /nfs/dbraw/zinc/55/12/34/547551234.db2.gz CBDYOCRVIWUDEE-KRWDZBQOSA-N 0 3 374.529 2.407 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000182809702 547555814 /nfs/dbraw/zinc/55/58/14/547555814.db2.gz UDBVEFJSYQBHGX-CQSZACIVSA-N 0 3 365.861 2.424 10 0 FEAEHN COCCN1CCN(Cc2nc3ccc(Br)cc3[nH]2)C[C@@H]1C ZINC000184967230 547909445 /nfs/dbraw/zinc/90/94/45/547909445.db2.gz NRERGVWOTRRIMT-LBPRGKRZSA-N 0 3 367.291 2.478 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)C1 ZINC000185215100 547953124 /nfs/dbraw/zinc/95/31/24/547953124.db2.gz YLNYKWKICUOVST-GOSISDBHSA-N 0 3 363.477 2.389 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)N[C@@H](C)CN2CCC[C@H](C)C2)C12CCOCC2 ZINC000185820966 548040799 /nfs/dbraw/zinc/04/07/99/548040799.db2.gz LZTVWTXOONFTSS-XLAORIBOSA-N 0 3 367.534 2.380 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@H](Cc1ccc(Cl)cc1)C(N)=O)CC2 ZINC000185925914 548060118 /nfs/dbraw/zinc/06/01/18/548060118.db2.gz WBIVTNCEILGCSP-HUUCEWRRSA-N 0 3 361.877 2.056 10 0 FEAEHN COc1ccccc1C(=O)N[C@H](C(=O)N(C)CCN(C)C1CC1)C(C)C ZINC000186706003 548177228 /nfs/dbraw/zinc/17/72/28/548177228.db2.gz KPMAAUHZLOYZRD-SFHVURJKSA-N 0 3 361.486 2.002 10 0 FEAEHN CCN1CCN(c2ccccc2NC(=O)N[C@@H]2CCCN(CC)C2)CC1 ZINC000194325655 548466169 /nfs/dbraw/zinc/46/61/69/548466169.db2.gz OOTIXOYSNMXBDX-QGZVFWFLSA-N 0 3 359.518 2.434 10 0 FEAEHN Cc1cc(NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)ccc1Oc1ccncc1 ZINC000194827516 548537253 /nfs/dbraw/zinc/53/72/53/548537253.db2.gz GXNFPQYZYBZWSZ-MRXNPFEDSA-N 0 3 368.437 2.283 10 0 FEAEHN COc1ccccc1[C@H](CNC(=O)NC[C@H]1CCCN1C)N1CCCC1 ZINC000195122100 548581292 /nfs/dbraw/zinc/58/12/92/548581292.db2.gz IPEIKQCZTGKMLU-AEFFLSMTSA-N 0 3 360.502 2.226 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN([C@@H](C)C(=O)Nc2ncccn2)C1 ZINC000195251736 548604121 /nfs/dbraw/zinc/60/41/21/548604121.db2.gz OXKNHKOPMRTLOK-LSDHHAIUSA-N 0 3 374.514 2.022 10 0 FEAEHN Cc1ccc(CNC(=O)CN2CC[C@H](CN(C)Cc3cccnc3)C2)cc1 ZINC000195272857 548609112 /nfs/dbraw/zinc/60/91/12/548609112.db2.gz NGZUCPJVOOWCFB-OAQYLSRUSA-N 0 3 366.509 2.460 10 0 FEAEHN COc1ccc(NC(=O)CN2CC[C@H](CN(C)Cc3cccnc3)C2)cc1 ZINC000195299181 548616266 /nfs/dbraw/zinc/61/62/66/548616266.db2.gz LBESRRDYZNDKMC-GOSISDBHSA-N 0 3 368.481 2.483 10 0 FEAEHN O=C(CN1CCC(c2ccn[nH]2)CC1)NCCOc1cccc(Cl)c1 ZINC000195507302 548652155 /nfs/dbraw/zinc/65/21/55/548652155.db2.gz LJOUDSCPWUHXLA-UHFFFAOYSA-N 0 3 362.861 2.438 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000245428969 548915659 /nfs/dbraw/zinc/91/56/59/548915659.db2.gz JSYNBAXOZVOQQO-JKSUJKDBSA-N 0 3 353.532 2.021 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(C)cc1C(=O)OC ZINC000245550589 548944156 /nfs/dbraw/zinc/94/41/56/548944156.db2.gz ORKLPMURNNGDRI-GJZGRUSLSA-N 0 3 366.483 2.029 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1[C@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000245933458 549024176 /nfs/dbraw/zinc/02/41/76/549024176.db2.gz KBCNFCYBJWAECQ-QAPCUYQASA-N 0 3 369.469 2.070 10 0 FEAEHN CNC(=O)[C@H](NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1)C(C)C ZINC000246266466 549092603 /nfs/dbraw/zinc/09/26/03/549092603.db2.gz YEURRTALCJWQJH-FVQBIDKESA-N 0 3 366.531 2.201 10 0 FEAEHN CC[C@H]1CN(C[C@@H](O)COc2ccccc2Cl)CCN1CCOC ZINC000246280654 549095660 /nfs/dbraw/zinc/09/56/60/549095660.db2.gz HTCCQILIDKDCMY-JKSUJKDBSA-N 0 3 356.894 2.122 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000246437744 549133789 /nfs/dbraw/zinc/13/37/89/549133789.db2.gz NEWROUYHBKMUND-RDJZCZTQSA-N 0 3 354.458 2.221 10 0 FEAEHN COc1ccccc1N1CC[C@H](N2CCC[C@H]2Cn2ccnc2C)C1=O ZINC000246573457 549164741 /nfs/dbraw/zinc/16/47/41/549164741.db2.gz XRDYZOQEURDAHH-WMZOPIPTSA-N 0 3 354.454 2.470 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(OC3CCCC3)nc2)C1 ZINC000246577126 549166917 /nfs/dbraw/zinc/16/69/17/549166917.db2.gz XWPFOLVSWUUJHG-WMLDXEAASA-N 0 3 374.485 2.186 10 0 FEAEHN CC[C@H](NC(=O)N1CC[C@@H](N(C)C)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000246648553 549182758 /nfs/dbraw/zinc/18/27/58/549182758.db2.gz ZATQOJWJTXFTHI-AABGKKOBSA-N 0 3 374.529 2.012 10 0 FEAEHN CC(=O)Nc1cccc2c1CCN(C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C)C2 ZINC000246851716 549229116 /nfs/dbraw/zinc/22/91/16/549229116.db2.gz FISAJXJMAAOWOK-AUUYWEPGSA-N 0 3 358.486 2.441 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000246927016 549245021 /nfs/dbraw/zinc/24/50/21/549245021.db2.gz BSRNURPELBTSEQ-IRXDYDNUSA-N 0 3 357.433 2.164 10 0 FEAEHN Cc1ccc(-n2cnnc2SCC(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1 ZINC000247017866 549265022 /nfs/dbraw/zinc/26/50/22/549265022.db2.gz GAQUWNYVWRIXCL-NVXWUHKLSA-N 0 3 371.510 2.363 10 0 FEAEHN CC[C@H]1CN(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)CCN1C[C@H](C)O ZINC000247041364 549271238 /nfs/dbraw/zinc/27/12/38/549271238.db2.gz OGAJXSNDYZDPBA-HOCLYGCPSA-N 0 3 372.469 2.003 10 0 FEAEHN CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000247660136 549369972 /nfs/dbraw/zinc/36/99/72/549369972.db2.gz ZTRIBTMBILLUDW-HOTGVXAUSA-N 0 3 366.506 2.123 10 0 FEAEHN Cc1ccccc1Nc1nc(N)nc(CN2CCN3CCCC[C@H]3C2)n1 ZINC000248371847 549423992 /nfs/dbraw/zinc/42/39/92/549423992.db2.gz ZEBINKWRIDMSMH-HNNXBMFYSA-N 0 3 353.474 2.176 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000248877940 549520119 /nfs/dbraw/zinc/52/01/19/549520119.db2.gz CRKGGVIJVYNWMP-STQMWFEESA-N 0 3 372.512 2.090 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC[C@@](C)(C(=O)OC)c1ccccc1 ZINC000248941628 549529149 /nfs/dbraw/zinc/52/91/49/549529149.db2.gz CTBDGFRXQXZFKH-YLJYHZDGSA-N 0 3 361.486 2.243 10 0 FEAEHN CC(C)N1CC[C@@H](N2CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC2)C1=O ZINC000249042521 549541599 /nfs/dbraw/zinc/54/15/99/549541599.db2.gz NJMGGASKMIIKBR-IAGOWNOFSA-N 0 3 367.534 2.124 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(-c2ncco2)c1 ZINC000249190201 549567263 /nfs/dbraw/zinc/56/72/63/549567263.db2.gz PDIHOIAMEAKWNL-SJORKVTESA-N 0 3 368.437 2.365 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000249238088 549572405 /nfs/dbraw/zinc/57/24/05/549572405.db2.gz WFXMMBPRVQSOBN-CVEARBPZSA-N 0 3 367.453 2.100 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000249265008 549574793 /nfs/dbraw/zinc/57/47/93/549574793.db2.gz ZKUGTTQVCNKEHC-JQWIXIFHSA-N 0 3 371.359 2.061 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(CC)C2)[C@@H]1Oc1ccccc1 ZINC000249462068 549594060 /nfs/dbraw/zinc/59/40/60/549594060.db2.gz REFGOOPTRQKSBA-KANFNMMFSA-N 0 3 361.486 2.395 10 0 FEAEHN NC1(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)CCOCC1 ZINC000261662783 549740618 /nfs/dbraw/zinc/74/06/18/549740618.db2.gz BHGNVSNTTMUZKF-UHFFFAOYSA-N 0 3 371.412 2.202 10 0 FEAEHN COCCSc1ccc([C@H](C)NC(=O)[C@H](N)C2CCOCC2)cc1 ZINC000262006466 549778949 /nfs/dbraw/zinc/77/89/49/549778949.db2.gz NVIIOPYJXQEQPB-SUMWQHHRSA-N 0 3 352.500 2.356 10 0 FEAEHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1CC(F)(F)CN1 ZINC000262998608 549870246 /nfs/dbraw/zinc/87/02/46/549870246.db2.gz OMIUSBWCVMEXOL-IRXDYDNUSA-N 0 3 351.441 2.354 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2cnn(C(C)(C)C)c2C(F)(F)F)n1 ZINC000263276823 549891456 /nfs/dbraw/zinc/89/14/56/549891456.db2.gz SYBNPPGEHGGAKX-JTQLQIEISA-N 0 3 358.368 2.283 10 0 FEAEHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1cc(N2CCC[C@H]2CO)ncn1 ZINC000302189220 553709515 /nfs/dbraw/zinc/70/95/15/553709515.db2.gz XRHGUBRRZFBYPL-NEWSRXKRSA-N 0 3 367.497 2.370 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000221944998 568036051 /nfs/dbraw/zinc/03/60/51/568036051.db2.gz FQJCUQAMJKIRFG-IXDOHACOSA-N 0 3 356.555 2.150 10 0 FEAEHN CN(C)C[C@H](NC(=O)C[C@H](NC(N)=O)c1cccs1)c1ccccc1 ZINC000041999741 670154931 /nfs/dbraw/zinc/15/49/31/670154931.db2.gz PKILQUORKVXMPP-GJZGRUSLSA-N 0 3 360.483 2.267 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000052594441 670315929 /nfs/dbraw/zinc/31/59/29/670315929.db2.gz OQVQGBPWXPFIAW-HNNXBMFYSA-N 0 3 354.495 2.169 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Nc2cccc(C[S@@](=O)CCOC)c2)C1 ZINC000117020016 670911331 /nfs/dbraw/zinc/91/13/31/670911331.db2.gz GYAHMHQXJSBMAY-CRICUBBOSA-N 0 3 367.515 2.188 10 0 FEAEHN CCCN(C(=O)[C@H](C)N[C@@H](C)c1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000125715952 672015530 /nfs/dbraw/zinc/01/55/30/672015530.db2.gz XVOGJQFFJWLVKR-ULQDDVLXSA-N 0 3 366.527 2.460 10 0 FEAEHN CN(C)C[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CCO1 ZINC000151292183 672159957 /nfs/dbraw/zinc/15/99/57/672159957.db2.gz PTNVURXCBVCZHA-CQSZACIVSA-N 0 3 367.298 2.086 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000237020154 672805511 /nfs/dbraw/zinc/80/55/11/672805511.db2.gz DVTOHBJEAKYPOT-CZUORRHYSA-N 0 3 353.488 2.173 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000237059878 672805899 /nfs/dbraw/zinc/80/58/99/672805899.db2.gz GETKMOOLARVFOR-LKFCYVNXSA-N 0 3 356.264 2.186 10 0 FEAEHN C[C@H](O)CN1CCN(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000246023199 672828282 /nfs/dbraw/zinc/82/82/82/672828282.db2.gz MAGLLKDUGKQDNG-IKGGRYGDSA-N 0 3 355.523 2.020 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000246194239 672832406 /nfs/dbraw/zinc/83/24/06/672832406.db2.gz TXYRRZSQZXFHMA-STQMWFEESA-N 0 3 371.434 2.290 10 0 FEAEHN CN(CC1CC1)C(=O)CN1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248591457 672858567 /nfs/dbraw/zinc/85/85/67/672858567.db2.gz LDLRYWLQNUKYHL-XHSDSOJGSA-N 0 3 351.491 2.090 10 0 FEAEHN C[C@H](O)CN1CCN(C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000248660068 672860364 /nfs/dbraw/zinc/86/03/64/672860364.db2.gz DBGBDLLCMHHTOA-BXWFABGCSA-N 0 3 355.523 2.020 10 0 FEAEHN C[C@H](O)CN1CCC(CN(C)S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000255636380 672894648 /nfs/dbraw/zinc/89/46/48/672894648.db2.gz CACIVFNWXOWHNS-DDKJEQMHSA-N 0 3 352.500 2.012 10 0 FEAEHN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNCc2cc(F)c(F)cc2F)C1 ZINC000705675461 673062467 /nfs/dbraw/zinc/06/24/67/673062467.db2.gz QRQMSTQPRXNAOD-XHDPSFHLSA-N 0 3 360.376 2.421 10 0 FEAEHN CC(C)NC(=O)c1cn(CC[C@@H]2CCCCN2Cc2ccccn2)nn1 ZINC000011881891 539538676 /nfs/dbraw/zinc/53/86/76/539538676.db2.gz PIHIOLUDLLGWAM-KRWDZBQOSA-N 0 3 356.474 2.256 10 0 FEAEHN Cc1cc(CNCc2ccc(OC[C@@H](O)CN3CCCCC3)cc2)nn1C ZINC000012454071 539561093 /nfs/dbraw/zinc/56/10/93/539561093.db2.gz BFXIDJLNIQNINO-FQEVSTJZSA-N 0 3 372.513 2.244 10 0 FEAEHN CN(C)C[C@@H](NC(=O)NC[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC000045185466 540206058 /nfs/dbraw/zinc/20/60/58/540206058.db2.gz GYIJHOXBWGXLHW-GDBMZVCRSA-N 0 3 372.435 2.473 10 0 FEAEHN Cc1ccc(SCCNC(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000049174999 540384317 /nfs/dbraw/zinc/38/43/17/540384317.db2.gz KXNRTBGYDWUALW-MRXNPFEDSA-N 0 3 351.516 2.233 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NCc2ccnc(OCC(F)(F)F)c2)C1 ZINC000052523727 540470443 /nfs/dbraw/zinc/47/04/43/540470443.db2.gz JFZYAXACRRHQOV-CYBMUJFWSA-N 0 3 360.380 2.306 10 0 FEAEHN CCOc1ccccc1C(=O)NCC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000052554948 540472927 /nfs/dbraw/zinc/47/29/27/540472927.db2.gz YQWJCTNFUMLVLH-GOSISDBHSA-N 0 3 369.465 2.234 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC(c3nnc4ccccn43)CC2)C1 ZINC000057870622 540820216 /nfs/dbraw/zinc/82/02/16/540820216.db2.gz ZCPHEMRTJJUVFT-MRXNPFEDSA-N 0 3 356.474 2.103 10 0 FEAEHN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCCN(C)Cc1ccccc1 ZINC000073820949 542003908 /nfs/dbraw/zinc/00/39/08/542003908.db2.gz YQAGTIMJWJJXEM-GOSISDBHSA-N 0 3 360.502 2.161 10 0 FEAEHN CC(C)c1nc(CS(=O)(=O)C(C)C(=O)N[C@@H](C)c2ccccc2)no1 ZINC000098151813 543024127 /nfs/dbraw/zinc/02/41/27/543024127.db2.gz QDAJLYBECWZVTN-STQMWFEESA-N 0 3 365.455 2.374 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCCNC(=O)CC1CCCCC1 ZINC000101793747 543045950 /nfs/dbraw/zinc/04/59/50/543045950.db2.gz WRPONDCGSVNEOC-QGZVFWFLSA-N 0 3 354.539 2.349 10 0 FEAEHN CCn1cnnc1[C@H]1CCCN(CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000103477489 543110479 /nfs/dbraw/zinc/11/04/79/543110479.db2.gz PKIBWLFJMAZLBH-HNNXBMFYSA-N 0 3 367.453 2.164 10 0 FEAEHN CCC(CC)[C@H](CNC(=O)N1CCN2CCCC[C@@H]2C1)N1CCOCC1 ZINC000105104755 543159264 /nfs/dbraw/zinc/15/92/64/543159264.db2.gz LVZNQCHNEFADQK-MOPGFXCFSA-N 0 3 366.550 2.003 10 0 FEAEHN Cc1ccc(N2CCCN(C[C@@H](O)COc3c(C)cccc3C)CC2)nn1 ZINC000106072456 543190213 /nfs/dbraw/zinc/19/02/13/543190213.db2.gz MHXVGSGOZYQKFP-LJQANCHMSA-N 0 3 370.497 2.354 10 0 FEAEHN Cc1cccc2nc(CN(C)C3CCN(CCn4cccn4)CC3)cn21 ZINC000106128568 543205915 /nfs/dbraw/zinc/20/59/15/543205915.db2.gz HCULTSZGWQOICC-UHFFFAOYSA-N 0 3 352.486 2.436 10 0 FEAEHN CC[C@H]1CN(C[C@H](O)COc2c(C)cccc2C)CCN1CCOC ZINC000106114448 543201589 /nfs/dbraw/zinc/20/15/89/543201589.db2.gz UJLNGYULZJGNDT-OALUTQOASA-N 0 3 350.503 2.086 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2)CCN1CCOC ZINC000106114441 543201756 /nfs/dbraw/zinc/20/17/56/543201756.db2.gz UUISJIBIOXHSNH-SJORKVTESA-N 0 3 356.894 2.122 10 0 FEAEHN CCOCCN1CCN(CCC(=O)Nc2ccc(OC)cc2)C[C@H]1CC ZINC000106116687 543202528 /nfs/dbraw/zinc/20/25/28/543202528.db2.gz XQFNVKNEECCFIB-GOSISDBHSA-N 0 3 363.502 2.457 10 0 FEAEHN CC[C@H](O)CN1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 ZINC000106395260 543227800 /nfs/dbraw/zinc/22/78/00/543227800.db2.gz POBHLPNYFQFEIR-ZDUSSCGKSA-N 0 3 362.861 2.259 10 0 FEAEHN Cc1ccc(CNC(=O)C(C)S(=O)(=O)Cc2nccn2C(C)C)cc1 ZINC000107075824 543261034 /nfs/dbraw/zinc/26/10/34/543261034.db2.gz YIQNASNGBARZNB-HNNXBMFYSA-N 0 3 363.483 2.392 10 0 FEAEHN COC(=O)[C@@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000110275733 543354291 /nfs/dbraw/zinc/35/42/91/543354291.db2.gz SGUMKAVKEJXCPL-GOSISDBHSA-N 0 3 373.497 2.000 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)Nc1cccc(SC)c1)CC2 ZINC000112551136 543451443 /nfs/dbraw/zinc/45/14/43/543451443.db2.gz AFUWFWBAVLZRHN-JSGCOSHPSA-N 0 3 359.499 2.494 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@H](C)C(=O)NCc1ccccc1F)CC2 ZINC000113442640 543488140 /nfs/dbraw/zinc/48/81/40/543488140.db2.gz NKWFECQASFAYNF-UKRRQHHQSA-N 0 3 359.449 2.150 10 0 FEAEHN COc1ccc(-c2noc(CN3C[C@H]4CCCN4C[C@@H]3C)n2)c(OC)c1 ZINC000113518300 543490168 /nfs/dbraw/zinc/49/01/68/543490168.db2.gz FCDOCMSRLZKNRD-UONOGXRCSA-N 0 3 358.442 2.422 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)nc1 ZINC000114415597 543514404 /nfs/dbraw/zinc/51/44/04/543514404.db2.gz ZUSDZROIDPDIFY-UHFFFAOYSA-N 0 3 360.408 2.384 10 0 FEAEHN Cc1ccc(CC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)s1 ZINC000114414585 543514746 /nfs/dbraw/zinc/51/47/46/543514746.db2.gz HHIFGZWPOYNOQY-UHFFFAOYSA-N 0 3 358.511 2.404 10 0 FEAEHN C[C@@H]1CN(C[C@@H]2CCCN2C[C@@H](O)COCc2ccccc2)C[C@@H](C)O1 ZINC000114562623 543523903 /nfs/dbraw/zinc/52/39/03/543523903.db2.gz UHIDQBFNATWYTE-RMVXJAJNSA-N 0 3 362.514 2.138 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NCCOc2cccc(C(C)(C)C)c2)CCO1 ZINC000117050874 543622281 /nfs/dbraw/zinc/62/22/81/543622281.db2.gz MXFFWQDGMIMJKS-SFHVURJKSA-N 0 3 363.502 2.335 10 0 FEAEHN Cc1nc(NC(=O)NC[C@@H](O)CN2CCCCC2)ccc1Br ZINC000128753861 544070982 /nfs/dbraw/zinc/07/09/82/544070982.db2.gz FSRGWDFCHUJGCQ-GFCCVEGCSA-N 0 3 371.279 2.121 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(OCCF)c1 ZINC000129269518 544102296 /nfs/dbraw/zinc/10/22/96/544102296.db2.gz FJFWWIYANVOKSP-MRXNPFEDSA-N 0 3 365.449 2.210 10 0 FEAEHN CC(=O)Nc1ccc(C)c(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)c1 ZINC000129582408 544119128 /nfs/dbraw/zinc/11/91/28/544119128.db2.gz IMTGEHRAVYVFDM-QGZVFWFLSA-N 0 3 374.485 2.129 10 0 FEAEHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)C1 ZINC000247496530 549345260 /nfs/dbraw/zinc/34/52/60/549345260.db2.gz XGQVGSJSIKYBDW-FJIDUMEYSA-N 0 3 366.550 2.442 10 0 FEAEHN CCC[C@H](C(=O)N(C)C[C@H](c1cccs1)N1CCOCC1)N(C)C ZINC000130973015 544172799 /nfs/dbraw/zinc/17/27/99/544172799.db2.gz DLWOWQAOSYYFLS-HZPDHXFCSA-N 0 3 353.532 2.310 10 0 FEAEHN CC(C)[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1)C(N)=O ZINC000134905139 544326502 /nfs/dbraw/zinc/32/65/02/544326502.db2.gz ZEQRJUGBCQFWSL-ROUUACIJSA-N 0 3 360.502 2.269 10 0 FEAEHN CCOc1ccc(NC(=O)CCN2CCN(C[C@@H](C)O)[C@H](CC)C2)cc1 ZINC000137128539 544384790 /nfs/dbraw/zinc/38/47/90/544384790.db2.gz GYUALVUHGDDGMJ-SJLPKXTDSA-N 0 3 363.502 2.191 10 0 FEAEHN CC(C)(N)c1cc2nc(-c3ccc(N)nc3)nc(N3CCOCC3)c2s1 ZINC000139166727 544400795 /nfs/dbraw/zinc/40/07/95/544400795.db2.gz DRBAZGBTLAQCOF-UHFFFAOYSA-N 0 3 370.482 2.366 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccccc2Br)C1 ZINC000150775356 544469091 /nfs/dbraw/zinc/46/90/91/544469091.db2.gz NOLKYJYGCSKDSL-RISCZKNCSA-N 0 3 368.275 2.233 10 0 FEAEHN COc1ccc2cc(NC(=O)C(=O)N[C@H]3CN(C(C)C)C[C@H]3C)ccc2n1 ZINC000150781114 544470843 /nfs/dbraw/zinc/47/08/43/544470843.db2.gz ZHDSPIWXYQTVAB-DYVFJYSZSA-N 0 3 370.453 2.027 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccccc2OC(F)F)C1 ZINC000150791948 544472997 /nfs/dbraw/zinc/47/29/97/544472997.db2.gz CRYVQXCOYHEBSC-YPMHNXCESA-N 0 3 355.385 2.071 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000247523657 549350195 /nfs/dbraw/zinc/35/01/95/549350195.db2.gz WYGPHFBUPFDXRT-UIXUWTQFSA-N 0 3 355.482 2.291 10 0 FEAEHN O=C1c2ccccc2C(=O)N1CCCN1CC[C@H](Oc2cccnc2)C1 ZINC000152327038 544640202 /nfs/dbraw/zinc/64/02/02/544640202.db2.gz JPCYEHGXNLFDNQ-INIZCTEOSA-N 0 3 351.406 2.221 10 0 FEAEHN CCN(CC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1)C1CC1 ZINC000153174396 544742319 /nfs/dbraw/zinc/74/23/19/544742319.db2.gz NGYVCNFGDUAEHJ-FQEVSTJZSA-N 0 3 359.514 2.033 10 0 FEAEHN C[C@H](CNC(=O)N1CCC(Nc2cccnn2)CC1)N1CCC(C)CC1 ZINC000154220602 544877513 /nfs/dbraw/zinc/87/75/13/544877513.db2.gz UQAYJJLTUYATAL-MRXNPFEDSA-N 0 3 360.506 2.183 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000154589297 544925613 /nfs/dbraw/zinc/92/56/13/544925613.db2.gz YCBANVIDIVANHF-XJKSGUPXSA-N 0 3 356.426 2.412 10 0 FEAEHN CCC[C@@H](C(=O)NCCCCN1CCN(c2ccccc2)CC1)N(C)C ZINC000179547148 327649216 /nfs/dbraw/zinc/64/92/16/327649216.db2.gz LTPHYRCFJHZQCN-FQEVSTJZSA-N 0 3 360.546 2.435 10 0 FEAEHN CCO[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)CC(C)C)C12CCOCC2 ZINC000185679167 327927473 /nfs/dbraw/zinc/92/74/73/327927473.db2.gz NYMSZXFNSXZWAW-IAGOWNOFSA-N 0 3 355.523 2.190 10 0 FEAEHN CCN(CCO)CCNC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000187118664 328003174 /nfs/dbraw/zinc/00/31/74/328003174.db2.gz RKSQRMNKGLXVCO-GFCCVEGCSA-N 0 3 358.280 2.124 10 0 FEAEHN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000187479408 328028692 /nfs/dbraw/zinc/02/86/92/328028692.db2.gz XLAKVNRUZWYVKA-ROUUACIJSA-N 0 3 360.502 2.063 10 0 FEAEHN Cc1ccc2c(CCNC(=O)NC[C@@H](O)CN3CCCCC3)cn(C)c2c1 ZINC000187769583 328045000 /nfs/dbraw/zinc/04/50/00/328045000.db2.gz FTINPTAFQPPEOF-GOSISDBHSA-N 0 3 372.513 2.175 10 0 FEAEHN Cc1cc(C)c(N2CC[C@H](NC(=O)N3CC[C@@H](N(C)C)C3)C2=O)c(C)c1 ZINC000188520075 328092240 /nfs/dbraw/zinc/09/22/40/328092240.db2.gz JUEKNUJSAZOGHL-SJORKVTESA-N 0 3 358.486 2.063 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(OC)cc1OCCOC ZINC000188537992 328093582 /nfs/dbraw/zinc/09/35/82/328093582.db2.gz YISYBXDXNDBEHP-OAHLLOKOSA-N 0 3 350.459 2.277 10 0 FEAEHN COC(=O)[C@@](C)(CNC(=O)N[C@H](CC(C)C)CN(C)C)c1ccccc1 ZINC000189729581 328164656 /nfs/dbraw/zinc/16/46/56/328164656.db2.gz ZVCWJEBOKIGAHH-XLIONFOSSA-N 0 3 363.502 2.393 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000189760560 328166473 /nfs/dbraw/zinc/16/64/73/328166473.db2.gz FMRVJEXMOIESLX-GOSISDBHSA-N 0 3 366.527 2.204 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(COCC2CC2)c1 ZINC000190092801 328187519 /nfs/dbraw/zinc/18/75/19/328187519.db2.gz VVPRNBPIHJWOBO-DNVCBOLYSA-N 0 3 371.481 2.247 10 0 FEAEHN Cc1cc(C)nc(-n2nccc2NC(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)n1 ZINC000190362324 328203050 /nfs/dbraw/zinc/20/30/50/328203050.db2.gz OBADENKBALFZHV-SWLSCSKDSA-N 0 3 357.462 2.129 10 0 FEAEHN CCc1ncc(NC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)cn1 ZINC000190508003 328212613 /nfs/dbraw/zinc/21/26/13/328212613.db2.gz SAMADEFGMUDSMV-INIZCTEOSA-N 0 3 354.458 2.420 10 0 FEAEHN COc1ncccc1C(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000190553974 328215791 /nfs/dbraw/zinc/21/57/91/328215791.db2.gz UBZIXFCCLMFPBI-AWEZNQCLSA-N 0 3 360.483 2.449 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NCCc2cccc(O)c2)C1 ZINC000190705635 328226155 /nfs/dbraw/zinc/22/61/55/328226155.db2.gz LDPNUVFOASLMRN-IBGZPJMESA-N 0 3 368.481 2.493 10 0 FEAEHN COc1ncccc1CNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190690901 328224999 /nfs/dbraw/zinc/22/49/99/328224999.db2.gz LOVPWQBWLBNSNY-QGZVFWFLSA-N 0 3 369.469 2.149 10 0 FEAEHN Cc1csc(C(=O)N2CC[C@H](N(C)C)C2)c1I ZINC000191038851 328246869 /nfs/dbraw/zinc/24/68/69/328246869.db2.gz AOHROTHQLBPTMO-VIFPVBQESA-N 0 3 364.252 2.437 10 0 FEAEHN CCOC(=O)C1CCC(O)(CN2CCN(Cc3ccccc3)CC2)CC1 ZINC000191441085 328265930 /nfs/dbraw/zinc/26/59/30/328265930.db2.gz NBWGUVFEWTYPCH-UHFFFAOYSA-N 0 3 360.498 2.289 10 0 FEAEHN CCN(CC(=O)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000191589696 328272942 /nfs/dbraw/zinc/27/29/42/328272942.db2.gz ICNNJNKHRPJBPW-MRXNPFEDSA-N 0 3 367.534 2.125 10 0 FEAEHN Cc1c(Br)cccc1CC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000191871180 328285978 /nfs/dbraw/zinc/28/59/78/328285978.db2.gz FEJNKFJSAUXYGI-CQSZACIVSA-N 0 3 355.276 2.089 10 0 FEAEHN O=C1[C@@H](N2CCN3CCC[C@@H]3C2)CCN1c1cccc(Br)c1 ZINC000192073029 328298316 /nfs/dbraw/zinc/29/83/16/328298316.db2.gz PMWXFFVDQQUMHO-CVEARBPZSA-N 0 3 364.287 2.334 10 0 FEAEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)c1c[nH]c(=S)[nH]1 ZINC000193111889 328358135 /nfs/dbraw/zinc/35/81/35/328358135.db2.gz XSAKXDXFKQWDLW-QGZVFWFLSA-N 0 3 374.510 2.216 10 0 FEAEHN CCCCOC[C@@H](O)CN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000193376356 328371639 /nfs/dbraw/zinc/37/16/39/328371639.db2.gz KKVVSVNJESTNGT-IRXDYDNUSA-N 0 3 350.507 2.362 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Cl)c(OC)c1 ZINC000193415374 328373957 /nfs/dbraw/zinc/37/39/57/328373957.db2.gz OQWUVYFUECNVGR-UONOGXRCSA-N 0 3 365.861 2.372 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000237036452 328502160 /nfs/dbraw/zinc/50/21/60/328502160.db2.gz LOHNGRQFIBEKGR-NJZAAPMLSA-N 0 3 362.392 2.277 10 0 FEAEHN COc1ccc(C(=O)N[C@H](C(=O)NC[C@@H](N)c2ccccc2)C(C)C)cc1 ZINC000237144400 328506447 /nfs/dbraw/zinc/50/64/47/328506447.db2.gz WUNRIYYBYFJRIY-MOPGFXCFSA-N 0 3 369.465 2.266 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000077730731 325009396 /nfs/dbraw/zinc/00/93/96/325009396.db2.gz KXZSCHFMGCILCG-QGZVFWFLSA-N 0 3 352.523 2.007 10 0 FEAEHN COCCOc1cccc(CN[C@H]2CCCN(c3cc(C)nn3C)C2=O)c1 ZINC000080527000 325134905 /nfs/dbraw/zinc/13/49/05/325134905.db2.gz DIOZXHVXKVRIID-SFHVURJKSA-N 0 3 372.469 2.039 10 0 FEAEHN CCn1ccnc1CS(=O)(=O)C(C)C(=O)N(C)Cc1ccccc1C ZINC000083066800 325212789 /nfs/dbraw/zinc/21/27/89/325212789.db2.gz SAOQJPFZJRDKQF-HNNXBMFYSA-N 0 3 363.483 2.173 10 0 FEAEHN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCN(C)Cc1ccccc1 ZINC000087061801 325272627 /nfs/dbraw/zinc/27/26/27/325272627.db2.gz AOLIMODWZQEWGS-INIZCTEOSA-N 0 3 356.474 2.107 10 0 FEAEHN Cc1cccc(OC[C@H](O)CNC(=O)N[C@H](CC(C)C)CN(C)C)c1 ZINC000098118103 325467551 /nfs/dbraw/zinc/46/75/51/325467551.db2.gz CQYWFPWHEUGSAK-IAGOWNOFSA-N 0 3 351.491 2.010 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)CCc3ccsc3)CC2)nc1 ZINC000114414468 325891106 /nfs/dbraw/zinc/89/11/06/325891106.db2.gz XSEYEZILWAEQMH-UHFFFAOYSA-N 0 3 358.511 2.486 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2cc3ccc(Br)cc3[nH]2)CCO1 ZINC000116784690 326035325 /nfs/dbraw/zinc/03/53/25/326035325.db2.gz FDMDPQMVFLHQKA-CYBMUJFWSA-N 0 3 366.259 2.333 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)CCc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000116790852 326035543 /nfs/dbraw/zinc/03/55/43/326035543.db2.gz IMMNDLCBISRQLQ-OAHLLOKOSA-N 0 3 360.376 2.307 10 0 FEAEHN Cc1c(C(=O)N2CCO[C@@H](CN(C)C)C2)cnn1-c1ccccc1Cl ZINC000116794988 326036882 /nfs/dbraw/zinc/03/68/82/326036882.db2.gz TURAMSDKFMXQIE-AWEZNQCLSA-N 0 3 362.861 2.237 10 0 FEAEHN C[C@H](NC(=O)N1CCO[C@H](CN(C)C)C1)c1cccc(OC(F)F)c1 ZINC000117032419 326048415 /nfs/dbraw/zinc/04/84/15/326048415.db2.gz IAVSWKACLOPIGH-SWLSCSKDSA-N 0 3 357.401 2.321 10 0 FEAEHN CC[C@@H]1CN(C(=O)[C@@H](C)N2CCc3ccccc3C2)CCN1CCOC ZINC000117426102 326060739 /nfs/dbraw/zinc/06/07/39/326060739.db2.gz GICAFIRVSXCUQW-YLJYHZDGSA-N 0 3 359.514 2.002 10 0 FEAEHN Cc1cnn(CCNC(=O)NCC2CCN(Cc3cccs3)CC2)c1 ZINC000118067724 326078527 /nfs/dbraw/zinc/07/85/27/326078527.db2.gz SKYMJGXTZLPRDZ-UHFFFAOYSA-N 0 3 361.515 2.464 10 0 FEAEHN Cc1cc(Cl)c(NC(=O)C(=O)N2CCO[C@H](CN(C)C)C2)cc1Cl ZINC000119256977 326142217 /nfs/dbraw/zinc/14/22/17/326142217.db2.gz AOMLDCFJHNMUHI-LLVKDONJSA-N 0 3 374.268 2.029 10 0 FEAEHN CC(C)CCS(=O)(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000119502263 326169572 /nfs/dbraw/zinc/16/95/72/326169572.db2.gz XTBZDKJGNLOVRC-LJQANCHMSA-N 0 3 368.543 2.398 10 0 FEAEHN O=C(Cc1cccc(F)c1F)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000119671042 326186289 /nfs/dbraw/zinc/18/62/89/326186289.db2.gz BBLGYZFHXVALGA-KRWDZBQOSA-N 0 3 360.404 2.043 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)[C@@H](C)C1 ZINC000120385822 326254694 /nfs/dbraw/zinc/25/46/94/326254694.db2.gz JZAZMYCOGWYJLO-YJBOKZPZSA-N 0 3 374.485 2.009 10 0 FEAEHN COc1ccc(Br)c(CN2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000120608893 326272797 /nfs/dbraw/zinc/27/27/97/326272797.db2.gz VJENLTQXCAERAH-CHWSQXEVSA-N 0 3 357.292 2.345 10 0 FEAEHN Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000121132440 326315838 /nfs/dbraw/zinc/31/58/38/326315838.db2.gz RLBUZZZUQASJDO-MRXNPFEDSA-N 0 3 362.518 2.400 10 0 FEAEHN Cc1ccc(NC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)nc1 ZINC000122168519 326386429 /nfs/dbraw/zinc/38/64/29/326386429.db2.gz YPUAJGQJKXLLGN-UHFFFAOYSA-N 0 3 354.458 2.201 10 0 FEAEHN CCOC(=O)C[C@@H](NC(=O)C[C@@H]1CSCCN1)c1ccccc1C ZINC000133288987 326606125 /nfs/dbraw/zinc/60/61/25/326606125.db2.gz XWYAZJMIKWSQOZ-GDBMZVCRSA-N 0 3 350.484 2.201 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccc(F)c(I)c2)C1 ZINC000152149264 326700097 /nfs/dbraw/zinc/70/00/97/326700097.db2.gz GCQCBFZXOJTLQQ-SNVBAGLBSA-N 0 3 362.186 2.206 10 0 FEAEHN Cc1cccc([C@@H](NC(=O)N2CCO[C@H](CN(C)C)C2)c2ccccn2)c1 ZINC000153082420 326723380 /nfs/dbraw/zinc/72/33/80/326723380.db2.gz WUAZQGLVJURNAS-UYAOXDASSA-N 0 3 368.481 2.451 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000153460866 326733518 /nfs/dbraw/zinc/73/35/18/326733518.db2.gz BFODCNJLZXEQQD-MRXNPFEDSA-N 0 3 358.442 2.373 10 0 FEAEHN Cc1cccc(OC[C@@H](O)CN2CCC(N(C)c3cccnn3)CC2)c1 ZINC000155059033 326776446 /nfs/dbraw/zinc/77/64/46/326776446.db2.gz FQZCMDRARVKWEA-SFHVURJKSA-N 0 3 356.470 2.126 10 0 FEAEHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c3ccccc32)CCO1 ZINC000155180172 326780395 /nfs/dbraw/zinc/78/03/95/326780395.db2.gz FWHUGHAUCXICMB-CYBMUJFWSA-N 0 3 368.886 2.444 10 0 FEAEHN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCO[C@H](CN(C)C)C1 ZINC000157818353 326876380 /nfs/dbraw/zinc/87/63/80/326876380.db2.gz VQILUJDQZFOQKN-WMLDXEAASA-N 0 3 353.894 2.122 10 0 FEAEHN CCC[C@H](C(=O)NCCCN1CCN(Cc2ccccc2)CC1)N(C)C ZINC000161530418 327002054 /nfs/dbraw/zinc/00/20/54/327002054.db2.gz ARFLLSWNBIPLSK-HXUWFJFHSA-N 0 3 360.546 2.041 10 0 FEAEHN COCCN1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C[C@H]1C ZINC000163758988 327058044 /nfs/dbraw/zinc/05/80/44/327058044.db2.gz CKAVPNIGSQLSAR-LJQANCHMSA-N 0 3 373.541 2.468 10 0 FEAEHN C[C@@H]1CN(Cc2ccc(CNC(=O)N3CC[C@H](N(C)C)C3)cc2)C[C@@H](C)O1 ZINC000170828764 327100964 /nfs/dbraw/zinc/10/09/64/327100964.db2.gz CEXMRVQVWBLRMD-HLIPFELVSA-N 0 3 374.529 2.141 10 0 FEAEHN CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)c(C(F)(F)F)c1 ZINC000170843170 327102193 /nfs/dbraw/zinc/10/21/93/327102193.db2.gz XKSPNXWOSUNYEG-LLVKDONJSA-N 0 3 373.375 2.205 10 0 FEAEHN CCCOc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170844218 327102344 /nfs/dbraw/zinc/10/23/44/327102344.db2.gz XXNVOLWYQSVMTH-CYBMUJFWSA-N 0 3 353.850 2.230 10 0 FEAEHN Cc1cccc(C(=O)N2CC[C@H](N(C)C)C2)c1NC(=O)c1ccncc1 ZINC000170855378 327102654 /nfs/dbraw/zinc/10/26/54/327102654.db2.gz WEXAXXJXLGWPEC-INIZCTEOSA-N 0 3 352.438 2.418 10 0 FEAEHN CCN1CCc2nc3ccccc3c(C(=O)N3CC[C@H](N(C)C)C3)c2C1 ZINC000170856401 327102894 /nfs/dbraw/zinc/10/28/94/327102894.db2.gz XIIDLDUQTSODGW-HNNXBMFYSA-N 0 3 352.482 2.389 10 0 FEAEHN COc1cccc([C@H](CNC(=O)N2CC[C@H](N(C)C)C2)N2CCCC2)c1 ZINC000170863275 327103568 /nfs/dbraw/zinc/10/35/68/327103568.db2.gz OJJZZZTWZBPQKI-HKUYNNGSSA-N 0 3 360.502 2.178 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)C1 ZINC000170865918 327103952 /nfs/dbraw/zinc/10/39/52/327103952.db2.gz VAQGVHGJKDIXMM-INIZCTEOSA-N 0 3 357.479 2.454 10 0 FEAEHN O=C(CCCOc1ccc2c(c1)CCC(=O)N2)N1CCN2CCC[C@H]2C1 ZINC000170948961 327109545 /nfs/dbraw/zinc/10/95/45/327109545.db2.gz UJNQOASXBRKGJX-INIZCTEOSA-N 0 3 357.454 2.037 10 0 FEAEHN COc1ccc2cc(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)ccc2n1 ZINC000171346124 327133501 /nfs/dbraw/zinc/13/35/01/327133501.db2.gz UPVLWHUGMVQVSW-MRXNPFEDSA-N 0 3 372.469 2.274 10 0 FEAEHN CN(C)CCOc1ccc(CNC(=O)N2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000171461048 327140997 /nfs/dbraw/zinc/14/09/97/327140997.db2.gz VLCRNPXMADOOQJ-IBGZPJMESA-N 0 3 371.485 2.407 10 0 FEAEHN CC(C)n1ccnc1CS(=O)(=O)C(C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000171675154 327154155 /nfs/dbraw/zinc/15/41/55/327154155.db2.gz VODNHCSVHAOXOU-RBSFLKMASA-N 0 3 355.504 2.272 10 0 FEAEHN C[C@H](NC(=O)N(C)C1CCN(CCn2cccn2)CC1)c1ccccn1 ZINC000171757565 327159624 /nfs/dbraw/zinc/15/96/24/327159624.db2.gz YGQITHLTMYVYRU-INIZCTEOSA-N 0 3 356.474 2.145 10 0 FEAEHN CN1C(=O)CC[C@H](C(=O)NC2CCN(C3CC3)CC2)[C@H]1c1ccccc1 ZINC000171794079 327161821 /nfs/dbraw/zinc/16/18/21/327161821.db2.gz AUZQZFNXPAJFIE-AZUAARDMSA-N 0 3 355.482 2.339 10 0 FEAEHN COc1cccc([C@@H](CNC(=O)N2CCN3CCC[C@@H]3C2)N2CCCC2)c1 ZINC000171898170 327168246 /nfs/dbraw/zinc/16/82/46/327168246.db2.gz KYFHTPQNVBEEEH-UYAOXDASSA-N 0 3 372.513 2.322 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000172059032 327178376 /nfs/dbraw/zinc/17/83/76/327178376.db2.gz WYGPHFBUPFDXRT-DLVXIWMQSA-N 0 3 355.482 2.291 10 0 FEAEHN COCCCN(C)C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000173501742 327261992 /nfs/dbraw/zinc/26/19/92/327261992.db2.gz NDAUSXAARKYDTO-LJQANCHMSA-N 0 3 363.502 2.110 10 0 FEAEHN CN(C)C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CCN2C)c1ccccc1 ZINC000173723350 327279205 /nfs/dbraw/zinc/27/92/05/327279205.db2.gz IWZVBWTWFLHMRR-GOSISDBHSA-N 0 3 366.465 2.498 10 0 FEAEHN C[C@H](Oc1cccc(Br)c1)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000173792637 327284470 /nfs/dbraw/zinc/28/44/70/327284470.db2.gz RJOXKBKQSODJHG-SWLSCSKDSA-N 0 3 371.275 2.005 10 0 FEAEHN O[C@@H](COCc1ccc(Cl)cc1)CN1CCN(C2CCOCC2)CC1 ZINC000175472056 327394695 /nfs/dbraw/zinc/39/46/95/327394695.db2.gz PXRJRXZJDFPUPX-LJQANCHMSA-N 0 3 368.905 2.014 10 0 FEAEHN CCO[C@@H](CCNC(=O)NC[C@H](O)CN1CCCCC1)C1CCCC1 ZINC000176508890 327460190 /nfs/dbraw/zinc/46/01/90/327460190.db2.gz USLMENUHTWBXSO-ROUUACIJSA-N 0 3 355.523 2.118 10 0 FEAEHN COc1cccc([C@H](CNC(=O)N2CCC[C@@H]2Cn2ccnc2)N(C)C)c1 ZINC000177353978 327516140 /nfs/dbraw/zinc/51/61/40/327516140.db2.gz QAXOMTLEWLZLNZ-MJGOQNOKSA-N 0 3 371.485 2.369 10 0 FEAEHN CCC[C@H](C(=O)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1)N(C)C ZINC000248593537 328728135 /nfs/dbraw/zinc/72/81/35/328728135.db2.gz LRDFKAQJWVILRZ-YHUYYLMFSA-N 0 3 353.507 2.478 10 0 FEAEHN CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)[C@@H](N)C1CCOCC1)O[C@H](C)C2 ZINC000261618449 328805843 /nfs/dbraw/zinc/80/58/43/328805843.db2.gz BYHGIXPCIBPLAZ-ZMQFRBSTSA-N 0 3 374.481 2.135 10 0 FEAEHN C[C@@H](C1CC1)n1[n-]cc/c1=N\C(=O)CN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000262116287 328843479 /nfs/dbraw/zinc/84/34/79/328843479.db2.gz BLNXVWHPJYBRLA-MPVAINHISA-N 0 3 371.460 2.000 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2c(F)cc(Br)cc2F)n1 ZINC000263308857 328931936 /nfs/dbraw/zinc/93/19/36/328931936.db2.gz YHOLIVASORSVJC-SNVBAGLBSA-N 0 3 359.174 2.353 10 0 FEAEHN Cc1nc2c(c(N(C)C3CCN(CCn4cccn4)CC3)n1)CCCC2 ZINC000272865838 329819165 /nfs/dbraw/zinc/81/91/65/329819165.db2.gz MYCOLBCCYRUVTR-UHFFFAOYSA-N 0 3 354.502 2.461 10 0 FEAEHN CNC(=O)[C@H](NC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1)C(C)C ZINC000178430375 517962454 /nfs/dbraw/zinc/96/24/54/517962454.db2.gz QNOLXNMLXJBGAP-QZTJIDSGSA-N 0 3 360.502 2.202 10 0 FEAEHN CC(C)CCn1cccc1CN[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000328625883 534990617 /nfs/dbraw/zinc/99/06/17/534990617.db2.gz DPVHXPJCMYYHGC-KRWDZBQOSA-N 0 3 357.502 2.387 10 0 FEAEHN CCn1cnnc1C1CCN(C[C@H](O)COCc2ccccc2F)CC1 ZINC000155401645 545522500 /nfs/dbraw/zinc/52/25/00/545522500.db2.gz MLSOUHDLEPDWGY-KRWDZBQOSA-N 0 3 362.449 2.194 10 0 FEAEHN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000158837053 545898931 /nfs/dbraw/zinc/89/89/31/545898931.db2.gz OFAWGKDJEBUGAM-YTQUADARSA-N 0 3 357.498 2.331 10 0 FEAEHN OC[C@@H]1CCCN(c2cc(NCCc3nc4ccc(F)cc4[nH]3)ncn2)C1 ZINC000158991600 545913027 /nfs/dbraw/zinc/91/30/27/545913027.db2.gz CIUNFLPCPFFESZ-CYBMUJFWSA-N 0 3 370.432 2.355 10 0 FEAEHN C[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(-n2cnnn2)cc1 ZINC000159086642 545920607 /nfs/dbraw/zinc/92/06/07/545920607.db2.gz KATXAALSIGWSNE-ZIAGYGMSSA-N 0 3 371.466 2.478 10 0 FEAEHN Cc1noc(C)c1[C@@H](C)CC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000159323294 545943241 /nfs/dbraw/zinc/94/32/41/545943241.db2.gz AXZVPGBVCPDECO-LIRRHRJNSA-N 0 3 371.481 2.320 10 0 FEAEHN Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000170856520 546179591 /nfs/dbraw/zinc/17/95/91/546179591.db2.gz ILPPMKMJWIEYFX-OALUTQOASA-N 0 3 374.529 2.371 10 0 FEAEHN C[C@@H]1CN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)C[C@@H]1N1CCOCC1 ZINC000175588116 546315854 /nfs/dbraw/zinc/31/58/54/546315854.db2.gz ROJXYANVYUNTDR-QTPAZIJBSA-N 0 3 374.525 2.094 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(C)c2ncccc12 ZINC000176892762 546501751 /nfs/dbraw/zinc/50/17/51/546501751.db2.gz UFFPMSRNLWKRQU-OAHLLOKOSA-N 0 3 354.454 2.424 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000176892913 546501899 /nfs/dbraw/zinc/50/18/99/546501899.db2.gz BSXQTRVQSGNPOZ-KRWDZBQOSA-N 0 3 374.485 2.162 10 0 FEAEHN CCn1ccnc1CS(=O)(=O)C(C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000176908593 546505857 /nfs/dbraw/zinc/50/58/57/546505857.db2.gz XFXHXCUXNHIFDC-CABCVRRESA-N 0 3 363.483 2.126 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)COc1cccc(N2CCCC2=O)c1 ZINC000176998770 546520544 /nfs/dbraw/zinc/52/05/44/546520544.db2.gz XSGHMVDZURAGCK-QGZVFWFLSA-N 0 3 359.470 2.135 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(Br)cnc1N(C)C ZINC000177014823 546524268 /nfs/dbraw/zinc/52/42/68/546524268.db2.gz CFWHHLCOERBRRJ-CYBMUJFWSA-N 0 3 369.307 2.466 10 0 FEAEHN Cc1coc(-c2ccc(C)c(NC(=O)C(=O)N3CCN4CCC[C@@H]4C3)c2)n1 ZINC000177248465 546579327 /nfs/dbraw/zinc/57/93/27/546579327.db2.gz GASSMZRCIHLHJR-MRXNPFEDSA-N 0 3 368.437 2.204 10 0 FEAEHN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3cccc(CN(C)C)c3)C2)c1 ZINC000177668997 546664034 /nfs/dbraw/zinc/66/40/34/546664034.db2.gz NMWFRKNCKVXWOB-GOSISDBHSA-N 0 3 369.469 2.055 10 0 FEAEHN CCCn1ccc2cc(NC(=O)C(=O)N3CCN4CCC[C@@H]4C3)ccc21 ZINC000177689114 546667367 /nfs/dbraw/zinc/66/73/67/546667367.db2.gz XBSZYPWCELDPAX-QGZVFWFLSA-N 0 3 354.454 2.296 10 0 FEAEHN COc1ccccc1CNC(=O)[C@H](C)N1CCC[C@H]1Cn1ccnc1C ZINC000178328874 546775824 /nfs/dbraw/zinc/77/58/24/546775824.db2.gz YIMDJPHQCIDTDY-YJBOKZPZSA-N 0 3 356.470 2.369 10 0 FEAEHN C[C@@H]1CN(c2ccc(NC(=O)CN3CCN4CCC[C@@H]4C3)cc2)C[C@H](C)O1 ZINC000178630994 546823473 /nfs/dbraw/zinc/82/34/73/546823473.db2.gz KNBPHFPQAFKIHF-FUHIMQAGSA-N 0 3 372.513 2.019 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000179553659 546975720 /nfs/dbraw/zinc/97/57/20/546975720.db2.gz PLAZNPMLUCKGAU-LLVKDONJSA-N 0 3 365.384 2.040 10 0 FEAEHN Cc1ccn2c(c1)ncc(C(=O)N[C@@H](C)CN(C)Cc1ccccc1)c2=O ZINC000179710595 547002667 /nfs/dbraw/zinc/00/26/67/547002667.db2.gz YAHHBCZRSTXCNB-INIZCTEOSA-N 0 3 364.449 2.253 10 0 FEAEHN Cc1ccc2ncc(C(=O)N[C@@H](C)CN(C)Cc3ccccc3)c(=O)n2c1 ZINC000179722787 547004906 /nfs/dbraw/zinc/00/49/06/547004906.db2.gz IVYGBZJASXNBPO-INIZCTEOSA-N 0 3 364.449 2.253 10 0 FEAEHN Cn1c(=O)cc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CC2)n(C)c1=O ZINC000180071082 547047738 /nfs/dbraw/zinc/04/77/38/547047738.db2.gz ZRLPKJHHIOTRLV-INIZCTEOSA-N 0 3 367.371 2.344 10 0 FEAEHN CCOc1ccccc1OCCN[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000181565944 547337832 /nfs/dbraw/zinc/33/78/32/547337832.db2.gz VMQHSJNHIDPLJK-CQSZACIVSA-N 0 3 364.467 2.462 10 0 FEAEHN CC(=O)N[C@@H]1CCCN(C(=O)CN[C@H]2c3ccccc3CCC2(C)C)C1 ZINC000183217372 547622052 /nfs/dbraw/zinc/62/20/52/547622052.db2.gz LAZQTGBDNHKSOR-XLIONFOSSA-N 0 3 357.498 2.417 10 0 FEAEHN C[C@H](N[C@@H](CO)c1ccccc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000183626949 547691374 /nfs/dbraw/zinc/69/13/74/547691374.db2.gz XHSWIYAXYUGLHW-WMQCIHAUSA-N 0 3 367.493 2.089 10 0 FEAEHN Cc1cc(Br)cc(C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000184727522 547870411 /nfs/dbraw/zinc/87/04/11/547870411.db2.gz OBPJOOLACHQTED-OAHLLOKOSA-N 0 3 355.276 2.334 10 0 FEAEHN CCO[C@@H]1C[C@H](N[C@@H](C)CS(=O)(=O)c2ccccc2)C12CCOCC2 ZINC000186309683 548116670 /nfs/dbraw/zinc/11/66/70/548116670.db2.gz ALUCXLRCDDOJFA-RYQLBKOJSA-N 0 3 367.511 2.413 10 0 FEAEHN Cc1cc(C)n([C@@H](C)C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)n1 ZINC000190603690 548330366 /nfs/dbraw/zinc/33/03/66/548330366.db2.gz PFFDQMRCUYCOQZ-HKUYNNGSSA-N 0 3 355.486 2.436 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000192344567 548362652 /nfs/dbraw/zinc/36/26/52/548362652.db2.gz DMBRDHLZQQQMJE-WOJBJXKFSA-N 0 3 374.529 2.061 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(CC(=O)NCc2cccs2)C1 ZINC000195286653 548611724 /nfs/dbraw/zinc/61/17/24/548611724.db2.gz IBPXLCSFOLJBJW-KRWDZBQOSA-N 0 3 358.511 2.213 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000195288019 548613132 /nfs/dbraw/zinc/61/31/32/548613132.db2.gz KWMCDDCRGHRFQX-LPHOPBHVSA-N 0 3 356.445 2.201 10 0 FEAEHN O=C(c1nn(-c2ccccc2F)c2c1CCC2)N1CCN2CCC[C@@H]2C1 ZINC000195332287 548626354 /nfs/dbraw/zinc/62/63/54/548626354.db2.gz OGKXBEFMAOSNQC-CQSZACIVSA-N 0 3 354.429 2.420 10 0 FEAEHN CC[C@@H]1CCCCN1C(=O)[C@H](C)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000245474073 548930983 /nfs/dbraw/zinc/93/09/83/548930983.db2.gz QNMRGGIHRDHQPR-GVDBMIGSSA-N 0 3 374.533 2.256 10 0 FEAEHN COCCN1CCN(C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC000245782076 548993076 /nfs/dbraw/zinc/99/30/76/548993076.db2.gz CRKVUKXACMXLEW-ZBFHGGJFSA-N 0 3 360.420 2.261 10 0 FEAEHN CCOc1c(OC)cc(CN2CCN(C[C@H](C)O)[C@@H](CC)C2)cc1OC ZINC000245778073 548993313 /nfs/dbraw/zinc/99/33/13/548993313.db2.gz TUTZRZCSSGWSQC-RDJZCZTQSA-N 0 3 366.502 2.380 10 0 FEAEHN COc1ccc(Br)c(CN2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000245786832 548994866 /nfs/dbraw/zinc/99/48/66/548994866.db2.gz VJENLTQXCAERAH-STQMWFEESA-N 0 3 357.292 2.345 10 0 FEAEHN Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000246282744 549095686 /nfs/dbraw/zinc/09/56/86/549095686.db2.gz BPLLBKSVELZOEC-VQIMIIECSA-N 0 3 372.513 2.379 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cccc(OC(F)F)c2)C1 ZINC000246334545 549108709 /nfs/dbraw/zinc/10/87/09/549108709.db2.gz GOFSPCNBJPQAIH-SMDDNHRTSA-N 0 3 355.385 2.071 10 0 FEAEHN CC[C@@H]1CN(C[C@@H](O)COc2ccccc2C(C)C)CCN1C[C@H](C)O ZINC000246339424 549110290 /nfs/dbraw/zinc/11/02/90/549110290.db2.gz LJHBZFMAKXIOGH-IPMKNSEASA-N 0 3 364.530 2.327 10 0 FEAEHN CC(C)n1ccnc1CS(=O)(=O)C(C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000246390642 549123004 /nfs/dbraw/zinc/12/30/04/549123004.db2.gz VODNHCSVHAOXOU-KFWWJZLASA-N 0 3 355.504 2.272 10 0 FEAEHN O[C@H](COc1cccc2[nH]ccc21)CN1CC[C@@H](Oc2cccnc2)C1 ZINC000246511426 549149775 /nfs/dbraw/zinc/14/97/75/549149775.db2.gz FJFNQJCGRHVBAI-DOTOQJQBSA-N 0 3 353.422 2.456 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1nn(-c2ccccc2)c(C)cc1=O ZINC000246515925 549150864 /nfs/dbraw/zinc/15/08/64/549150864.db2.gz HFGRJCHBAPWEGB-WMZOPIPTSA-N 0 3 366.465 2.240 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)NC[C@H](C)c1ccccc1)CC2 ZINC000246566900 549164006 /nfs/dbraw/zinc/16/40/06/549164006.db2.gz LNUXINWBVHLJCP-YQQAZPJKSA-N 0 3 355.486 2.053 10 0 FEAEHN CC(=O)Nc1cccc2c1CCN(C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C)C2 ZINC000246851728 549228885 /nfs/dbraw/zinc/22/88/85/549228885.db2.gz FISAJXJMAAOWOK-IFXJQAMLSA-N 0 3 358.486 2.441 10 0 FEAEHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000246904692 549240273 /nfs/dbraw/zinc/24/02/73/549240273.db2.gz COFRLJDAFWMMBO-HOTGVXAUSA-N 0 3 360.506 2.183 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000246908053 549240290 /nfs/dbraw/zinc/24/02/90/549240290.db2.gz IEVUHOGNBFBKKX-HOTGVXAUSA-N 0 3 365.499 2.201 10 0 FEAEHN CC[C@H]1CN(C(=O)NC[C@H](c2cccs2)N(C)C)CCN1CCOC ZINC000246972142 549253906 /nfs/dbraw/zinc/25/39/06/549253906.db2.gz DXAJSNXCPNLEST-JKSUJKDBSA-N 0 3 368.547 2.103 10 0 FEAEHN CCN1CCC[C@H]1CN(C)[C@@H](C(=O)OC)c1cc(OC)cc(OC)c1 ZINC000247314358 549316283 /nfs/dbraw/zinc/31/62/83/549316283.db2.gz VRUAMSCHSPOXPA-MAUKXSAKSA-N 0 3 350.459 2.334 10 0 FEAEHN CCOCCN1CCN(C[C@@H](O)COCc2ccc(Cl)cc2)C[C@@H]1C ZINC000247880396 549390057 /nfs/dbraw/zinc/39/00/57/549390057.db2.gz ZGNAVLCZCMQDCC-QFBILLFUSA-N 0 3 370.921 2.260 10 0 FEAEHN CN1C(=O)C[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)[C@@H]1c1ccc(F)cc1 ZINC000248031932 549401347 /nfs/dbraw/zinc/40/13/47/549401347.db2.gz KJNVAVNBLDQAPZ-NTDBWNAOSA-N 0 3 359.445 2.040 10 0 FEAEHN C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[C@@H](CN(C)Cc3cccnc3)C2)C1 ZINC000248651346 549477681 /nfs/dbraw/zinc/47/76/81/549477681.db2.gz MVBRSTBTHVCCAN-NSHGMRRFSA-N 0 3 358.530 2.340 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1nc2c(s1)CCCC2 ZINC000248672673 549482052 /nfs/dbraw/zinc/48/20/52/549482052.db2.gz GGHDFBAQXMNKPP-OLZOCXBDSA-N 0 3 362.499 2.046 10 0 FEAEHN Cc1c(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)nnn1Cc1ccc(F)cc1 ZINC000248840315 549511735 /nfs/dbraw/zinc/51/17/35/549511735.db2.gz QHMOUXJGKUTFIL-DYVFJYSZSA-N 0 3 357.433 2.083 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(N2C[C@H](C)O[C@@H](C)C2)ccn1 ZINC000248846539 549512271 /nfs/dbraw/zinc/51/22/71/549512271.db2.gz UFPIVQFFYNQIPV-XYJFISCASA-N 0 3 360.502 2.252 10 0 FEAEHN COCCOc1cc(OC)ccc1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000248948752 549531411 /nfs/dbraw/zinc/53/14/11/549531411.db2.gz CSZFLUGGEZSAFU-WMLDXEAASA-N 0 3 350.459 2.179 10 0 FEAEHN CC(C)[C@H](C)NC(=O)CN1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000248971638 549533321 /nfs/dbraw/zinc/53/33/21/549533321.db2.gz DGOPRZMNODPBIR-DLBZAZTESA-N 0 3 369.550 2.275 10 0 FEAEHN CC(C)COc1cccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1 ZINC000249139872 549559572 /nfs/dbraw/zinc/55/95/72/549559572.db2.gz FKUXDAGDOPRFAX-WBVHZDCISA-N 0 3 359.470 2.355 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000249153349 549562202 /nfs/dbraw/zinc/56/22/02/549562202.db2.gz HSSFUDDZYQUCEH-YPMHNXCESA-N 0 3 371.359 2.219 10 0 FEAEHN CN(C)C[C@H]1CN([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CCO1 ZINC000249161695 549563004 /nfs/dbraw/zinc/56/30/04/549563004.db2.gz ZZLVZYWNUVZCRE-BBRMVZONSA-N 0 3 372.296 2.361 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(COCC2CC2)c1 ZINC000249234065 549572484 /nfs/dbraw/zinc/57/24/84/549572484.db2.gz VVPRNBPIHJWOBO-BEFAXECRSA-N 0 3 371.481 2.247 10 0 FEAEHN CCOCCN1CCN(CCC(=O)N2CCc3ccccc3C2)C[C@H]1C ZINC000249320954 549581074 /nfs/dbraw/zinc/58/10/74/549581074.db2.gz GDNGUAMAIRBQDJ-GOSISDBHSA-N 0 3 359.514 2.004 10 0 FEAEHN COc1cccc([C@@H](CNC(=O)NC[C@H]2CCCN2C)N2CCCC2)c1 ZINC000249735160 549621285 /nfs/dbraw/zinc/62/12/85/549621285.db2.gz DHEYMEQWKYMDTJ-IEBWSBKVSA-N 0 3 360.502 2.226 10 0 FEAEHN NC1(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)CCOCC1 ZINC000261809708 549757864 /nfs/dbraw/zinc/75/78/64/549757864.db2.gz JLMQYOWSUGTXHN-UHFFFAOYSA-N 0 3 373.432 2.257 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2ccc(-c3nc(C4CC4)no3)cc2)n1 ZINC000263158361 549882367 /nfs/dbraw/zinc/88/23/67/549882367.db2.gz DQMVSBBZSCBZNJ-AWEZNQCLSA-N 0 3 352.398 2.240 10 0 FEAEHN CC(C)N1CCN(c2cccc(NC(=O)[C@H]3CC(F)(F)CN3)c2)CC1 ZINC000263184060 549883937 /nfs/dbraw/zinc/88/39/37/549883937.db2.gz HBBVZPVEJZZPAQ-MRXNPFEDSA-N 0 3 352.429 2.153 10 0 FEAEHN CN1CCNC[C@H]1c1noc(CCc2cccc(Br)c2)n1 ZINC000263221660 549886767 /nfs/dbraw/zinc/88/67/67/549886767.db2.gz LYATUYKQGCJRIH-ZDUSSCGKSA-N 0 3 351.248 2.193 10 0 FEAEHN CC[C@H](C)n1ncc2c1nc(C)cc2-c1nc([C@@H]2CNCCN2C)no1 ZINC000263254306 549889594 /nfs/dbraw/zinc/88/95/94/549889594.db2.gz QHLPXGPGMHRJQN-WFASDCNBSA-N 0 3 355.446 2.337 10 0 FEAEHN Cc1cc(CSc2ncccc2-c2nc([C@H]3CNCCN3C)no2)no1 ZINC000263263904 549890258 /nfs/dbraw/zinc/89/02/58/549890258.db2.gz RGYSGYMZCPGUDH-CQSZACIVSA-N 0 3 372.454 2.296 10 0 FEAEHN CCN1CCC[C@@H](CN(C)C(=O)Cc2cncs2)[C@@H]1c1cnn(C)c1 ZINC000333404390 554609862 /nfs/dbraw/zinc/60/98/62/554609862.db2.gz FLTOLKYVBNESAD-KBXCAEBGSA-N 0 3 361.515 2.351 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CNC[C@@H]1CSCCS1 ZINC000151106676 672156920 /nfs/dbraw/zinc/15/69/20/672156920.db2.gz VQCMFQGRCHXRSF-CQSZACIVSA-N 0 3 370.588 2.318 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)COc2ccc(C=O)cc2Br)C1 ZINC000173088721 672348091 /nfs/dbraw/zinc/34/80/91/672348091.db2.gz QSSQMZRHZUOCNP-CYBMUJFWSA-N 0 3 369.259 2.241 10 0 FEAEHN CCN1CCC[C@@H](CN(C)C(=O)c2nnc(C)s2)[C@@H]1c1cnn(C)c1 ZINC000329908618 673084462 /nfs/dbraw/zinc/08/44/62/673084462.db2.gz LWHZVFUFKIQXLU-DZGCQCFKSA-N 0 3 362.503 2.125 10 0 FEAEHN CN(C)CCN1C[C@@H](C(=O)N2CCC(c3ccccc3)CC2)CCC1=O ZINC000012092398 539542576 /nfs/dbraw/zinc/54/25/76/539542576.db2.gz KMLJTYOEBOCXCZ-IBGZPJMESA-N 0 3 357.498 2.193 10 0 FEAEHN COc1cc(Cc2cnc(N)c(Br)c2N)cc(OC)c1O ZINC000027307272 539804694 /nfs/dbraw/zinc/80/46/94/539804694.db2.gz PYKWOKCUYAOUQN-UHFFFAOYSA-N 0 3 354.204 2.322 10 0 FEAEHN CN(C)C[C@@H](NC(=O)CSc1nnnn1C1CCCC1)c1ccccc1 ZINC000044344009 540124561 /nfs/dbraw/zinc/12/45/61/540124561.db2.gz KWTXJDPPJMPMLL-MRXNPFEDSA-N 0 3 374.514 2.299 10 0 FEAEHN C[C@@H](NC(=O)NC[C@H](O)CN1CCCCC1)c1cccc(OC(F)F)c1 ZINC000049174758 540383677 /nfs/dbraw/zinc/38/36/77/540383677.db2.gz PBSBDMZDUNNQCZ-HIFRSBDPSA-N 0 3 371.428 2.495 10 0 FEAEHN O=C(NCc1coc(-c2cccs2)n1)NC[C@H](O)CN1CCCCC1 ZINC000049189073 540384254 /nfs/dbraw/zinc/38/42/54/540384254.db2.gz YHVVHCQIGTWDMC-AWEZNQCLSA-N 0 3 364.471 2.049 10 0 FEAEHN CN(C)Cc1cccc(NC(=O)C(=O)N[C@@H](CN(C)C)c2ccccc2)c1 ZINC000049381291 540388789 /nfs/dbraw/zinc/38/87/89/540388789.db2.gz IKZFBWKDYIBXPQ-IBGZPJMESA-N 0 3 368.481 2.106 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCCN(C(=O)c3ccsc3)CC2)C1 ZINC000052592335 540476018 /nfs/dbraw/zinc/47/60/18/540476018.db2.gz JQJFFIMDVUWODG-MRXNPFEDSA-N 0 3 364.515 2.090 10 0 FEAEHN O=C(NCc1cccc(Br)c1)NC[C@H](O)CN1CCCCC1 ZINC000060564860 541117723 /nfs/dbraw/zinc/11/77/23/541117723.db2.gz XELFCOIVWNBYTL-HNNXBMFYSA-N 0 3 370.291 2.095 10 0 FEAEHN CN(C)C(=O)[C@H]1CCCN1CCCCCn1nnc(-c2ccccc2)n1 ZINC000068457001 541594396 /nfs/dbraw/zinc/59/43/96/541594396.db2.gz QIKACOBSKSAATQ-QGZVFWFLSA-N 0 3 356.474 2.063 10 0 FEAEHN C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccc2ccccc2c1 ZINC000074169264 542047859 /nfs/dbraw/zinc/04/78/59/542047859.db2.gz POALGQQHOZPYRB-DNVCBOLYSA-N 0 3 353.466 2.427 10 0 FEAEHN Cc1cc2n(n1)c1ccccc1c(=O)n2C[C@H](O)CN1CCC(C)CC1 ZINC000058161261 221100322 /nfs/dbraw/zinc/10/03/22/221100322.db2.gz BPAMSCFXHZBTGA-MRXNPFEDSA-N 0 3 354.454 2.050 10 0 FEAEHN CCc1nc(C)c([C@H]2CN(C)C[C@@H]2C(=O)Nc2ccc3n[nH]cc3c2)[nH]1 ZINC000071754118 221365246 /nfs/dbraw/zinc/36/52/46/221365246.db2.gz GUKKCNZOTAFQPI-GJZGRUSLSA-N 0 3 352.442 2.441 10 0 FEAEHN CC(C)CCn1cccc1CN[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000328625884 132371621 /nfs/dbraw/zinc/37/16/21/132371621.db2.gz DPVHXPJCMYYHGC-QGZVFWFLSA-N 0 3 357.502 2.387 10 0 FEAEHN O=C1C(=O)N(Cc2cc(F)cc(F)c2)c2cccc(N3CCNCC3)c21 ZINC000034886599 132377966 /nfs/dbraw/zinc/37/79/66/132377966.db2.gz ULOJOAGBWZPCHR-UHFFFAOYSA-N 0 3 357.360 2.104 10 0 FEAEHN CCCC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000101769592 543044137 /nfs/dbraw/zinc/04/41/37/543044137.db2.gz SRVIEAZNJKSDHY-QZTJIDSGSA-N 0 3 360.502 2.380 10 0 FEAEHN Cc1ccc(C)c(OC[C@@H](O)CN2CCCN(c3cccnn3)CC2)c1 ZINC000106068661 543188061 /nfs/dbraw/zinc/18/80/61/543188061.db2.gz JCMQEDAWCZGBTP-SFHVURJKSA-N 0 3 356.470 2.045 10 0 FEAEHN Cc1ccc(OC[C@@H](O)CN2CCCN(c3ccc(C)nn3)CC2)cc1 ZINC000106072451 543189928 /nfs/dbraw/zinc/18/99/28/543189928.db2.gz NICKUMKXXVUWPX-SFHVURJKSA-N 0 3 356.470 2.045 10 0 FEAEHN C[C@@H](O)CN1CCN(Cc2cccc(C(=O)NCc3ccco3)c2)C[C@H]1C ZINC000106097755 543195222 /nfs/dbraw/zinc/19/52/22/543195222.db2.gz CJBBGLUIUVXMOX-IAGOWNOFSA-N 0 3 371.481 2.097 10 0 FEAEHN C[C@H](C(=O)Nc1cccc(F)c1)N(C)C1CCN(CCn2cccn2)CC1 ZINC000106129665 543205393 /nfs/dbraw/zinc/20/53/93/543205393.db2.gz MXAXWDRPNPYZJV-MRXNPFEDSA-N 0 3 373.476 2.446 10 0 FEAEHN C[C@@H](C(=O)Nc1ccccc1)N(C)C1CCN(CCn2cccn2)CC1 ZINC000106130439 543206045 /nfs/dbraw/zinc/20/60/45/543206045.db2.gz IXFAXCBPOCHFQY-KRWDZBQOSA-N 0 3 355.486 2.307 10 0 FEAEHN COc1ccc2c(CN3CCC[C@H](Cn4cncn4)C3)cc(=O)oc2c1 ZINC000106176409 543213699 /nfs/dbraw/zinc/21/36/99/543213699.db2.gz PWGKFDJEQDYOPT-AWEZNQCLSA-N 0 3 354.410 2.305 10 0 FEAEHN Cc1cnn([C@@H]2CCCN(CCC(=O)NC(=O)NCc3ccccc3)C2)c1 ZINC000106221372 543219839 /nfs/dbraw/zinc/21/98/39/543219839.db2.gz MQALWMASPKGHIL-GOSISDBHSA-N 0 3 369.469 2.245 10 0 FEAEHN C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)N1CCO[C@H](CN(C)C)C1 ZINC000107305393 543265861 /nfs/dbraw/zinc/26/58/61/543265861.db2.gz XZWAQLSAKJNQBI-ZMSDIMECSA-N 0 3 359.470 2.261 10 0 FEAEHN CCN1CCN(CCCNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000109086839 543313353 /nfs/dbraw/zinc/31/33/53/543313353.db2.gz PBWISFMCWBTQKH-CVEARBPZSA-N 0 3 351.441 2.212 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000112444546 543446719 /nfs/dbraw/zinc/44/67/19/543446719.db2.gz HOBMWQPOQPQMFX-WMLDXEAASA-N 0 3 362.449 2.057 10 0 FEAEHN Cc1ccc2oc(N3CCN(C(=O)NC[C@@H]4CCCN(C)C4)CC3)nc2c1 ZINC000112454923 543447498 /nfs/dbraw/zinc/44/74/98/543447498.db2.gz FRSUWWRYSRMFQY-INIZCTEOSA-N 0 3 371.485 2.310 10 0 FEAEHN Cc1ccccc1CCNC(=O)[C@H](C)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000112552030 543451769 /nfs/dbraw/zinc/45/17/69/543451769.db2.gz NLQPMKQHPJVQJN-FUHWJXTLSA-N 0 3 369.513 2.362 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)c3cc(F)cc(F)c3)CC2)nc1 ZINC000114415824 543514578 /nfs/dbraw/zinc/51/45/78/543514578.db2.gz SEZGIXIYZPZCSU-UHFFFAOYSA-N 0 3 360.408 2.384 10 0 FEAEHN CC(C)N1CC[C@@H](NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1=O ZINC000114787239 543536378 /nfs/dbraw/zinc/53/63/78/543536378.db2.gz RAULWLCMJQGTKZ-RBUKOAKNSA-N 0 3 372.513 2.350 10 0 FEAEHN Cc1ccc(-c2nnn(CC(=O)N[C@H](CN(C)C)c3ccccc3)n2)cc1 ZINC000123467218 543763699 /nfs/dbraw/zinc/76/36/99/543763699.db2.gz DIPUUTIPXUWSLE-GOSISDBHSA-N 0 3 364.453 2.068 10 0 FEAEHN CN(C)C[C@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1 ZINC000124311295 543813301 /nfs/dbraw/zinc/81/33/01/543813301.db2.gz OKOZJQVUYGJKRD-LEWJYISDSA-N 0 3 367.493 2.307 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)C1 ZINC000247486517 549343078 /nfs/dbraw/zinc/34/30/78/549343078.db2.gz WOFZOWDRIZQQCR-BPQIPLTHSA-N 0 3 353.507 2.085 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)CCO1 ZINC000126196498 543923045 /nfs/dbraw/zinc/92/30/45/543923045.db2.gz CTWAGHBZVZAKSS-LJQANCHMSA-N 0 3 367.449 2.086 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)CCc1ccc(S(=O)(=O)CC)cc1 ZINC000126382422 543933213 /nfs/dbraw/zinc/93/32/13/543933213.db2.gz QGVBOIORRXTQIZ-KRWDZBQOSA-N 0 3 366.527 2.356 10 0 FEAEHN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(CN2CCCC2)c1 ZINC000127220815 543979171 /nfs/dbraw/zinc/97/91/71/543979171.db2.gz TXDLZXHZDMAKFE-KRWDZBQOSA-N 0 3 369.469 2.285 10 0 FEAEHN C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N1CCO[C@@H](CN(C)C)C1 ZINC000247497125 549345417 /nfs/dbraw/zinc/34/54/17/549345417.db2.gz MUFGHZADDPGWHU-FVJLSDCUSA-N 0 3 373.541 2.394 10 0 FEAEHN COc1cc(OC)c([C@@]23CCN(C)C[C@@H]2O3)c(OC)c1Br ZINC000100467192 222245467 /nfs/dbraw/zinc/24/54/67/222245467.db2.gz WKPBNWSHAJYKOE-XHDPSFHLSA-N 0 3 358.232 2.405 10 0 FEAEHN Cc1cc(C[C@H](C)NC(=O)N2CC[C@@H](N(C)C)C2)n(-c2ccccc2)n1 ZINC000132478614 544232737 /nfs/dbraw/zinc/23/27/37/544232737.db2.gz FXMQMCANPMANQX-MAUKXSAKSA-N 0 3 355.486 2.457 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000134728082 544319953 /nfs/dbraw/zinc/31/99/53/544319953.db2.gz IIDTXLLQNFTCTQ-VVHMCBODSA-N 0 3 359.445 2.040 10 0 FEAEHN CCOc1ccccc1NC(=O)CCN1CCCN(c2cccnn2)CC1 ZINC000137118260 544384969 /nfs/dbraw/zinc/38/49/69/544384969.db2.gz QQMYWLKOJZCLRT-UHFFFAOYSA-N 0 3 369.469 2.416 10 0 FEAEHN O=C(CCN1CC[C@@H](N2CCOCC2)C1)Nc1ccccc1C(F)(F)F ZINC000137687651 544391925 /nfs/dbraw/zinc/39/19/25/544391925.db2.gz IQJROPAIHNJKHQ-CQSZACIVSA-N 0 3 371.403 2.441 10 0 FEAEHN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c(F)c1 ZINC000150782328 544470515 /nfs/dbraw/zinc/47/05/15/544470515.db2.gz SJHWUSKOIVHSAS-DYVFJYSZSA-N 0 3 365.449 2.396 10 0 FEAEHN COc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1Cl ZINC000150783647 544470644 /nfs/dbraw/zinc/47/06/44/544470644.db2.gz ARSWZWUBVLPWLQ-RISCZKNCSA-N 0 3 353.850 2.132 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)COc2cc(C)cc(C)c2)CCN1CCOC ZINC000155097605 544988637 /nfs/dbraw/zinc/98/86/37/544988637.db2.gz NTDMQJDIJFELMR-MOPGFXCFSA-N 0 3 350.503 2.086 10 0 FEAEHN CN(C[C@H](O)COCc1cccs1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000155040752 544981073 /nfs/dbraw/zinc/98/10/73/544981073.db2.gz SZZBMGOLKCWRFG-CVEARBPZSA-N 0 3 362.499 2.016 10 0 FEAEHN CCC[C@@H](C(=O)N1CCN(c2ccc(Br)cn2)CC1)N(C)C ZINC000179496724 327646347 /nfs/dbraw/zinc/64/63/47/327646347.db2.gz QHYLSVOOQACOIA-AWEZNQCLSA-N 0 3 369.307 2.223 10 0 FEAEHN C[C@H](N[C@H]1CCc2ncnn2C1)c1ccc(OCc2nccn2C)cc1 ZINC000180600199 327692796 /nfs/dbraw/zinc/69/27/96/327692796.db2.gz HCFWQISNBOAVNM-HOCLYGCPSA-N 0 3 352.442 2.256 10 0 FEAEHN C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)CN1C1CC1 ZINC000188337646 328081554 /nfs/dbraw/zinc/08/15/54/328081554.db2.gz IONAYHHPOHCZII-QVHKTLOISA-N 0 3 355.454 2.075 10 0 FEAEHN O=C(NC[C@@H](O)CN1CCCCC1)NC[C@H](c1ccccc1)C(F)(F)F ZINC000189050864 328125786 /nfs/dbraw/zinc/12/57/86/328125786.db2.gz HTGMFKXHECTNAL-HZPDHXFCSA-N 0 3 373.419 2.479 10 0 FEAEHN CCC1CCC(NS(=O)(=O)c2c(C)nn(CCN(C)C)c2C)CC1 ZINC000189540620 328153888 /nfs/dbraw/zinc/15/38/88/328153888.db2.gz JTLYVVPVNAXLLY-UHFFFAOYSA-N 0 3 356.536 2.309 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000190079993 328186544 /nfs/dbraw/zinc/18/65/44/328186544.db2.gz QHUGXZJLJDRTIB-GOEBONIOSA-N 0 3 374.460 2.060 10 0 FEAEHN Cc1ccc([C@H]2CCCCN2C(=O)C(=O)Nc2ccn(CCN(C)C)n2)o1 ZINC000190210320 328194411 /nfs/dbraw/zinc/19/44/11/328194411.db2.gz ABDUKYHCMFSABO-OAHLLOKOSA-N 0 3 373.457 2.038 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000190336994 328201232 /nfs/dbraw/zinc/20/12/32/328201232.db2.gz ZIUYLURCQOZSEM-DLBZAZTESA-N 0 3 369.465 2.229 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc2nc(C)oc2c1 ZINC000190352158 328202172 /nfs/dbraw/zinc/20/21/72/328202172.db2.gz DGCSKISPWGYUDG-LSDHHAIUSA-N 0 3 356.426 2.160 10 0 FEAEHN CN(C)C(=O)c1ccc(CN2CC[C@@H](CN(C)Cc3cccnc3)C2)[nH]1 ZINC000190486516 328210759 /nfs/dbraw/zinc/21/07/59/328210759.db2.gz ZIELUKYWBBMTPM-KRWDZBQOSA-N 0 3 355.486 2.065 10 0 FEAEHN CC(C)N(C)C(=O)[C@@H](C)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190496192 328211438 /nfs/dbraw/zinc/21/14/38/328211438.db2.gz RGKDSIWCPXLGKT-SJORKVTESA-N 0 3 369.550 2.370 10 0 FEAEHN CCn1cc(NC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)ccc1=O ZINC000190498659 328211738 /nfs/dbraw/zinc/21/17/38/328211738.db2.gz QKKIQYQYBJCZTL-QGZVFWFLSA-N 0 3 369.469 2.249 10 0 FEAEHN COC(=O)c1cccc(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190577922 328217479 /nfs/dbraw/zinc/21/74/79/328217479.db2.gz FFQZLGWFQTXRJD-KRWDZBQOSA-N 0 3 367.449 2.462 10 0 FEAEHN CC(=O)N1C[C@@H](O)C[C@H]1c1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000191686319 328277203 /nfs/dbraw/zinc/27/72/03/328277203.db2.gz XTHLQDDBPADIOE-ROUUACIJSA-N 0 3 370.453 2.377 10 0 FEAEHN CN(C(=O)CN[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)c1nccs1 ZINC000191915446 328288675 /nfs/dbraw/zinc/28/86/75/328288675.db2.gz KEOQJDDYMPVZPB-QWHCGFSZSA-N 0 3 368.503 2.389 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000192007179 328293674 /nfs/dbraw/zinc/29/36/74/328293674.db2.gz RVFPYMAAUGEXFX-SECBINFHSA-N 0 3 374.666 2.204 10 0 FEAEHN O=C([C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)N1CCC(O)CC1 ZINC000192152790 328303115 /nfs/dbraw/zinc/30/31/15/328303115.db2.gz BIXRBROBEAXCRO-HZPDHXFCSA-N 0 3 356.388 2.280 10 0 FEAEHN CCN(Cc1ccccc1C)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000193070564 328355439 /nfs/dbraw/zinc/35/54/39/328355439.db2.gz MMCPLLBAWOJGCH-KRWDZBQOSA-N 0 3 352.434 2.474 10 0 FEAEHN CCC[C@@H](N)C(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000236920135 328498328 /nfs/dbraw/zinc/49/83/28/328498328.db2.gz OADVFWIRFUQPAY-CQSZACIVSA-N 0 3 357.376 2.117 10 0 FEAEHN C[C@@H](NC[C@@H]1CN(C)CCO1)c1ccc(I)cc1 ZINC000091667739 325389497 /nfs/dbraw/zinc/38/94/97/325389497.db2.gz KRJRHMYEHGCGGL-BXUZGUMPSA-N 0 3 360.239 2.272 10 0 FEAEHN C[C@@H](NC(=O)N(C)C1CCN(CCn2cccn2)CC1)c1cccnc1 ZINC000109392309 325666929 /nfs/dbraw/zinc/66/69/29/325666929.db2.gz MPGTYGAIIOTJMO-MRXNPFEDSA-N 0 3 356.474 2.145 10 0 FEAEHN CC(C)N1CC[C@@H](NC[C@H](c2cccs2)N2CCO[C@H](C)C2)C1=O ZINC000245473052 328553117 /nfs/dbraw/zinc/55/31/17/328553117.db2.gz PQGNUWXEFRHZHP-BZUAXINKSA-N 0 3 351.516 2.109 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@H](C)C(=O)N(C)Cc1ccccc1C)CC2 ZINC000112551174 325790247 /nfs/dbraw/zinc/79/02/47/325790247.db2.gz YERIHSLPGUXICR-NVXWUHKLSA-N 0 3 355.486 2.100 10 0 FEAEHN CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)NCCn2cc(C)cn2)c1 ZINC000112552250 325791273 /nfs/dbraw/zinc/79/12/73/325791273.db2.gz MQCVCIGBUSJYKP-MRXNPFEDSA-N 0 3 371.485 2.290 10 0 FEAEHN CCc1noc([C@@H](C)N2CCN(C(=O)[C@H](C)N3CCCCCC3)CC2)n1 ZINC000114276192 325880955 /nfs/dbraw/zinc/88/09/55/325880955.db2.gz PDOCAEAPWVMSST-CVEARBPZSA-N 0 3 363.506 2.102 10 0 FEAEHN Cn1cc([C@@H]2CCN(C(=O)NCCCN3CCc4ccccc4C3)C2)cn1 ZINC000116418088 326012335 /nfs/dbraw/zinc/01/23/35/326012335.db2.gz GEIJANQGPYQXFH-LJQANCHMSA-N 0 3 367.497 2.367 10 0 FEAEHN Cc1c(C(=O)N2CCO[C@H](CN(C)C)C2)cnn1-c1ccccc1Cl ZINC000116794985 326036359 /nfs/dbraw/zinc/03/63/59/326036359.db2.gz TURAMSDKFMXQIE-CQSZACIVSA-N 0 3 362.861 2.237 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)CCO1 ZINC000116795864 326036430 /nfs/dbraw/zinc/03/64/30/326036430.db2.gz MUDFNRXWQNKFFR-OAHLLOKOSA-N 0 3 367.287 2.270 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NCc2ccccc2OC(F)(F)F)CCO1 ZINC000117028536 326048334 /nfs/dbraw/zinc/04/83/34/326048334.db2.gz CYFDMKLMTKKWIN-ZDUSSCGKSA-N 0 3 361.364 2.057 10 0 FEAEHN CC[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CCN1CCOC ZINC000117305083 326056188 /nfs/dbraw/zinc/05/61/88/326056188.db2.gz IEXOQIQJLRBNTG-INIZCTEOSA-N 0 3 360.433 2.399 10 0 FEAEHN COCCN1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C[C@@H]1C ZINC000117480727 326062350 /nfs/dbraw/zinc/06/23/50/326062350.db2.gz GBVVMTJIWUUBGS-AZUAARDMSA-N 0 3 374.529 2.013 10 0 FEAEHN COc1ccc2nc(NC(=O)N3CCO[C@H](CN(C)C)C3)sc2c1 ZINC000118786479 326102274 /nfs/dbraw/zinc/10/22/74/326102274.db2.gz TULGZGITFVTQQP-GFCCVEGCSA-N 0 3 350.444 2.099 10 0 FEAEHN Cc1cc(=O)c(C(=O)NC[C@H]2CCCN2CC(C)C)nn1-c1ccccc1 ZINC000119425404 326161073 /nfs/dbraw/zinc/16/10/73/326161073.db2.gz AQIRSDIVLYDQQS-GOSISDBHSA-N 0 3 368.481 2.391 10 0 FEAEHN O=C(CSc1ccc(O)cc1)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000119777242 326197205 /nfs/dbraw/zinc/19/72/05/326197205.db2.gz ZOTYOIMATHJSKU-SFHVURJKSA-N 0 3 372.490 2.020 10 0 FEAEHN CC(C)OCCN1CCC(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CC1 ZINC000119894762 326210202 /nfs/dbraw/zinc/21/02/02/326210202.db2.gz SEPIFXZLYQWIMR-PXNSSMCTSA-N 0 3 367.534 2.212 10 0 FEAEHN CCOc1cc(C)nc(N2CCN(CCCCn3ccnc3C)CC2)n1 ZINC000120886252 326296067 /nfs/dbraw/zinc/29/60/67/326296067.db2.gz ZWTGFNZZPBDDGN-UHFFFAOYSA-N 0 3 358.490 2.291 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)N(C)Cc2cn(C)nc2C(F)(F)F)[C@@H](C)C1 ZINC000122424186 326396597 /nfs/dbraw/zinc/39/65/97/326396597.db2.gz BWMRQZMYEZWZMV-AAEUAGOBSA-N 0 3 361.412 2.309 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000123027690 326417722 /nfs/dbraw/zinc/41/77/22/326417722.db2.gz VHFWDBUOGFOUOS-ZACQAIPSSA-N 0 3 367.490 2.090 10 0 FEAEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)C1(O)CCCC1 ZINC000129177809 326535766 /nfs/dbraw/zinc/53/57/66/326535766.db2.gz LPVWWXSDKRWWEH-LJQANCHMSA-N 0 3 360.498 2.196 10 0 FEAEHN CCOc1ccc(Cl)cc1CCNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000129626286 326543840 /nfs/dbraw/zinc/54/38/40/326543840.db2.gz WUQKYXCVBYHFNR-INIZCTEOSA-N 0 3 369.893 2.253 10 0 FEAEHN CCC[C@H](C(=O)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)N(C)C ZINC000135446561 326641521 /nfs/dbraw/zinc/64/15/21/326641521.db2.gz OHZZUZAAELEAOR-KBXCAEBGSA-N 0 3 361.486 2.252 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000152566518 326710539 /nfs/dbraw/zinc/71/05/39/326710539.db2.gz MPESHTWEJALEKY-RTBURBONSA-N 0 3 365.493 2.292 10 0 FEAEHN CC1CCN(CCNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 ZINC000153528323 326735058 /nfs/dbraw/zinc/73/50/58/326735058.db2.gz CGQXZRGSLHFSMI-HKUYNNGSSA-N 0 3 361.461 2.193 10 0 FEAEHN COc1ccc(C(=O)N2CC[C@@H](N(C)C)C2)c(I)c1 ZINC000154434858 326760012 /nfs/dbraw/zinc/76/00/12/326760012.db2.gz SVYDJKKWMNNEAI-SNVBAGLBSA-N 0 3 374.222 2.076 10 0 FEAEHN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCO[C@H](CN(C)C)C1 ZINC000157818506 326876216 /nfs/dbraw/zinc/87/62/16/326876216.db2.gz VQILUJDQZFOQKN-RHSMWYFYSA-N 0 3 353.894 2.122 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)C1 ZINC000170858299 327102841 /nfs/dbraw/zinc/10/28/41/327102841.db2.gz MZVUOYWRBKUTAV-SJORKVTESA-N 0 3 351.450 2.355 10 0 FEAEHN Cc1cccc(C2N=NC(=S)N2CCC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000170859530 327102985 /nfs/dbraw/zinc/10/29/85/327102985.db2.gz NAXZAYOZYGQXBG-OAHLLOKOSA-N 0 3 359.499 2.095 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000170865484 327103836 /nfs/dbraw/zinc/10/38/36/327103836.db2.gz ODIHAMBKTUNPSF-OAHLLOKOSA-N 0 3 363.259 2.411 10 0 FEAEHN O=C(CN1CCN2CCC[C@@H]2C1)N[C@H](c1nccs1)c1ccccc1 ZINC000170987712 327111066 /nfs/dbraw/zinc/11/10/66/327111066.db2.gz ROYUBRKLPCEQQC-AEFFLSMTSA-N 0 3 356.495 2.129 10 0 FEAEHN COc1ccc([C@@H](CNC(=O)N2CCN3CCC[C@@H]3C2)N2CCCC2)cc1 ZINC000171896330 327167982 /nfs/dbraw/zinc/16/79/82/327167982.db2.gz VAPFZODQEBEKDY-UYAOXDASSA-N 0 3 372.513 2.322 10 0 FEAEHN CN(C)Cc1c2ccccc2oc1C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000173333772 327250333 /nfs/dbraw/zinc/25/03/33/327250333.db2.gz STMXZSJGGGFQNS-HNNXBMFYSA-N 0 3 368.437 2.232 10 0 FEAEHN CC[C@@H]1CN(C(=O)c2oc3ccccc3c2CN(C)C)CCN1C[C@@H](C)O ZINC000173361807 327252087 /nfs/dbraw/zinc/25/20/87/327252087.db2.gz XFZYQWIQNMAXKQ-HZPDHXFCSA-N 0 3 373.497 2.412 10 0 FEAEHN O=C(CC1(O)CCCC1)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000173468169 327259337 /nfs/dbraw/zinc/25/93/37/327259337.db2.gz UPSUIXUWFDUTSI-LJQANCHMSA-N 0 3 360.498 2.243 10 0 FEAEHN COCCCN(C)CCNC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173504522 327262288 /nfs/dbraw/zinc/26/22/88/327262288.db2.gz HUSMTSZHBNXUMV-HNNXBMFYSA-N 0 3 354.520 2.309 10 0 FEAEHN C[C@@H](NC(=O)NC[C@H](O)CN1CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000173654863 327273915 /nfs/dbraw/zinc/27/39/15/327273915.db2.gz JQJGKUVOSLNUKC-APWZRJJASA-N 0 3 371.485 2.079 10 0 FEAEHN COCCOCc1cc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)ccc1F ZINC000173744392 327280739 /nfs/dbraw/zinc/28/07/39/327280739.db2.gz VHGFLCNVLSQDEN-WMLDXEAASA-N 0 3 350.434 2.297 10 0 FEAEHN CC(C)CC(=O)Nc1ccc(C(=O)N2CCO[C@H](CN(C)C)C2)cc1F ZINC000173792324 327284420 /nfs/dbraw/zinc/28/44/20/327284420.db2.gz LXYFUAFYDDSWQE-OAHLLOKOSA-N 0 3 365.449 2.213 10 0 FEAEHN CC[C@@H](O)CN1CCN(CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000174080570 327305015 /nfs/dbraw/zinc/30/50/15/327305015.db2.gz AJOVXEJWQGUYFP-CQSZACIVSA-N 0 3 357.857 2.196 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@H]1CCCN(c3ccc(C)cc3)C1=O)CC2 ZINC000174085591 327305400 /nfs/dbraw/zinc/30/54/00/327305400.db2.gz CPDWEFYGJPBURF-WBVHZDCISA-N 0 3 353.470 2.249 10 0 FEAEHN O=C(NCc1nccs1)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000174102439 327306381 /nfs/dbraw/zinc/30/63/81/327306381.db2.gz SLNOYPVHPGMETP-KRWDZBQOSA-N 0 3 374.510 2.388 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N(C)Cc2nc([C@@H](C)OCC(C)C)no2)C1 ZINC000174239238 327314945 /nfs/dbraw/zinc/31/49/45/327314945.db2.gz GGQPANMXKMRCQD-HUUCEWRRSA-N 0 3 367.494 2.429 10 0 FEAEHN CNc1cc(N2CCC[C@H]2CN[C@H](C)C(=O)N(C(C)C)C(C)C)ncn1 ZINC000174288928 327317468 /nfs/dbraw/zinc/31/74/68/327317468.db2.gz WWRCLUKERUYGIT-CVEARBPZSA-N 0 3 362.522 2.111 10 0 FEAEHN O=C(COCC(F)(F)F)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000174853719 327355317 /nfs/dbraw/zinc/35/53/17/327355317.db2.gz WFDQEOJJWUFHDM-MRXNPFEDSA-N 0 3 374.403 2.127 10 0 FEAEHN Cc1cc(N2CCN(CCCc3ccccc3C)CC2)n2ncnc2n1 ZINC000175904381 327420400 /nfs/dbraw/zinc/42/04/00/327420400.db2.gz SVBNPMVSBMGIEN-UHFFFAOYSA-N 0 3 350.470 2.496 10 0 FEAEHN NC1(C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)CCOCC1 ZINC000261947317 328831089 /nfs/dbraw/zinc/83/10/89/328831089.db2.gz YNACUXQTGOOKTA-UHFFFAOYSA-N 0 3 374.462 2.107 10 0 FEAEHN Cc1ccc(-c2cc(C(=O)[N-]c3nc(C4CC[NH2+]CC4)nn3C)on2)cc1 ZINC000262433101 328865603 /nfs/dbraw/zinc/86/56/03/328865603.db2.gz RWSKXNJMLFTILB-UHFFFAOYSA-N 0 3 366.425 2.498 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000262709235 328882854 /nfs/dbraw/zinc/88/28/54/328882854.db2.gz OSHLWENTJDMZRY-IAOVAPTHSA-N 0 3 353.894 2.203 10 0 FEAEHN CCc1c(-c2nc([C@H]3CNCCN3C)no2)nnn1-c1cccc(Cl)c1 ZINC000263201407 328924849 /nfs/dbraw/zinc/92/48/49/328924849.db2.gz JBZSNMUPCGYCLH-CQSZACIVSA-N 0 3 373.848 2.109 10 0 FEAEHN COc1ccc(-c2cnc(CCc3nc([C@H]4CNCCN4C)no3)o2)cc1 ZINC000263218277 328925994 /nfs/dbraw/zinc/92/59/94/328925994.db2.gz LHCHHWCYXVUAJL-OAHLLOKOSA-N 0 3 369.425 2.095 10 0 FEAEHN CN(C)C[C@@H]1CN(CCC(=O)Nc2ccccc2Br)CCO1 ZINC000155332941 545512897 /nfs/dbraw/zinc/51/28/97/545512897.db2.gz JKOZVOUUXDNFQB-CYBMUJFWSA-N 0 3 370.291 2.040 10 0 FEAEHN Cc1cccc(C)c1NCC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000159294346 545940800 /nfs/dbraw/zinc/94/08/00/545940800.db2.gz GZTLCQLHTGVNAX-FQEVSTJZSA-N 0 3 367.493 2.251 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)C1 ZINC000170865542 546180522 /nfs/dbraw/zinc/18/05/22/546180522.db2.gz FDUGHSLSZWJKLV-ZDUSSCGKSA-N 0 3 360.408 2.415 10 0 FEAEHN C[C@@H](O)CN1CCN(Cc2cccc(SC(=O)N(C)C)c2)C[C@H]1C ZINC000176916885 546508440 /nfs/dbraw/zinc/50/84/40/546508440.db2.gz LDCCWBLWYJWKFB-HUUCEWRRSA-N 0 3 351.516 2.347 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O ZINC000176970753 546515625 /nfs/dbraw/zinc/51/56/25/546515625.db2.gz UEDHQCOSLLCZJS-ZDUSSCGKSA-N 0 3 359.470 2.086 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(Br)cnc1N(C)C ZINC000177014831 546524440 /nfs/dbraw/zinc/52/44/40/546524440.db2.gz CFWHHLCOERBRRJ-ZDUSSCGKSA-N 0 3 369.307 2.466 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000177022682 546525216 /nfs/dbraw/zinc/52/52/16/546525216.db2.gz SIGLYILKUFNXIQ-MOPGFXCFSA-N 0 3 357.498 2.482 10 0 FEAEHN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N(C)C[C@H]1CCCN1CC ZINC000177022759 546525540 /nfs/dbraw/zinc/52/55/40/546525540.db2.gz KQAAKWOFAOMJPL-MOPGFXCFSA-N 0 3 359.514 2.457 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C(=O)N(C)C)cc1OC ZINC000177255131 546581188 /nfs/dbraw/zinc/58/11/88/546581188.db2.gz CKWWEVNHYMYRKS-OAHLLOKOSA-N 0 3 362.474 2.345 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000177307123 546590733 /nfs/dbraw/zinc/59/07/33/546590733.db2.gz NDBJVRSVNHXVKC-SFHVURJKSA-N 0 3 358.486 2.439 10 0 FEAEHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000177332786 546596796 /nfs/dbraw/zinc/59/67/96/546596796.db2.gz DXXVLCHUXWCKDR-QGZVFWFLSA-N 0 3 356.474 2.406 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)N[C@H]1CCCn2ncnc21)c1ccccc1 ZINC000177357028 546600044 /nfs/dbraw/zinc/60/00/44/546600044.db2.gz BYOSRFWTJZTUHF-DLBZAZTESA-N 0 3 356.474 2.495 10 0 FEAEHN Cc1cc(C(=O)N(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)n(C)n1 ZINC000177455983 546622389 /nfs/dbraw/zinc/62/23/89/546622389.db2.gz LGDJMMLYOZKIOR-HXUWFJFHSA-N 0 3 370.497 2.246 10 0 FEAEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)C1CCOCC1 ZINC000177458895 546622551 /nfs/dbraw/zinc/62/25/51/546622551.db2.gz BVRIWGIVYCTSSV-FQEVSTJZSA-N 0 3 360.498 2.317 10 0 FEAEHN Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177686190 546668026 /nfs/dbraw/zinc/66/80/26/546668026.db2.gz SRQYLGSKKZTJKW-ZDUSSCGKSA-N 0 3 355.360 2.259 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)NCc1cc(Cl)ccc1OC ZINC000177712617 546672457 /nfs/dbraw/zinc/67/24/57/546672457.db2.gz CMCJTCSDGREIEW-MRXNPFEDSA-N 0 3 353.894 2.381 10 0 FEAEHN O=C(CCN1CCN2CCCC[C@@H]2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000177757776 546681191 /nfs/dbraw/zinc/68/11/91/546681191.db2.gz STFQJQKICZMJEJ-HXUWFJFHSA-N 0 3 374.504 2.035 10 0 FEAEHN O[C@H](COc1ccc(Br)cc1)CN1CCN2CCCC[C@@H]2C1 ZINC000177780532 546685553 /nfs/dbraw/zinc/68/55/53/546685553.db2.gz IJJWJLAKPYSKHD-CVEARBPZSA-N 0 3 369.303 2.359 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000177974953 546716170 /nfs/dbraw/zinc/71/61/70/546716170.db2.gz VUXLCULYXLNNJX-LBPRGKRZSA-N 0 3 371.279 2.096 10 0 FEAEHN COc1ccccc1CN(C)C(=O)CN1CCC[C@@H]1Cn1ccnc1C ZINC000178320996 546774168 /nfs/dbraw/zinc/77/41/68/546774168.db2.gz XBYLCARKJHUIHS-GOSISDBHSA-N 0 3 356.470 2.323 10 0 FEAEHN COc1cccc(CN(C)C(=O)CN2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000178314186 546775037 /nfs/dbraw/zinc/77/50/37/546775037.db2.gz JFUQPNBYZVDMAR-GOSISDBHSA-N 0 3 356.470 2.323 10 0 FEAEHN Cc1cccc(N2CCN(C(=O)CN3CC[C@@]4(O)CCCC[C@@H]4C3)CC2)c1 ZINC000178696350 546834432 /nfs/dbraw/zinc/83/44/32/546834432.db2.gz USLIKSMGWDXEEU-KNQAVFIVSA-N 0 3 371.525 2.271 10 0 FEAEHN CC(=O)Nc1ccc(NC(=O)CN2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000178745443 546842095 /nfs/dbraw/zinc/84/20/95/546842095.db2.gz SDIROAIKICFOOY-SFHVURJKSA-N 0 3 355.442 2.253 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cccc(-c2nnc(COC)o2)c1 ZINC000179702064 547000858 /nfs/dbraw/zinc/00/08/58/547000858.db2.gz BIPVRMMZEIOAPT-MRXNPFEDSA-N 0 3 358.442 2.439 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2cccc(OCc3cccnc3)c2)CCO1 ZINC000181172868 547263165 /nfs/dbraw/zinc/26/31/65/547263165.db2.gz VJVAVVCUPNUBBI-IBGZPJMESA-N 0 3 370.453 2.455 10 0 FEAEHN Cc1cc(N2CCC[C@H](N[C@H](C)c3ccc4c(c3)OCCO4)C2=O)n(C)n1 ZINC000182350421 547477424 /nfs/dbraw/zinc/47/74/24/547477424.db2.gz FYQWPXCCNNGSHW-ZBFHGGJFSA-N 0 3 370.453 2.346 10 0 FEAEHN CC(C)c1nnc(CS(=O)(=O)C(C)C(=O)N2[C@@H](C)CCC[C@@H]2C)n1C ZINC000182394932 547485395 /nfs/dbraw/zinc/48/53/95/547485395.db2.gz PSPRDNJSVDRPPH-MELADBBJSA-N 0 3 370.519 2.031 10 0 FEAEHN C[C@H](N[C@@H](CO)c1ccccc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000183626983 547691680 /nfs/dbraw/zinc/69/16/80/547691680.db2.gz XHSWIYAXYUGLHW-YYWHXJBOSA-N 0 3 367.493 2.089 10 0 FEAEHN COC(=O)COc1ccccc1[C@@H](C)N[C@H]1CCCN(c2cccnn2)C1 ZINC000183771248 547717061 /nfs/dbraw/zinc/71/70/61/547717061.db2.gz ZNQSRKWOAVOYPN-CVEARBPZSA-N 0 3 370.453 2.348 10 0 FEAEHN Cc1nnc(C(=O)N(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)s1 ZINC000185471740 547989135 /nfs/dbraw/zinc/98/91/35/547989135.db2.gz TUEVFRGRYISSHV-QGZVFWFLSA-N 0 3 374.510 2.364 10 0 FEAEHN COCC1=CCN(C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000185825417 548041039 /nfs/dbraw/zinc/04/10/39/548041039.db2.gz ZPXVGSBWCPWSRV-OAHLLOKOSA-N 0 3 356.260 2.467 10 0 FEAEHN CN(Cc1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000186939576 548225452 /nfs/dbraw/zinc/22/54/52/548225452.db2.gz UNRHNEIDGVLAKM-GOSISDBHSA-N 0 3 365.481 2.486 10 0 FEAEHN O=C(NCCN1CCCOCC1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000187053926 548248346 /nfs/dbraw/zinc/24/83/46/548248346.db2.gz ZNOBBPZIVGYBBX-HXUWFJFHSA-N 0 3 374.529 2.063 10 0 FEAEHN CN(Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000194844680 548539833 /nfs/dbraw/zinc/53/98/33/548539833.db2.gz HIWATZMCJBXYGT-NRFANRHFSA-N 0 3 367.493 2.379 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(CC(=O)NCc2ccco2)C1 ZINC000195256765 548605498 /nfs/dbraw/zinc/60/54/98/548605498.db2.gz ZGGJHQZCCWZZTB-HNNXBMFYSA-N 0 3 362.499 2.115 10 0 FEAEHN Cc1cccc(CNC(=O)CN2CC[C@H](CN(C)Cc3cccnc3)C2)c1 ZINC000195271187 548607467 /nfs/dbraw/zinc/60/74/67/548607467.db2.gz RCCLTCMTJCUSTK-OAQYLSRUSA-N 0 3 366.509 2.460 10 0 FEAEHN CCCCN1C(=O)c2ccc(C(=O)N3CCN4CCC[C@H]4C3)cc2C1=O ZINC000195309645 548618869 /nfs/dbraw/zinc/61/88/69/548618869.db2.gz MCMWFEKJTOIJTK-HNNXBMFYSA-N 0 3 355.438 2.003 10 0 FEAEHN CCOc1ccc(OC[C@H](O)CN2CCC(c3ccnn3C)CC2)cc1 ZINC000195504013 548650578 /nfs/dbraw/zinc/65/05/78/548650578.db2.gz PFMWPZWMQKGMND-QGZVFWFLSA-N 0 3 359.470 2.438 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C[C@@H](NC(C)=O)c1ccc(F)cc1F ZINC000245429210 548916759 /nfs/dbraw/zinc/91/67/59/548916759.db2.gz KCLBSYYMSOTLEP-CRAIPNDOSA-N 0 3 367.440 2.475 10 0 FEAEHN CN1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1)CC2 ZINC000245454095 548925085 /nfs/dbraw/zinc/92/50/85/548925085.db2.gz RRZIWICNQIHOPF-RMJJICAUSA-N 0 3 355.482 2.291 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000245478496 548930547 /nfs/dbraw/zinc/93/05/47/548930547.db2.gz VLLHMHLEMBTYLF-HUUCEWRRSA-N 0 3 354.292 2.392 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)c2c[nH]c3nccc(Cl)c23)C1 ZINC000245693925 548977411 /nfs/dbraw/zinc/97/74/11/548977411.db2.gz AZAHEVBKBCFNSJ-ZYHUDNBSSA-N 0 3 356.879 2.223 10 0 FEAEHN CCOC(=O)c1nn(-c2ccccc2)cc1CN1CCN2CCC[C@H]2C1 ZINC000245720261 548982765 /nfs/dbraw/zinc/98/27/65/548982765.db2.gz HUGNBKNRFMIPDK-SFHVURJKSA-N 0 3 354.454 2.329 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000245881545 549009348 /nfs/dbraw/zinc/00/93/48/549009348.db2.gz KXGICOJQROVBDU-PKOBYXMFSA-N 0 3 370.501 2.220 10 0 FEAEHN CN(Cc1cc(Br)cs1)C(=O)CN1CCN2CCC[C@H]2C1 ZINC000245902908 549015434 /nfs/dbraw/zinc/01/54/34/549015434.db2.gz GSEXIDPJPUCKEW-ZDUSSCGKSA-N 0 3 372.332 2.249 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(-c3ncco3)cc2)C1 ZINC000246057652 549043168 /nfs/dbraw/zinc/04/31/68/549043168.db2.gz YBCIAAPZMXBVAL-CZUORRHYSA-N 0 3 356.426 2.125 10 0 FEAEHN CCN(C(=O)[C@H](C)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)C1CCCCC1 ZINC000246079895 549046529 /nfs/dbraw/zinc/04/65/29/549046529.db2.gz FDELRYVDFUSQFT-AOIWGVFYSA-N 0 3 351.535 2.209 10 0 FEAEHN C[C@H]1CCN(C(=O)N[C@H]2CCCn3ncnc32)CCN1Cc1ccccc1 ZINC000246178898 549071011 /nfs/dbraw/zinc/07/10/11/549071011.db2.gz SVYJIVYWIUIHBL-WMZOPIPTSA-N 0 3 368.485 2.419 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccc(C)c1C(=O)OC ZINC000246200747 549076120 /nfs/dbraw/zinc/07/61/20/549076120.db2.gz PNDBUCKOYSYPGK-GJZGRUSLSA-N 0 3 366.483 2.029 10 0 FEAEHN CCn1cnnc1[C@H]1CCCN(C[C@@H](O)COCc2cccs2)C1 ZINC000246207894 549077828 /nfs/dbraw/zinc/07/78/28/549077828.db2.gz NJLUEHPJPNSHLA-LSDHHAIUSA-N 0 3 350.488 2.117 10 0 FEAEHN CSCCc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000246345337 549111001 /nfs/dbraw/zinc/11/10/01/549111001.db2.gz HHNLJSOERRPJBH-WMLDXEAASA-N 0 3 363.527 2.376 10 0 FEAEHN O=C1CCCN1C[C@H](O)CN1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246428091 549130857 /nfs/dbraw/zinc/13/08/57/549130857.db2.gz CLDDBYVDXTXVSL-BRWVUGGUSA-N 0 3 366.527 2.400 10 0 FEAEHN Cc1ncc(-c2ccc(NC(=O)C(=O)N[C@@H]3CN(C(C)C)C[C@H]3C)cc2)o1 ZINC000246460185 549137939 /nfs/dbraw/zinc/13/79/39/549137939.db2.gz PFQFOYIALQLINW-CXAGYDPISA-N 0 3 370.453 2.433 10 0 FEAEHN CC[C@@H]1CN(Cc2cn(-c3ccc(Cl)cc3)nn2)CCN1C[C@H](C)O ZINC000246525829 549153417 /nfs/dbraw/zinc/15/34/17/549153417.db2.gz KXGIDHQWUBCADH-WMLDXEAASA-N 0 3 363.893 2.198 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000246549351 549158285 /nfs/dbraw/zinc/15/82/85/549158285.db2.gz KHLXGZRFFOCLQJ-NWDGAFQWSA-N 0 3 358.408 2.476 10 0 FEAEHN CCc1nc2cc(NC(=O)C(=O)N[C@H]3CN(C(C)C)C[C@H]3C)ccc2o1 ZINC000246546531 549158987 /nfs/dbraw/zinc/15/89/87/549158987.db2.gz VTPLMBZIRPEMLX-DOMZBBRYSA-N 0 3 358.442 2.174 10 0 FEAEHN C[C@@H](NC(=O)[C@H](C)NC[C@H]1CN(C)CCO1)c1cccc2ccccc21 ZINC000246636432 549180240 /nfs/dbraw/zinc/18/02/40/549180240.db2.gz WGSKXSXMIOGMOV-RYRKJORJSA-N 0 3 355.482 2.326 10 0 FEAEHN CCOc1ccc(NC(=O)CCN2CCN(C[C@H](C)O)[C@H](CC)C2)cc1 ZINC000246746167 549202449 /nfs/dbraw/zinc/20/24/49/549202449.db2.gz GYUALVUHGDDGMJ-FUHWJXTLSA-N 0 3 363.502 2.191 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@]1(C)CCCN1C(=O)c1ccccc1 ZINC000246880684 549234463 /nfs/dbraw/zinc/23/44/63/549234463.db2.gz FZFPJIKCKMMVJP-MMOPVJDHSA-N 0 3 355.482 2.376 10 0 FEAEHN COc1ccccc1C(=O)N[C@H](C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)C(C)C ZINC000247083902 549280193 /nfs/dbraw/zinc/28/01/93/549280193.db2.gz XVLRETRMQUVYSC-KHYOSLBOSA-N 0 3 373.497 2.191 10 0 FEAEHN Cc1ccccc1CN1CCCN(C(=O)CN2[C@H](C)COC[C@H]2C)CC1 ZINC000247105665 549284200 /nfs/dbraw/zinc/28/42/00/549284200.db2.gz VINUUUJMDURIMN-RTBURBONSA-N 0 3 359.514 2.139 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccccc1CSc1nc[nH]n1 ZINC000247136509 549289179 /nfs/dbraw/zinc/28/91/79/549289179.db2.gz QUOYCOMQIQVLAD-ZFWWWQNUSA-N 0 3 357.483 2.406 10 0 FEAEHN C[C@H](O)CN1CCN(CCC(=O)Nc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000247306979 549315668 /nfs/dbraw/zinc/31/56/68/549315668.db2.gz VDMHUNSVXWJHCQ-KBPBESRZSA-N 0 3 373.419 2.421 10 0 FEAEHN CCOCCN1CCN(C[C@@H](O)COc2cc(C)ccc2C)C[C@@H]1CC ZINC000247807429 549382886 /nfs/dbraw/zinc/38/28/86/549382886.db2.gz TUOWRNVDGWEGDL-VQTJNVASSA-N 0 3 364.530 2.476 10 0 FEAEHN CC[C@H]1CN(C[C@@H](O)COc2c(C)cccc2C)CCN1CCOC ZINC000247809441 549383101 /nfs/dbraw/zinc/38/31/01/549383101.db2.gz UJLNGYULZJGNDT-RBUKOAKNSA-N 0 3 350.503 2.086 10 0 FEAEHN CC[C@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2)CCN1CCOC ZINC000247810551 549383728 /nfs/dbraw/zinc/38/37/28/549383728.db2.gz UUISJIBIOXHSNH-DLBZAZTESA-N 0 3 356.894 2.122 10 0 FEAEHN CCOCCN1CCN(C[C@@H](O)COc2ccc(C)cc2C)C[C@@H]1CC ZINC000247813293 549384601 /nfs/dbraw/zinc/38/46/01/549384601.db2.gz VOJOYVKUYBUZDX-VQTJNVASSA-N 0 3 364.530 2.476 10 0 FEAEHN C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000248183145 549414263 /nfs/dbraw/zinc/41/42/63/549414263.db2.gz WTVPNFQIAXIKGZ-KNKQGSTJSA-N 0 3 371.525 2.351 10 0 FEAEHN C[C@H](NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCCO1 ZINC000248671383 549481479 /nfs/dbraw/zinc/48/14/79/549481479.db2.gz QTEFXYMDOUPXQZ-YTQUADARSA-N 0 3 361.486 2.144 10 0 FEAEHN CCO[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCCN2CC)C12CCOCC2 ZINC000248796782 549503428 /nfs/dbraw/zinc/50/34/28/549503428.db2.gz YTBXETFZAUGJPC-GVDBMIGSSA-N 0 3 353.507 2.134 10 0 FEAEHN C[C@@H]1CN(c2ccnc(C(=O)N3C[C@@H]4CCCN4C[C@H]3C)c2)C[C@H](C)O1 ZINC000248972391 549533103 /nfs/dbraw/zinc/53/31/03/549533103.db2.gz PSZXWIZKKJTJEZ-CBZIJGRNSA-N 0 3 358.486 2.004 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(F)ccc1OC(F)F ZINC000249138180 549559243 /nfs/dbraw/zinc/55/92/43/549559243.db2.gz FEOXLMGUBXAXQO-JQWIXIFHSA-N 0 3 371.359 2.061 10 0 FEAEHN CC[C@H](C)NC(=O)[C@@H](C)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000249145327 549560149 /nfs/dbraw/zinc/56/01/49/549560149.db2.gz ZXSFAQDDVRMPFK-GVDBMIGSSA-N 0 3 369.550 2.418 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(OCCF)c1 ZINC000249173538 549564843 /nfs/dbraw/zinc/56/48/43/549564843.db2.gz LQVNBFFKRKWKHO-HOTGVXAUSA-N 0 3 363.433 2.059 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(OC)ccc1Cl ZINC000249244974 549572060 /nfs/dbraw/zinc/57/20/60/549572060.db2.gz XDVKCZMICOCCLR-STQMWFEESA-N 0 3 365.861 2.372 10 0 FEAEHN CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1CCN2CCC[C@H]2C1 ZINC000252692138 549676975 /nfs/dbraw/zinc/67/69/75/549676975.db2.gz RECOUTHWXRVZLN-HNNXBMFYSA-N 0 3 353.413 2.026 10 0 FEAEHN C[C@@H](NC(=O)C1(N)CCOCC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000261654529 549739534 /nfs/dbraw/zinc/73/95/34/549739534.db2.gz ARQYUUVCUNYASP-CQSZACIVSA-N 0 3 368.437 2.019 10 0 FEAEHN NC1(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)CCOCC1 ZINC000261825879 549759765 /nfs/dbraw/zinc/75/97/65/549759765.db2.gz KQRUZAWJOLBVOD-UHFFFAOYSA-N 0 3 370.371 2.033 10 0 FEAEHN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)[C@H](N)C2CCOCC2)cc1 ZINC000261842056 549761863 /nfs/dbraw/zinc/76/18/63/549761863.db2.gz QRQAZINWQXNDOA-VQTJNVASSA-N 0 3 360.498 2.299 10 0 FEAEHN CC(=O)Nc1ccc(-c2csc(NC(=O)C3(N)CCOCC3)n2)cc1 ZINC000261909240 549768608 /nfs/dbraw/zinc/76/86/08/549768608.db2.gz SSDWSQYKAIVSFB-UHFFFAOYSA-N 0 3 360.439 2.215 10 0 FEAEHN CN(C)C(=O)COC[C@@H]1CN(Cc2cccc3[nH]ccc32)CC(C)(C)O1 ZINC000284588988 551584173 /nfs/dbraw/zinc/58/41/73/551584173.db2.gz PZAFUEHUFCYSBV-INIZCTEOSA-N 0 3 359.470 2.252 10 0 FEAEHN CN(Cc1nccc(N)n1)[C@H]1CCCN(Cc2cccc(C(N)=O)c2)CC1 ZINC000328627897 553798998 /nfs/dbraw/zinc/79/89/98/553798998.db2.gz GSVCJYAZACTWQJ-KRWDZBQOSA-N 0 3 368.485 2.429 10 0 FEAEHN Cn1ccnc(N2CCC[C@@H](NCc3ccc4c(c3)CC(C)(C)O4)C2)c1=O ZINC000328633252 553799787 /nfs/dbraw/zinc/79/97/87/553799787.db2.gz LXLNEGVFHIIQCK-QGZVFWFLSA-N 0 3 368.481 2.252 10 0 FEAEHN Cn1cncc1[C@H]1[C@H](CNCc2nc3ccccc3n2C)CCCN1C ZINC000583616515 570809910 /nfs/dbraw/zinc/80/99/10/570809910.db2.gz FSWHAIMCRUVCLO-MGPUTAFESA-N 0 3 352.486 2.480 10 0 FEAEHN Cn1ncc(Cl)c1CNC[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 ZINC000582904732 672045250 /nfs/dbraw/zinc/04/52/50/672045250.db2.gz ISCJWAGUTONHPY-UGSOOPFHSA-N 0 3 359.861 2.310 10 0 FEAEHN CCn1c(-c2cccs2)nn(CN2CCO[C@@H](CN(C)C)C2)c1=S ZINC000152985800 672191735 /nfs/dbraw/zinc/19/17/35/672191735.db2.gz BMPVLBSZFRAHQC-ZDUSSCGKSA-N 0 3 367.544 2.382 10 0 FEAEHN CC1CCN(CCNC(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)CC1 ZINC000187142363 672562700 /nfs/dbraw/zinc/56/27/00/672562700.db2.gz XNGHLJJNKOPLMB-LSDHHAIUSA-N 0 3 357.470 2.182 10 0 FEAEHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(CC)C2)C1 ZINC000195334790 672782282 /nfs/dbraw/zinc/78/22/82/672782282.db2.gz YASRAJWFGHMKLG-GVDBMIGSSA-N 0 3 352.523 2.197 10 0 FEAEHN CC1(CNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)COC1 ZINC000249162075 672867962 /nfs/dbraw/zinc/86/79/62/672867962.db2.gz ZEMSGVGTWNMSKO-HUUCEWRRSA-N 0 3 356.388 2.450 10 0 FEAEHN COCc1cc(=O)[n-]c(-c2ccccc2C[N@@H+]2CC[C@H](n3ccnc3)C2)n1 ZINC000023541645 539715715 /nfs/dbraw/zinc/71/57/15/539715715.db2.gz GUHVCYULKUNREC-KRWDZBQOSA-N 0 3 365.437 2.227 10 0 FEAEHN COCc1cc(=O)[n-]c(-c2ccccc2C[N@H+]2CC[C@H](n3ccnc3)C2)n1 ZINC000023541645 539715717 /nfs/dbraw/zinc/71/57/17/539715717.db2.gz GUHVCYULKUNREC-KRWDZBQOSA-N 0 3 365.437 2.227 10 0 FEAEHN O=C(Cc1ccccc1Cl)NCCNC[C@H](O)COc1ccccc1 ZINC000028263491 539828764 /nfs/dbraw/zinc/82/87/64/539828764.db2.gz PEFMYPBIKFUWCE-INIZCTEOSA-N 0 3 362.857 2.028 10 0 FEAEHN O[C@@H]1[C@@H](CNc2nc3ccccc3s2)C[C@@H](NCc2cccnc2)[C@@H]1O ZINC000225502070 291054926 /nfs/dbraw/zinc/05/49/26/291054926.db2.gz STIYIEHCDIJYNT-UWIFEVILSA-N 0 3 370.478 2.003 10 0 FEAEHN CCN1CCN(Cc2ccc(CNC(=O)N[C@@H](C)[C@H]3CCCO3)cc2)CC1 ZINC000046121097 540243321 /nfs/dbraw/zinc/24/33/21/540243321.db2.gz VZSJDXBHNMOUHZ-FXAWDEMLSA-N 0 3 374.529 2.191 10 0 FEAEHN Brc1cccc(OCCN2CC[C@H](N3CCOCC3)C2)c1 ZINC000062982300 541155999 /nfs/dbraw/zinc/15/59/99/541155999.db2.gz XJXKVMWFGHWRNR-HNNXBMFYSA-N 0 3 355.276 2.234 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)C2CCN(Cc3csc(C)n3)CC2)C1 ZINC000068429930 541590877 /nfs/dbraw/zinc/59/08/77/541590877.db2.gz BPAOUKBACDOWJS-MRXNPFEDSA-N 0 3 350.532 2.264 10 0 FEAEHN CC(=O)c1cccc(OC[C@@H](O)CN2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000247392303 549328063 /nfs/dbraw/zinc/32/80/63/549328063.db2.gz QGUWBCMKPQYUMN-HKUYNNGSSA-N 0 3 369.465 2.458 10 0 FEAEHN CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1ccsc1)C2 ZINC000014745483 220131656 /nfs/dbraw/zinc/13/16/56/220131656.db2.gz WASJOKCQKJXJES-HNNXBMFYSA-N 0 3 374.510 2.084 10 0 FEAEHN COCCN(CCN(C)C)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000074875649 542132769 /nfs/dbraw/zinc/13/27/69/542132769.db2.gz NZYCRICLEXUMHQ-INIZCTEOSA-N 0 3 359.474 2.153 10 0 FEAEHN CCOc1ccc2nc(CN3CCC4(CC3)C(=O)NCCN4C)ccc2c1 ZINC000067676937 221270489 /nfs/dbraw/zinc/27/04/89/221270489.db2.gz RLKKXFNUUINQLY-UHFFFAOYSA-N 0 3 368.481 2.030 10 0 FEAEHN Cc1sc2ncnc(N3CCN(C)[C@@]4(C3)CCNC(=O)CC4)c2c1C ZINC000107398537 132241391 /nfs/dbraw/zinc/24/13/91/132241391.db2.gz DLDBBWVXWNGDRA-GOSISDBHSA-N 0 3 359.499 2.099 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000104327469 543128941 /nfs/dbraw/zinc/12/89/41/543128941.db2.gz WXJJBJRKVRYJSG-LBPRGKRZSA-N 0 3 350.854 2.022 10 0 FEAEHN Cc1ccc(C)c(OC[C@H](O)CN2CCCN(c3cccnn3)CC2)c1C ZINC000106068825 543188256 /nfs/dbraw/zinc/18/82/56/543188256.db2.gz GWKBYXUZLWZADU-LJQANCHMSA-N 0 3 370.497 2.354 10 0 FEAEHN COC(=O)c1cccc(OCCN(C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000106074934 543189652 /nfs/dbraw/zinc/18/96/52/543189652.db2.gz GMCMDONSGXJURP-QGZVFWFLSA-N 0 3 370.453 2.243 10 0 FEAEHN COc1ccc(OC)c(CN(C)C2CCN(CCn3cccn3)CC2)c1 ZINC000106129936 543205357 /nfs/dbraw/zinc/20/53/57/543205357.db2.gz VODXCLNVRMNQND-UHFFFAOYSA-N 0 3 358.486 2.497 10 0 FEAEHN O[C@H](COCc1ccc(Cl)cc1)CN1CCC[C@H](n2cncn2)C1 ZINC000106217913 543219188 /nfs/dbraw/zinc/21/91/88/543219188.db2.gz CWFDNNHZYMZGPI-IRXDYDNUSA-N 0 3 350.850 2.146 10 0 FEAEHN CN(C)CCOc1cccc(CNC(=O)[C@H](Cc2ccccc2)N(C)C)c1 ZINC000106908118 543254848 /nfs/dbraw/zinc/25/48/48/543254848.db2.gz DQPLZMYLEJCETD-NRFANRHFSA-N 0 3 369.509 2.416 10 0 FEAEHN C[C@H](NC(=O)[C@H](C)N1CCO[C@H](CN(C)C)C1)c1cc2ccccc2o1 ZINC000107305400 543265470 /nfs/dbraw/zinc/26/54/70/543265470.db2.gz XZWAQLSAKJNQBI-YQQAZPJKSA-N 0 3 359.470 2.261 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)C1 ZINC000108994225 543309974 /nfs/dbraw/zinc/30/99/74/543309974.db2.gz UZSMOEUVXKAYAX-ZDUSSCGKSA-N 0 3 359.451 2.357 10 0 FEAEHN O=C(c1cccc(CN2CCCC2)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111084813 543380790 /nfs/dbraw/zinc/38/07/90/543380790.db2.gz BZIRDFXOHMOSOR-LJQANCHMSA-N 0 3 354.454 2.020 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000111836820 543418483 /nfs/dbraw/zinc/41/84/83/543418483.db2.gz ZIOLTIVBBUNIEC-UKRRQHHQSA-N 0 3 364.877 2.229 10 0 FEAEHN COc1ccc(Cn2cc(C(=O)N3C[C@H]4CCCN4C[C@@H]3C)cn2)cc1 ZINC000113232811 543478191 /nfs/dbraw/zinc/47/81/91/543478191.db2.gz WXTZHVRYJUFINZ-MAUKXSAKSA-N 0 3 354.454 2.249 10 0 FEAEHN Cc1cnn(CCN[C@H](C)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1 ZINC000113443260 543488025 /nfs/dbraw/zinc/48/80/25/543488025.db2.gz PEXHANGIKRPZFL-LLVKDONJSA-N 0 3 352.341 2.130 10 0 FEAEHN C[C@@H](CNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1)N1CCOCC1 ZINC000113590944 543491560 /nfs/dbraw/zinc/49/15/60/543491560.db2.gz MJWMXCBRCDTAOF-IRXDYDNUSA-N 0 3 362.518 2.136 10 0 FEAEHN Cc1ncc(/C=C/C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)s1 ZINC000114414860 543514503 /nfs/dbraw/zinc/51/45/03/543514503.db2.gz JURBNHIAOHNBMV-FNORWQNLSA-N 0 3 371.510 2.270 10 0 FEAEHN COc1ccc(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)cc1 ZINC000114414788 543514571 /nfs/dbraw/zinc/51/45/71/543514571.db2.gz IJCNQJUFPVZZKL-UHFFFAOYSA-N 0 3 354.454 2.114 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)Cc3cccc(F)c3)CC2)nc1 ZINC000114414164 543514582 /nfs/dbraw/zinc/51/45/82/543514582.db2.gz TXSBTFJKIVPNLP-UHFFFAOYSA-N 0 3 356.445 2.174 10 0 FEAEHN C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCO[C@H](CN(C)C)C1 ZINC000114803120 543537674 /nfs/dbraw/zinc/53/76/74/543537674.db2.gz JQGSOOVCFKVJGY-UONOGXRCSA-N 0 3 371.884 2.088 10 0 FEAEHN Cc1noc(C)c1CC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000115157470 543553093 /nfs/dbraw/zinc/55/30/93/543553093.db2.gz UULUUZKANYEPMK-HXUWFJFHSA-N 0 3 371.481 2.396 10 0 FEAEHN CC[C@H]1CN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CCN1CCOC ZINC000117469317 543632763 /nfs/dbraw/zinc/63/27/63/543632763.db2.gz LBIUSZVWPJTPPL-OALUTQOASA-N 0 3 362.518 2.042 10 0 FEAEHN Cc1cnn([C@@H]2CCCN(Cc3ccccc3OCC(=O)N(C)C)C2)c1 ZINC000123053103 543740333 /nfs/dbraw/zinc/74/03/33/543740333.db2.gz OLCXDBXLOPWRFX-GOSISDBHSA-N 0 3 356.470 2.496 10 0 FEAEHN COc1cccc(CS(=O)(=O)C(C)C(=O)N[C@@H](C)c2ccccc2)n1 ZINC000122663126 543716236 /nfs/dbraw/zinc/71/62/36/543716236.db2.gz ZAUSZTOLZCOECO-UONOGXRCSA-N 0 3 362.451 2.271 10 0 FEAEHN CC(=O)Nc1cc(C(=O)N2CCO[C@H](CN(C)C)C2)cc(C(F)(F)F)c1 ZINC000124965603 543853763 /nfs/dbraw/zinc/85/37/63/543853763.db2.gz TWQDBJRMMWVNJS-OAHLLOKOSA-N 0 3 373.375 2.066 10 0 FEAEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)S(=O)(=O)CCCF ZINC000125720662 543897952 /nfs/dbraw/zinc/89/79/52/543897952.db2.gz HJESSOKHAZCZMK-GOSISDBHSA-N 0 3 372.506 2.053 10 0 FEAEHN COCCN1Cc2ccccc2C2(CCN(C(=O)c3ccno3)CC2)C1 ZINC000096079534 222015694 /nfs/dbraw/zinc/01/56/94/222015694.db2.gz BLNJEMXLNQLBPB-UHFFFAOYSA-N 0 3 355.438 2.311 10 0 FEAEHN CC(=O)N[C@@H]1CCN(C2CCN(c3nnc(-c4ccccc4)s3)CC2)C1 ZINC000096135973 222040030 /nfs/dbraw/zinc/04/00/30/222040030.db2.gz KLNFOFUNJFIRLI-MRXNPFEDSA-N 0 3 371.510 2.384 10 0 FEAEHN O=C(CCN1CC[C@H](N2CCOCC2)C1)Nc1ccccc1C(F)(F)F ZINC000137687561 544392099 /nfs/dbraw/zinc/39/20/99/544392099.db2.gz IQJROPAIHNJKHQ-AWEZNQCLSA-N 0 3 371.403 2.441 10 0 FEAEHN CCC[C@H](C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1)N(C)C ZINC000136574185 544374313 /nfs/dbraw/zinc/37/43/13/544374313.db2.gz VRJVYQFMOBHKFR-GOSISDBHSA-N 0 3 363.477 2.411 10 0 FEAEHN Cc1nc(CN2CCCN(C(=O)CN3CCC(C)CC3)CC2)cs1 ZINC000136776956 544378638 /nfs/dbraw/zinc/37/86/38/544378638.db2.gz FILNYUHXPMBVHW-UHFFFAOYSA-N 0 3 350.532 2.218 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2cccc(-c3cnco3)c2)[C@@H](C)C1 ZINC000150790328 544472046 /nfs/dbraw/zinc/47/20/46/544472046.db2.gz PBAJHUPCQMXSSC-BBRMVZONSA-N 0 3 356.426 2.125 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1OC(F)F ZINC000150802819 544473341 /nfs/dbraw/zinc/47/33/41/544473341.db2.gz LQMAOFZQHAOLRU-GXTWGEPZSA-N 0 3 369.412 2.380 10 0 FEAEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)Nc1cccnn1 ZINC000151755783 544575943 /nfs/dbraw/zinc/57/59/43/544575943.db2.gz LHPYXXZDFSIFJI-SFHVURJKSA-N 0 3 369.469 2.386 10 0 FEAEHN COc1ccc(Cn2cc(C(=O)N3C[C@@H]4CCCN4C[C@@H]3C)cn2)cc1 ZINC000247523450 549349925 /nfs/dbraw/zinc/34/99/25/549349925.db2.gz WXTZHVRYJUFINZ-YJBOKZPZSA-N 0 3 354.454 2.249 10 0 FEAEHN COc1ccc(Cn2cc(C(=O)N3C[C@@H]4CCCN4C[C@H]3C)cn2)cc1 ZINC000247523443 549350286 /nfs/dbraw/zinc/35/02/86/549350286.db2.gz WXTZHVRYJUFINZ-QAPCUYQASA-N 0 3 354.454 2.249 10 0 FEAEHN CCc1ccc([C@H](C)NCC(=O)NCc2ccc(OCC(N)=O)cc2)cc1 ZINC000154936434 544967445 /nfs/dbraw/zinc/96/74/45/544967445.db2.gz GHDUSYWQLBCMRC-HNNXBMFYSA-N 0 3 369.465 2.080 10 0 FEAEHN C[C@@H]1CN(C[C@H](O)Cc2ccccc2C(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000155253225 545006046 /nfs/dbraw/zinc/00/60/46/545006046.db2.gz HKAADJFOCWLTGM-KYJSFNMBSA-N 0 3 372.431 2.261 10 0 FEAEHN CC[C@@H]1CN(C[C@@H](O)COc2cccc3ccccc32)CCN1C[C@H](C)O ZINC000247546381 549353641 /nfs/dbraw/zinc/35/36/41/549353641.db2.gz DMQSWKDYLWVORZ-DFQSSKMNSA-N 0 3 372.509 2.357 10 0 FEAEHN Cc1ncc(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)c(C)n1 ZINC000180495582 327688190 /nfs/dbraw/zinc/68/81/90/327688190.db2.gz ZDBXKBSOCBZSPJ-FQEVSTJZSA-N 0 3 368.481 2.269 10 0 FEAEHN COc1ccc(CN(C)C(=O)[C@H](C)N[C@@H](C)[C@H]2CCCO2)cc1OC ZINC000183123986 327802895 /nfs/dbraw/zinc/80/28/95/327802895.db2.gz CAUFJDGDNGLMQB-OFQRWUPVSA-N 0 3 350.459 2.208 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Cc2nc(-c3ccc(F)cc3)cs2)CCO1 ZINC000186578663 327969244 /nfs/dbraw/zinc/96/92/44/327969244.db2.gz BBYJRPNUKQTTKZ-OAHLLOKOSA-N 0 3 363.458 2.281 10 0 FEAEHN COc1c(CNCCc2ccc(OCC(F)(F)F)nc2)c(C)nn1C ZINC000187570501 328033759 /nfs/dbraw/zinc/03/37/59/328033759.db2.gz FYTPNGRNNMWQLK-UHFFFAOYSA-N 0 3 358.364 2.406 10 0 FEAEHN COc1nc(C)c(Br)cc1C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000188161308 328070203 /nfs/dbraw/zinc/07/02/03/328070203.db2.gz OTPFAYMLJGLZAW-CMPLNLGQSA-N 0 3 368.275 2.470 10 0 FEAEHN Fc1cc(Br)cc(OCCN2CC[C@H](N3CCOCC3)C2)c1 ZINC000189039589 328124983 /nfs/dbraw/zinc/12/49/83/328124983.db2.gz CZUPSONRVIBNCZ-HNNXBMFYSA-N 0 3 373.266 2.374 10 0 FEAEHN CC[C@@H](O)CN1CCN(C(=O)c2cc(-c3ccc(C)cc3C)[nH]n2)CC1 ZINC000189150917 328131414 /nfs/dbraw/zinc/13/14/14/328131414.db2.gz DBKKDINISVZQIF-MRXNPFEDSA-N 0 3 356.470 2.222 10 0 FEAEHN C[C@@H]1[NH2+]CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000189318042 328140738 /nfs/dbraw/zinc/14/07/38/328140738.db2.gz RLAJIFBIHOTOLA-GZMMTYOYSA-N 0 3 351.241 2.007 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CCO1 ZINC000189641011 328159418 /nfs/dbraw/zinc/15/94/18/328159418.db2.gz SZUYPVOVZUPNPN-SNVBAGLBSA-N 0 3 354.863 2.194 10 0 FEAEHN CCOC(=O)[C@@](C)(CNC(=O)N[C@@H]1CCCN(CC)C1)c1ccccc1 ZINC000189733473 328165264 /nfs/dbraw/zinc/16/52/64/328165264.db2.gz HZPOUOLXUQCGCF-XLIONFOSSA-N 0 3 361.486 2.291 10 0 FEAEHN C[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(-n2ccnc2)c1 ZINC000189895286 328174801 /nfs/dbraw/zinc/17/48/01/328174801.db2.gz DTOUQIWCLUCPEY-KDOFPFPSSA-N 0 3 350.426 2.062 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000190101071 328188110 /nfs/dbraw/zinc/18/81/10/328188110.db2.gz XDCWFIHFJNNEBU-NVXWUHKLSA-N 0 3 364.449 2.382 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000190598999 328218904 /nfs/dbraw/zinc/21/89/04/328218904.db2.gz RMDKIHIWOPQVFX-MRXNPFEDSA-N 0 3 353.422 2.404 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]2CSCCS2)C1 ZINC000190644683 328221800 /nfs/dbraw/zinc/22/18/00/328221800.db2.gz ZYPNLWPZCRZKGL-HOTGVXAUSA-N 0 3 351.541 2.211 10 0 FEAEHN COc1cc(CNC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)ccn1 ZINC000190689555 328225168 /nfs/dbraw/zinc/22/51/68/328225168.db2.gz NRCISHUCHINLFZ-SFHVURJKSA-N 0 3 369.469 2.149 10 0 FEAEHN CCC[C@H](C(=O)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1)N(C)C ZINC000191588475 328272930 /nfs/dbraw/zinc/27/29/30/328272930.db2.gz GIBMIBKFWIYZOK-DLBZAZTESA-N 0 3 369.550 2.371 10 0 FEAEHN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NCC(=O)Nc1nccs1 ZINC000191913410 328288509 /nfs/dbraw/zinc/28/85/09/328288509.db2.gz SSZONNAYUIIMEP-NWDGAFQWSA-N 0 3 354.476 2.365 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc(Br)nn1C ZINC000192169041 328304273 /nfs/dbraw/zinc/30/42/73/328304273.db2.gz GBBPQTCOAGHBNK-LBPRGKRZSA-N 0 3 365.275 2.433 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 ZINC000105148637 325558827 /nfs/dbraw/zinc/55/88/27/325558827.db2.gz POXFRRIRDPNWBP-SJORKVTESA-N 0 3 360.502 2.347 10 0 FEAEHN Cc1cnn(CCN[C@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)c1 ZINC000112552297 325791267 /nfs/dbraw/zinc/79/12/67/325791267.db2.gz RTCVTEPEEZCQFA-OAHLLOKOSA-N 0 3 364.877 2.360 10 0 FEAEHN Cc1nc(CN2CCCN(C(=O)NC[C@@H]3CCCN(C)C3)CC2)cs1 ZINC000116548643 326022610 /nfs/dbraw/zinc/02/26/10/326022610.db2.gz ORPFBVLOZBUMFA-INIZCTEOSA-N 0 3 365.547 2.011 10 0 FEAEHN Cc1nc(C(=O)N2CCO[C@@H](CN(C)C)C2)nn1-c1ccccc1C(C)C ZINC000116787466 326035065 /nfs/dbraw/zinc/03/50/65/326035065.db2.gz VUBGMCQWZLAALG-INIZCTEOSA-N 0 3 371.485 2.102 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2cccc(CSc3nccn3C)c2)CCO1 ZINC000116785370 326035305 /nfs/dbraw/zinc/03/53/05/326035305.db2.gz QZCFSMOKTNIGPZ-QGZVFWFLSA-N 0 3 374.510 2.115 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)CCc2ccccc2Br)CCO1 ZINC000116789287 326035573 /nfs/dbraw/zinc/03/55/73/326035573.db2.gz ZOXDPLLVEBAUDD-AWEZNQCLSA-N 0 3 355.276 2.171 10 0 FEAEHN COc1ccccc1Nc1ncccc1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000116793805 326035695 /nfs/dbraw/zinc/03/56/95/326035695.db2.gz AAJMHIDYPKQUKU-OAHLLOKOSA-N 0 3 370.453 2.236 10 0 FEAEHN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000116790875 326035836 /nfs/dbraw/zinc/03/58/36/326035836.db2.gz XRPLIAAWVZDYMN-OLZOCXBDSA-N 0 3 360.376 2.262 10 0 FEAEHN Cc1c(C(=O)N2CCO[C@@H](CN(C)C)C2)cnn1-c1cccc(Cl)c1 ZINC000116791739 326035883 /nfs/dbraw/zinc/03/58/83/326035883.db2.gz OABRVBBDTASRBR-INIZCTEOSA-N 0 3 362.861 2.237 10 0 FEAEHN CC(C)COc1ccc(CCNC(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000117047267 326049160 /nfs/dbraw/zinc/04/91/60/326049160.db2.gz XRSFGEPFFRNWOG-LJQANCHMSA-N 0 3 363.502 2.236 10 0 FEAEHN COc1cccc([C@H](CNC(=O)NCCn2cc(C)cn2)N2CCCC2)c1 ZINC000118054519 326078244 /nfs/dbraw/zinc/07/82/44/326078244.db2.gz LTWRKDCICSPKTR-IBGZPJMESA-N 0 3 371.485 2.336 10 0 FEAEHN Cc1cc(C)n(-c2ccccc2NC(=O)N2CCO[C@H](CN(C)C)C2)n1 ZINC000118800662 326103220 /nfs/dbraw/zinc/10/32/20/326103220.db2.gz VIOHYFQFLYNIBM-MRXNPFEDSA-N 0 3 357.458 2.283 10 0 FEAEHN O=C(CCOc1ccccc1F)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000119678080 326186811 /nfs/dbraw/zinc/18/68/11/326186811.db2.gz LXQAWJSAJCONTG-SFHVURJKSA-N 0 3 372.440 2.130 10 0 FEAEHN Cc1ccc(C(=O)N[C@H](CC(C)C)CN(C)C)cc1NS(C)(=O)=O ZINC000120240499 326243396 /nfs/dbraw/zinc/24/33/96/326243396.db2.gz PYRUWJBFHXAIAE-OAHLLOKOSA-N 0 3 355.504 2.073 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCC[S@](=O)Cc1ccccc1 ZINC000120309888 326248434 /nfs/dbraw/zinc/24/84/34/326248434.db2.gz SODXWKSGQKNQIS-MZNJEOGPSA-N 0 3 353.532 2.211 10 0 FEAEHN COCc1ccc(CN2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)cc1 ZINC000121039611 326308533 /nfs/dbraw/zinc/30/85/33/326308533.db2.gz RRNROFMSXXXWBN-NRFANRHFSA-N 0 3 361.530 2.060 10 0 FEAEHN CC1(C)C[C@H](NC(=O)NC[C@@H](O)CN2CCCCC2)c2ccccc2O1 ZINC000121068330 326310715 /nfs/dbraw/zinc/31/07/15/326310715.db2.gz JFIULZYEQXQRIV-WBVHZDCISA-N 0 3 361.486 2.435 10 0 FEAEHN CN(C)C[C@H]1CN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)CCO1 ZINC000121268469 326325931 /nfs/dbraw/zinc/32/59/31/326325931.db2.gz SVCKYFLOLVLOJU-AWEZNQCLSA-N 0 3 362.499 2.439 10 0 FEAEHN Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H](N(C)C)C2)sc1Br ZINC000124015209 326446405 /nfs/dbraw/zinc/44/64/05/326446405.db2.gz JNKXDVXYCIGCFG-VHSXEESVSA-N 0 3 367.334 2.390 10 0 FEAEHN COc1cc(C(=O)N(C)CC2CCN(C[C@H](O)c3ccccc3)CC2)on1 ZINC000126508618 326490348 /nfs/dbraw/zinc/49/03/48/326490348.db2.gz IWINHPVSYSAKPW-KRWDZBQOSA-N 0 3 373.453 2.201 10 0 FEAEHN CN(C)C[C@@H]1CN(Cc2csc(-c3ccc4c(c3)OCO4)n2)CCO1 ZINC000128084555 326517647 /nfs/dbraw/zinc/51/76/47/326517647.db2.gz BDZMZTKDOQQYBS-OAHLLOKOSA-N 0 3 361.467 2.301 10 0 FEAEHN C[C@@H](CC(=O)N[C@@H](CN)C1CCCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000155624058 326796949 /nfs/dbraw/zinc/79/69/49/326796949.db2.gz NSWULUUFTGGBQK-GUYCJALGSA-N 0 3 370.490 2.402 10 0 FEAEHN CN(C)Cc1cccc(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000156642942 326838999 /nfs/dbraw/zinc/83/89/99/326838999.db2.gz HRGCXFVUHUTUQP-GOSISDBHSA-N 0 3 353.470 2.279 10 0 FEAEHN C[C@@H](C(=O)N1CCO[C@@H](CN(C)C)C1)c1ccc(Br)cc1 ZINC000163044633 327041507 /nfs/dbraw/zinc/04/15/07/327041507.db2.gz RDLLSJYMWWGILU-DOMZBBRYSA-N 0 3 355.276 2.342 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000170694211 327094425 /nfs/dbraw/zinc/09/44/25/327094425.db2.gz HKCARZNJJCEHGP-GBESFXJTSA-N 0 3 361.486 2.053 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)C1 ZINC000170835585 327101371 /nfs/dbraw/zinc/10/13/71/327101371.db2.gz HHXXOSREWREDEM-SFHVURJKSA-N 0 3 367.453 2.179 10 0 FEAEHN CCCOc1ccc(NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)cc1Cl ZINC000170843581 327102329 /nfs/dbraw/zinc/10/23/29/327102329.db2.gz CUJYDURLTKJRPF-CYBMUJFWSA-N 0 3 353.850 2.230 10 0 FEAEHN C[C@H](NC(=O)N(C)C1CCN(CCc2ccccn2)CC1)[C@@H]1CCCO1 ZINC000171042513 327114036 /nfs/dbraw/zinc/11/40/36/327114036.db2.gz ZQGOYNSRQXAKNM-LPHOPBHVSA-N 0 3 360.502 2.297 10 0 FEAEHN C[C@@H]1CN(Cc2ccccc2NC(=O)N2CC[C@H](N(C)C)C2)C[C@H](C)O1 ZINC000171078332 327116117 /nfs/dbraw/zinc/11/61/17/327116117.db2.gz QHDURURSHMYRPN-JZXOWHBKSA-N 0 3 360.502 2.464 10 0 FEAEHN Cc1ccccc1CN1CCC(NC(=O)CN2[C@H](C)COC[C@H]2C)CC1 ZINC000172667381 327214119 /nfs/dbraw/zinc/21/41/19/327214119.db2.gz JUJSJONSAPUSPN-QZTJIDSGSA-N 0 3 359.514 2.185 10 0 FEAEHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000172907452 327225794 /nfs/dbraw/zinc/22/57/94/327225794.db2.gz ULDJKWCELJQNKV-ARFHVFGLSA-N 0 3 351.491 2.377 10 0 FEAEHN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1 ZINC000173438595 327256965 /nfs/dbraw/zinc/25/69/65/327256965.db2.gz GTJDBCVJRYOZEU-YTQUADARSA-N 0 3 355.482 2.181 10 0 FEAEHN O=C(NCC1CCN(C[C@H](O)c2ccccc2)CC1)[C@@H](O)c1ccccc1 ZINC000173468151 327259340 /nfs/dbraw/zinc/25/93/40/327259340.db2.gz DKSZTFJRFAZMJK-SFTDATJTSA-N 0 3 368.477 2.282 10 0 FEAEHN C[C@@H](COCc1ccccc1)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000173531449 327264266 /nfs/dbraw/zinc/26/42/66/327264266.db2.gz ZCJOHNRJUAXJPL-INIZCTEOSA-N 0 3 369.465 2.408 10 0 FEAEHN CCCCNC(=O)[C@H](C)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000173647103 327273595 /nfs/dbraw/zinc/27/35/95/327273595.db2.gz PBFWVWHZBFKJPA-PMPSAXMXSA-N 0 3 353.532 2.404 10 0 FEAEHN Clc1ccc(-c2noc(CCN3CC[C@H](N4CCOCC4)C3)n2)cc1 ZINC000173922127 327294546 /nfs/dbraw/zinc/29/45/46/327294546.db2.gz QRVGLUQULMCMKJ-INIZCTEOSA-N 0 3 362.861 2.339 10 0 FEAEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000173944171 327296587 /nfs/dbraw/zinc/29/65/87/327296587.db2.gz ZVLMTIPUKPHBIW-HNNXBMFYSA-N 0 3 359.478 2.164 10 0 FEAEHN COCC[C@H](C)NC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000174544825 327333930 /nfs/dbraw/zinc/33/39/30/327333930.db2.gz JVGMGZNORGWOKS-LPHOPBHVSA-N 0 3 363.502 2.156 10 0 FEAEHN Cc1ccc([C@@H](CN[C@@H](C)C(=O)N(C)C(C)C)N2CCOCC2)s1 ZINC000175198128 327379487 /nfs/dbraw/zinc/37/94/87/327379487.db2.gz YWCQMHBDYCDFHW-JKSUJKDBSA-N 0 3 353.532 2.275 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)Nc1ccnn1Cc1cccs1 ZINC000175332703 327387586 /nfs/dbraw/zinc/38/75/86/327387586.db2.gz KLRPRKXBBGHJHJ-OAHLLOKOSA-N 0 3 361.515 2.348 10 0 FEAEHN CN(c1ccccc1)c1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cn1 ZINC000178506252 327589267 /nfs/dbraw/zinc/58/92/67/327589267.db2.gz IOSIPMBQTIPCHS-LJQANCHMSA-N 0 3 368.481 2.426 10 0 FEAEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000246781813 328644891 /nfs/dbraw/zinc/64/48/91/328644891.db2.gz STOFGWBICFBTHY-BZUAXINKSA-N 0 3 351.491 2.377 10 0 FEAEHN NC[C@H]1CCCCN1S(=O)(=O)c1ccccc1C(=O)c1ccccc1 ZINC000262366512 328861564 /nfs/dbraw/zinc/86/15/64/328861564.db2.gz WDHMXAZEVHPYBI-MRXNPFEDSA-N 0 3 358.463 2.420 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2csc(Cc3ccc(F)cc3)n2)n1 ZINC000263172337 328922101 /nfs/dbraw/zinc/92/21/01/328922101.db2.gz FWOQJZDIUWMSEY-CQSZACIVSA-N 0 3 359.430 2.499 10 0 FEAEHN Cc1cc(C)n(-c2ccc(Cl)c(-c3nc([C@@H]4CNCCN4C)no3)n2)n1 ZINC000263242424 328927618 /nfs/dbraw/zinc/92/76/18/328927618.db2.gz OVJMOGNPVMWTDQ-ZDUSSCGKSA-N 0 3 373.848 2.164 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2ccc(OCc3ccncc3)cc2)n1 ZINC000263275999 328929709 /nfs/dbraw/zinc/92/97/09/328929709.db2.gz SWJQHSOGPXVNDZ-KRWDZBQOSA-N 0 3 351.410 2.287 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2c(F)cc(Br)cc2F)n1 ZINC000263308856 328931915 /nfs/dbraw/zinc/93/19/15/328931915.db2.gz YHOLIVASORSVJC-JTQLQIEISA-N 0 3 359.174 2.353 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(/C=C/c2cc(Cl)c3c(c2)OCCO3)n1 ZINC000263311384 328932156 /nfs/dbraw/zinc/93/21/56/328932156.db2.gz YTJSVUVALVUZKZ-YWVDXFKGSA-N 0 3 362.817 2.241 10 0 FEAEHN CC(C)Cc1ccc([C@@H](C)NC(=O)CN2CCO[C@H](CN(C)C)C2)cc1 ZINC000155335538 545513747 /nfs/dbraw/zinc/51/37/47/545513747.db2.gz SYBAKMRQAVRBMV-YLJYHZDGSA-N 0 3 361.530 2.325 10 0 FEAEHN O=C(CN1CCCC1)N1CCN(c2ccnc3c(F)cc(F)cc23)CC1 ZINC000159253596 545936096 /nfs/dbraw/zinc/93/60/96/545936096.db2.gz YICNELPFGIVZIY-UHFFFAOYSA-N 0 3 360.408 2.257 10 0 FEAEHN O=[S@](CCNC[C@@H](O)COc1ccccc1)c1ccc(Cl)cc1 ZINC000169345716 546159254 /nfs/dbraw/zinc/15/92/54/546159254.db2.gz HTMNZNNFZCIVGO-IQMFZBJNSA-N 0 3 353.871 2.477 10 0 FEAEHN O=C(NCc1ccc(OCC(F)(F)F)nc1)N1CCN2CCC[C@@H]2C1 ZINC000171900493 546229880 /nfs/dbraw/zinc/22/98/80/546229880.db2.gz NFBWJGMJGBSGLJ-CYBMUJFWSA-N 0 3 358.364 2.012 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000176179086 546416844 /nfs/dbraw/zinc/41/68/44/546416844.db2.gz RNJFDYPVYCZLQZ-LJQANCHMSA-N 0 3 372.513 2.417 10 0 FEAEHN CC[C@H](CNC(=O)NC[C@H](O)CN1CCCCC1)Oc1ccccc1C ZINC000176905357 546504864 /nfs/dbraw/zinc/50/48/64/546504864.db2.gz AQVMPICWGDUCJU-ZWKOTPCHSA-N 0 3 363.502 2.298 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2ccc(N3CCSCC3)cc2)CCO1 ZINC000177170265 546560832 /nfs/dbraw/zinc/56/08/32/546560832.db2.gz FJCMTGPKIVWGGT-QGZVFWFLSA-N 0 3 364.515 2.034 10 0 FEAEHN CC(C)CNC(=O)c1cccc(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000177226478 546574898 /nfs/dbraw/zinc/57/48/98/546574898.db2.gz YHLLNCFCVNFSHY-PXNSSMCTSA-N 0 3 359.514 2.225 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1cccc(CN2CCCC2=O)c1 ZINC000177364079 546601862 /nfs/dbraw/zinc/60/18/62/546601862.db2.gz KGWPTCQESSSZPW-IBGZPJMESA-N 0 3 372.513 2.435 10 0 FEAEHN COC(=O)[C@]1(C)CCN(C[C@H](O)COc2cccc(Br)c2)C1 ZINC000177431444 546616375 /nfs/dbraw/zinc/61/63/75/546616375.db2.gz XUMPCFXNQMFNJB-XJKSGUPXSA-N 0 3 372.259 2.074 10 0 FEAEHN CC(C)N(C)CC(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000177455606 546623303 /nfs/dbraw/zinc/62/33/03/546623303.db2.gz WAKJQDMFMHYZRX-FQEVSTJZSA-N 0 3 361.530 2.231 10 0 FEAEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)c1ccc[nH]c1=O ZINC000177470723 546626362 /nfs/dbraw/zinc/62/63/62/546626362.db2.gz NOKKUOYNTDMSCZ-LJQANCHMSA-N 0 3 369.465 2.305 10 0 FEAEHN Cc1cc(C(=O)N(C)CC2CCN(C[C@H](O)c3ccccc3)CC2)[nH]n1 ZINC000177472262 546626399 /nfs/dbraw/zinc/62/63/99/546626399.db2.gz ATRBQHIFIJRFIE-IBGZPJMESA-N 0 3 356.470 2.236 10 0 FEAEHN Cc1cc(C(=O)N(C)CC2CCN(C[C@H](O)c3ccccc3)CC2)n[nH]1 ZINC000177472262 546626401 /nfs/dbraw/zinc/62/64/01/546626401.db2.gz ATRBQHIFIJRFIE-IBGZPJMESA-N 0 3 356.470 2.236 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCCCc1nnc2n1CCCCC2 ZINC000177487263 546629180 /nfs/dbraw/zinc/62/91/80/546629180.db2.gz VPGPIBDYZDCWTP-INIZCTEOSA-N 0 3 362.522 2.063 10 0 FEAEHN O=C(Nc1ccc(CC(F)(F)F)cc1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177682215 546666141 /nfs/dbraw/zinc/66/61/41/546666141.db2.gz CTIOQYYGCWTQNT-CQSZACIVSA-N 0 3 355.360 2.037 10 0 FEAEHN CCCn1ccc2ccc(NC(=O)C(=O)N3CCN4CCC[C@@H]4C3)cc21 ZINC000177688670 546667910 /nfs/dbraw/zinc/66/79/10/546667910.db2.gz IDXZZEDPFGMMFI-QGZVFWFLSA-N 0 3 354.454 2.296 10 0 FEAEHN CCN1CCC[C@H]1CN(C)CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000177704996 546671794 /nfs/dbraw/zinc/67/17/94/546671794.db2.gz NKTQOKDAKXOVFE-SFHVURJKSA-N 0 3 374.529 2.083 10 0 FEAEHN COc1ccc(Br)c(CC(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000178107680 546740529 /nfs/dbraw/zinc/74/05/29/546740529.db2.gz UEECXVQGZLWGPY-ZDUSSCGKSA-N 0 3 353.260 2.307 10 0 FEAEHN COc1ccc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1OC(F)F ZINC000180230544 547069975 /nfs/dbraw/zinc/06/99/75/547069975.db2.gz QEGLJYHNYJNSSD-HIFRSBDPSA-N 0 3 356.413 2.449 10 0 FEAEHN CCN1CCC[C@@H](NC2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)C1 ZINC000180493773 547119075 /nfs/dbraw/zinc/11/90/75/547119075.db2.gz LBHPERTWEPGDGF-OAHLLOKOSA-N 0 3 354.491 2.112 10 0 FEAEHN CCN1CCN(C(=O)[C@@H](C)N[C@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000180668799 547154774 /nfs/dbraw/zinc/15/47/74/547154774.db2.gz LKSIFEWSXYJTNI-IAGOWNOFSA-N 0 3 355.486 2.076 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(OC)c(Br)n1 ZINC000181248465 547280308 /nfs/dbraw/zinc/28/03/08/547280308.db2.gz VOTRGNSQDFIVTB-NSHDSACASA-N 0 3 356.264 2.409 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCCC(=O)N1CCCCC1 ZINC000181294064 547287878 /nfs/dbraw/zinc/28/78/78/547287878.db2.gz GHNNBGVHZWSGDG-KRWDZBQOSA-N 0 3 360.502 2.209 10 0 FEAEHN CC(C)c1nnc2n1C[C@@H](NC(=O)N(CCN(C)C)Cc1ccco1)CC2 ZINC000181714814 547366138 /nfs/dbraw/zinc/36/61/38/547366138.db2.gz SMHQNNMALFXBRS-HNNXBMFYSA-N 0 3 374.489 2.083 10 0 FEAEHN O=C(Cc1ccncc1)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000182066226 547431534 /nfs/dbraw/zinc/43/15/34/547431534.db2.gz JPWLLKATZWAMDP-FQEVSTJZSA-N 0 3 353.466 2.186 10 0 FEAEHN CN(C)C[C@@H]1CN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CCO1 ZINC000182149256 547444467 /nfs/dbraw/zinc/44/44/67/547444467.db2.gz LYQNJEFMNJOFGY-CQSZACIVSA-N 0 3 370.284 2.337 10 0 FEAEHN CN(C)CCOc1cc(CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)ccn1 ZINC000183403497 547651308 /nfs/dbraw/zinc/65/13/08/547651308.db2.gz MNMWOJADSJOTKU-KRWDZBQOSA-N 0 3 372.473 2.182 10 0 FEAEHN COC(=O)COc1ccccc1[C@H](C)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000183771197 547717739 /nfs/dbraw/zinc/71/77/39/547717739.db2.gz ZNQSRKWOAVOYPN-JKSUJKDBSA-N 0 3 370.453 2.348 10 0 FEAEHN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000186051340 548077597 /nfs/dbraw/zinc/07/75/97/548077597.db2.gz OXWJOEROULLGAD-DLBZAZTESA-N 0 3 374.510 2.206 10 0 FEAEHN CC[C@H](O)CN1CCN(C(=O)c2cc(-c3ccc(C)c(C)c3)[nH]n2)CC1 ZINC000186692769 548175082 /nfs/dbraw/zinc/17/50/82/548175082.db2.gz NAMNHUKXHGGEOE-KRWDZBQOSA-N 0 3 356.470 2.222 10 0 FEAEHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CC[C@H](c2ccccc2)C1 ZINC000194646473 548511419 /nfs/dbraw/zinc/51/14/19/548511419.db2.gz GFMWFZZSTCRLIO-IRXDYDNUSA-N 0 3 350.418 2.133 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC000195255168 548604178 /nfs/dbraw/zinc/60/41/78/548604178.db2.gz XNRWEPLJBWXZCV-HOTGVXAUSA-N 0 3 352.548 2.461 10 0 FEAEHN Cc1cc(NC(=O)CN2CC[C@@H](CN(C)Cc3scnc3C)C2)on1 ZINC000195258520 548605157 /nfs/dbraw/zinc/60/51/57/548605157.db2.gz UOMXMMGPHRKRQJ-AWEZNQCLSA-N 0 3 363.487 2.140 10 0 FEAEHN COC(=O)[C@H]1CCCN(C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000245404460 548908005 /nfs/dbraw/zinc/90/80/05/548908005.db2.gz PHCHEZYBCPTKIL-GXTWGEPZSA-N 0 3 372.259 2.074 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000245414817 548912213 /nfs/dbraw/zinc/91/22/13/548912213.db2.gz FBBNYBARILWRJY-GDBMZVCRSA-N 0 3 367.515 2.277 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000245438643 548920266 /nfs/dbraw/zinc/92/02/66/548920266.db2.gz YIYZLVWVHJAVEQ-PMACEKPBSA-N 0 3 371.525 2.410 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000245755389 548989629 /nfs/dbraw/zinc/98/96/29/548989629.db2.gz HLHAYWFFSOQDRA-KBRIMQKVSA-N 0 3 352.429 2.056 10 0 FEAEHN CC[C@H]1CN(Cc2ccc(O[C@H](C)C(=O)OC)cc2)CCN1CCOC ZINC000245799591 548997629 /nfs/dbraw/zinc/99/76/29/548997629.db2.gz XRBCAJKDWFMYQV-AEFFLSMTSA-N 0 3 364.486 2.170 10 0 FEAEHN Cc1nc(C[C@@H]2CCCN(C[C@@H](O)COCc3ccccc3F)C2)no1 ZINC000245849949 549003890 /nfs/dbraw/zinc/00/38/90/549003890.db2.gz LHXWDIZLNFXIRN-DOTOQJQBSA-N 0 3 363.433 2.349 10 0 FEAEHN O=C(CCN1CCO[C@@H]2CCCC[C@H]21)Nc1ccc(N2CCOCC2)cc1 ZINC000246174564 549069849 /nfs/dbraw/zinc/06/98/49/549069849.db2.gz SYOMHMYARWTTGS-WOJBJXKFSA-N 0 3 373.497 2.495 10 0 FEAEHN CCn1cnnc1[C@@H]1CCCN(C[C@@H](O)COCc2cccc(OC)c2)C1 ZINC000246190599 549072942 /nfs/dbraw/zinc/07/29/42/549072942.db2.gz KSRVIUAWBCEFPP-QZTJIDSGSA-N 0 3 374.485 2.064 10 0 FEAEHN C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCN2CCCC[C@H]2C1 ZINC000246218650 549081363 /nfs/dbraw/zinc/08/13/63/549081363.db2.gz QADQJLSYFPWSHZ-HOCLYGCPSA-N 0 3 353.474 2.429 10 0 FEAEHN COc1cccc([C@@H](CNc2cc(N3CCC[C@H]3CO)ncn2)N(C)C)c1 ZINC000246222605 549082598 /nfs/dbraw/zinc/08/25/98/549082598.db2.gz ZGUDMXMEPKJKSP-FUHWJXTLSA-N 0 3 371.485 2.161 10 0 FEAEHN COc1cc(NC(=O)CN2CCN3CCC[C@H]3C2)c(OC)cc1Cl ZINC000246266489 549092528 /nfs/dbraw/zinc/09/25/28/549092528.db2.gz GVXRZKKRAKUNIY-LBPRGKRZSA-N 0 3 353.850 2.076 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2OC(F)(F)F)C1 ZINC000246302942 549099614 /nfs/dbraw/zinc/09/96/14/549099614.db2.gz DEVJMLLZIVCGLZ-DGCLKSJQSA-N 0 3 373.375 2.369 10 0 FEAEHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCC[C@]2(CC=CCC2)C1 ZINC000246424835 549130655 /nfs/dbraw/zinc/13/06/55/549130655.db2.gz UHPBZBWWSGYRHY-HRAATJIYSA-N 0 3 354.450 2.466 10 0 FEAEHN COCCN1CCN(C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C[C@H]1C ZINC000246748258 549202546 /nfs/dbraw/zinc/20/25/46/549202546.db2.gz XFNNYNADCLBUGP-MDZRGWNJSA-N 0 3 370.921 2.431 10 0 FEAEHN Cc1cccc(OC[C@H](O)CN(C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000246747763 549203377 /nfs/dbraw/zinc/20/33/77/549203377.db2.gz XDUXLRCOLNNFES-ZWKOTPCHSA-N 0 3 356.470 2.126 10 0 FEAEHN CCO[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCN2CCOC)C12CCCC2 ZINC000246896395 549237957 /nfs/dbraw/zinc/23/79/57/549237957.db2.gz CHJZZYXAOJGKKX-FGTMMUONSA-N 0 3 367.534 2.476 10 0 FEAEHN C[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)N1CCOCC1 ZINC000246938490 549246864 /nfs/dbraw/zinc/24/68/64/549246864.db2.gz JNBWWEMTAQZLDT-OALUTQOASA-N 0 3 374.529 2.013 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N[C@H]2CCCN(c3cccc(OC)c3)C2)C1 ZINC000247121573 549286516 /nfs/dbraw/zinc/28/65/16/549286516.db2.gz NZWXPVMBKJDQNT-SJORKVTESA-N 0 3 360.502 2.448 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N(C)Cc2ccccc2N2CCOCC2)C1 ZINC000247358913 549324836 /nfs/dbraw/zinc/32/48/36/549324836.db2.gz OLDJTTWQUJIRRL-IEBWSBKVSA-N 0 3 374.529 2.393 10 0 FEAEHN CN(C)[C@@H](CNC(=O)N1CCN2CCC[C@H]2C1)c1ccccc1Cl ZINC000247596886 549364889 /nfs/dbraw/zinc/36/48/89/549364889.db2.gz SPHJJWGAFZGQEA-YOEHRIQHSA-N 0 3 350.894 2.432 10 0 FEAEHN CC[C@H]1CN(C[C@@H](O)COCc2ccc(Cl)cc2)CCN1CCOC ZINC000247810544 549382741 /nfs/dbraw/zinc/38/27/41/549382741.db2.gz UUEOZNXZAWVYDJ-RBUKOAKNSA-N 0 3 370.921 2.260 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(OC)c(F)c1C ZINC000248387971 549425586 /nfs/dbraw/zinc/42/55/86/549425586.db2.gz QBPBLAASGFHUPP-KBPBESRZSA-N 0 3 356.463 2.390 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000248469466 549446979 /nfs/dbraw/zinc/44/69/79/549446979.db2.gz UQORQGXXQGCRND-OLZOCXBDSA-N 0 3 360.426 2.188 10 0 FEAEHN Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000248593797 549464813 /nfs/dbraw/zinc/46/48/13/549464813.db2.gz SDIBVLLLWUAOBL-CVEARBPZSA-N 0 3 364.877 2.392 10 0 FEAEHN COc1cc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)ccc1Cl ZINC000248678477 549483466 /nfs/dbraw/zinc/48/34/66/549483466.db2.gz LUAWOYQKNYSQLC-SMDDNHRTSA-N 0 3 353.850 2.132 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCCN2CC)C12CCOCC2 ZINC000248796799 549503621 /nfs/dbraw/zinc/50/36/21/549503621.db2.gz YTBXETFZAUGJPC-YESZJQIVSA-N 0 3 353.507 2.134 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cnc(Cl)cc1C ZINC000249148947 549561487 /nfs/dbraw/zinc/56/14/87/549561487.db2.gz GWTGBJXEDMUAJC-OLZOCXBDSA-N 0 3 350.850 2.067 10 0 FEAEHN CN(C[C@H](O)Cn1cccn1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249761466 549625693 /nfs/dbraw/zinc/62/56/93/549625693.db2.gz XSWBCSGTMBQXRB-XZJROXQQSA-N 0 3 356.253 2.141 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000261749007 549751560 /nfs/dbraw/zinc/75/15/60/549751560.db2.gz MOHZPGMWENTQQZ-VMGRFDJRSA-N 0 3 366.303 2.318 10 0 FEAEHN NC1(C(=O)NCc2ccc(CN3CCc4ccccc43)cc2)CCOCC1 ZINC000261765991 549753269 /nfs/dbraw/zinc/75/32/69/549753269.db2.gz GIQVRJSEDXNRNG-UHFFFAOYSA-N 0 3 365.477 2.373 10 0 FEAEHN COCCSc1ccc([C@H](C)NC(=O)[C@@H](N)C2CCOCC2)cc1 ZINC000262006461 549778930 /nfs/dbraw/zinc/77/89/30/549778930.db2.gz NVIIOPYJXQEQPB-GUYCJALGSA-N 0 3 352.500 2.356 10 0 FEAEHN O=C([C@H]1CC(F)(F)CN1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000262954793 549865443 /nfs/dbraw/zinc/86/54/43/549865443.db2.gz KCUOYOBIZGFLDB-IEBWSBKVSA-N 0 3 363.452 2.498 10 0 FEAEHN Cc1ccc(Nc2cccc(-c3nc([C@@H]4CNCCN4C)no3)c2)nn1 ZINC000263184925 549884100 /nfs/dbraw/zinc/88/41/00/549884100.db2.gz HEIYRXMGEOYMDV-HNNXBMFYSA-N 0 3 351.414 2.155 10 0 FEAEHN CN1CCNC[C@H]1c1noc(Cc2csc(Cc3ccccc3)n2)n1 ZINC000263214460 549886366 /nfs/dbraw/zinc/88/63/66/549886366.db2.gz KRVYQELQHJKCTR-HNNXBMFYSA-N 0 3 355.467 2.284 10 0 FEAEHN CN1CCNC[C@H]1c1noc(COc2ccc(Br)cc2F)n1 ZINC000263214235 549886465 /nfs/dbraw/zinc/88/64/65/549886465.db2.gz KOSXWWFEWKWPGN-NSHDSACASA-N 0 3 371.210 2.126 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2ccc(C(=O)NCC(C)(C)C)cc2)n1 ZINC000263262168 549890168 /nfs/dbraw/zinc/89/01/68/549890168.db2.gz RBUBHFSNROBMQU-HNNXBMFYSA-N 0 3 357.458 2.089 10 0 FEAEHN CN(c1ccccc1)c1ccc(-c2nc([C@H]3CNCCN3C)no2)cn1 ZINC000263260591 549890220 /nfs/dbraw/zinc/89/02/20/549890220.db2.gz QWWCQZXAGQSVCW-MRXNPFEDSA-N 0 3 350.426 2.476 10 0 FEAEHN CN1CCNC[C@H]1c1noc([C@H]2CCCCN2C(=O)c2cccs2)n1 ZINC000263314557 549894066 /nfs/dbraw/zinc/89/40/66/549894066.db2.gz ZGQDFTVZIKDFHA-OLZOCXBDSA-N 0 3 361.471 2.075 10 0 FEAEHN CCOC(=O)[C@@H]1CC[C@@H](NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C[C@@H]1C ZINC000263510766 549906488 /nfs/dbraw/zinc/90/64/88/549906488.db2.gz NICMEZMPBGIFFF-MPHSKAIDSA-N 0 3 366.502 2.272 10 0 FEAEHN CCOC(=O)[C@@H]1CC[C@@H](NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)C[C@@H]1C ZINC000263510766 549906490 /nfs/dbraw/zinc/90/64/90/549906490.db2.gz NICMEZMPBGIFFF-MPHSKAIDSA-N 0 3 366.502 2.272 10 0 FEAEHN CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC(N(CC(=O)[O-])CC3CC3)C2)C[C@@H]1C ZINC000263510766 549906492 /nfs/dbraw/zinc/90/64/92/549906492.db2.gz NICMEZMPBGIFFF-MPHSKAIDSA-N 0 3 366.502 2.272 10 0 FEAEHN Brc1ccc(N2CCNCC2)cc1I ZINC000301001031 553618015 /nfs/dbraw/zinc/61/80/15/553618015.db2.gz XTYYLYRJHLJKFD-UHFFFAOYSA-N 0 3 367.028 2.463 10 0 FEAEHN Cn1ncc(N2CCC[C@H](N3CCCCCC3)C2)c(Br)c1=O ZINC000301246137 553634944 /nfs/dbraw/zinc/63/49/44/553634944.db2.gz PZITULYAWNLJHI-ZDUSSCGKSA-N 0 3 369.307 2.388 10 0 FEAEHN Cn1cc([C@H]2[C@H](CNCc3csc(C(C)(C)C)n3)CC(=O)N2C)cn1 ZINC000328627590 553798653 /nfs/dbraw/zinc/79/86/53/553798653.db2.gz MYMWECOABMSKIV-BLLLJJGKSA-N 0 3 361.515 2.483 10 0 FEAEHN CN1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000332785664 554515152 /nfs/dbraw/zinc/51/51/52/554515152.db2.gz FKTCSYFRPABSEL-IZBXYKSJSA-N 0 3 373.541 2.404 10 0 FEAEHN C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)[C@H]1C ZINC000375469051 558032920 /nfs/dbraw/zinc/03/29/20/558032920.db2.gz LGEWHBDHWNTHNV-ABUMYXEMSA-N 0 3 352.519 2.179 10 0 FEAEHN CNc1nc(C)cc(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)n1 ZINC000379693715 558602325 /nfs/dbraw/zinc/60/23/25/558602325.db2.gz MDZOZIKZZJSSAD-QGZVFWFLSA-N 0 3 353.470 2.611 10 0 FEAEHN CC(C)c1cc(C(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cncn2C)n[nH]1 ZINC000583619608 570808988 /nfs/dbraw/zinc/80/89/88/570808988.db2.gz GQUQVEGVQKKBHU-KBXCAEBGSA-N 0 3 358.490 2.422 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000114825233 670893617 /nfs/dbraw/zinc/89/36/17/670893617.db2.gz SDSRZACWMZSFBD-HUUCEWRRSA-N 0 3 354.495 2.169 10 0 FEAEHN CC[C@H]1CN(Cn2nc(-c3ccncc3)oc2=S)CCN1CCOC ZINC000117325332 670914832 /nfs/dbraw/zinc/91/48/32/670914832.db2.gz ZONRZWTVWFEUJJ-HNNXBMFYSA-N 0 3 363.487 2.268 10 0 FEAEHN CC[C@H]1CN(Cn2ncn(-c3ccccc3)c2=S)CCN1CCOC ZINC000117324754 670914849 /nfs/dbraw/zinc/91/48/49/670914849.db2.gz ZYCNAWQPBKWNFB-INIZCTEOSA-N 0 3 361.515 2.403 10 0 FEAEHN COc1ccc(-n2ccn(CN3CCO[C@@H](CN(C)C)C3)c2=S)cc1 ZINC000153007683 672192074 /nfs/dbraw/zinc/19/20/74/672192074.db2.gz RBMDXOPDLMMXMF-KRWDZBQOSA-N 0 3 362.499 2.237 10 0 FEAEHN CC[C@H](O)CN1CCN(C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000174071117 672357670 /nfs/dbraw/zinc/35/76/70/672357670.db2.gz LHRPRKPJRWCCEL-SJORKVTESA-N 0 3 355.523 2.022 10 0 FEAEHN CN(C[C@@H]1CCN(C)C1)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000230609028 672799050 /nfs/dbraw/zinc/79/90/50/672799050.db2.gz PQTUNULXLSYEMF-SNVBAGLBSA-N 0 3 365.268 2.160 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000246194220 672832518 /nfs/dbraw/zinc/83/25/18/672832518.db2.gz TXYRRZSQZXFHMA-OLZOCXBDSA-N 0 3 371.434 2.290 10 0 FEAEHN C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CN1C1CC1 ZINC000246311537 672834848 /nfs/dbraw/zinc/83/48/48/672834848.db2.gz BVZBZIGIOIOUPE-TUVASFSCSA-N 0 3 351.491 2.421 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1 ZINC000246981005 672844984 /nfs/dbraw/zinc/84/49/84/672844984.db2.gz QJZJMLMILLZYPN-RDTXWAMCSA-N 0 3 357.470 2.278 10 0 FEAEHN CC[C@H]1CCc2c(sc(=O)n2CN2CCN(CCOC)[C@@H](CC)C2)C1 ZINC000247105422 672846346 /nfs/dbraw/zinc/84/63/46/672846346.db2.gz MXCSSCZBFVNUFN-HOTGVXAUSA-N 0 3 367.559 2.425 10 0 FEAEHN CC(C)NC(=O)c1cn(CC[C@H]2CCCCN2Cc2ccccn2)nn1 ZINC000011881892 539538278 /nfs/dbraw/zinc/53/82/78/539538278.db2.gz PIHIOLUDLLGWAM-QGZVFWFLSA-N 0 3 356.474 2.256 10 0 FEAEHN CN(Cc1ccnc2ccccc12)C[C@@]1(O)CCCN(CC2CC2)C1=O ZINC000012449025 539560869 /nfs/dbraw/zinc/56/08/69/539560869.db2.gz IACNDYODOJSVQE-NRFANRHFSA-N 0 3 353.466 2.430 10 0 FEAEHN O=c1cc([C@H]2CCOC2)nc(-c2ccc(C[N@@H+]3CCCOCC3)cc2)[n-]1 ZINC000019111913 539651955 /nfs/dbraw/zinc/65/19/55/539651955.db2.gz YTAOVRPDCJOENT-KRWDZBQOSA-N 0 3 355.438 2.163 10 0 FEAEHN O=c1cc([C@H]2CCOC2)nc(-c2ccc(C[N@H+]3CCCOCC3)cc2)[n-]1 ZINC000019111913 539651959 /nfs/dbraw/zinc/65/19/59/539651959.db2.gz YTAOVRPDCJOENT-KRWDZBQOSA-N 0 3 355.438 2.163 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1 ZINC000052594544 540476544 /nfs/dbraw/zinc/47/65/44/540476544.db2.gz FAFKSXVLULFZGO-SFHVURJKSA-N 0 3 358.486 2.075 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)C1 ZINC000052593852 540476813 /nfs/dbraw/zinc/47/68/13/540476813.db2.gz UEXNUUDLBGISFI-GOSISDBHSA-N 0 3 372.513 2.383 10 0 FEAEHN CC(C)CN1CCN(C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000053420440 540533592 /nfs/dbraw/zinc/53/35/92/540533592.db2.gz NSGHMQIOFMRYOI-MRXNPFEDSA-N 0 3 371.319 2.462 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)C1 ZINC000054507740 540592851 /nfs/dbraw/zinc/59/28/51/540592851.db2.gz SXIYNUZZAXPELH-INIZCTEOSA-N 0 3 374.485 2.073 10 0 FEAEHN Cc1cccc(C)c1OC[C@H](C)NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000056959821 540758053 /nfs/dbraw/zinc/75/80/53/540758053.db2.gz OIVHGNAVNHJGDA-ROUUACIJSA-N 0 3 363.502 2.217 10 0 FEAEHN C[C@@H](NC(=O)N1CC[C@H](N2CCCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000066177416 541286964 /nfs/dbraw/zinc/28/69/64/541286964.db2.gz TUHYDFIVJDLATO-ZBFHGGJFSA-N 0 3 365.499 2.031 10 0 FEAEHN Cc1ccc(Br)cc1S(=O)(=O)N(C)C[C@H]1CCN(C)C1 ZINC000071192988 541765848 /nfs/dbraw/zinc/76/58/48/541765848.db2.gz TVABAVQMGUQNGB-LBPRGKRZSA-N 0 3 361.305 2.330 10 0 FEAEHN N[C@@H]1c2ccccc2C2(CCN(C(=O)COc3ccc(F)cc3)CC2)[C@H]1O ZINC000072168799 541794914 /nfs/dbraw/zinc/79/49/14/541794914.db2.gz CFRLEYSIGWKHDB-UXHICEINSA-N 0 3 370.424 2.139 10 0 FEAEHN COc1ccc(Cl)cc1-n1cc(C2=CCN(CCC(N)=O)CC2)cn1 ZINC000067714297 205385100 /nfs/dbraw/zinc/38/51/00/205385100.db2.gz SBOKLESYRMMEOX-UHFFFAOYSA-N 0 3 360.845 2.499 10 0 FEAEHN C[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccc(F)c(Cl)c1 ZINC000073050298 541913336 /nfs/dbraw/zinc/91/33/36/541913336.db2.gz XILOHJXIJYZPQL-AAEUAGOBSA-N 0 3 355.841 2.066 10 0 FEAEHN Cc1ccc(S(=O)(=O)n2nc(N3CCNCC3)c3ccc(F)cc32)cc1 ZINC000135718528 206128870 /nfs/dbraw/zinc/12/88/70/206128870.db2.gz NAVHISBSLCWSJA-UHFFFAOYSA-N 0 3 374.441 2.130 10 0 FEAEHN CC(C)(C)c1csc(CCNC(=O)NC[C@@H](O)CN2CCCCC2)n1 ZINC000105295373 543169987 /nfs/dbraw/zinc/16/99/87/543169987.db2.gz AQBNFOIUMHYNNU-CQSZACIVSA-N 0 3 368.547 2.129 10 0 FEAEHN CC(C)(C)c1csc(CNC(=O)NC[C@@H](O)CN2CCCCC2)n1 ZINC000105296278 543170040 /nfs/dbraw/zinc/17/00/40/543170040.db2.gz QEEBYZYEFCMTGH-CYBMUJFWSA-N 0 3 354.520 2.087 10 0 FEAEHN Cc1ccc(N2CCCN(CCC(=O)N3CCc4ccccc43)CC2)nn1 ZINC000106072540 543189760 /nfs/dbraw/zinc/18/97/60/543189760.db2.gz YMKOMMBPCMOHGT-UHFFFAOYSA-N 0 3 365.481 2.277 10 0 FEAEHN CCc1ccccc1NC(=O)CN(C)C1CCN(CCn2cccn2)CC1 ZINC000106130887 543205627 /nfs/dbraw/zinc/20/56/27/543205627.db2.gz BYRFKLPYEIWNGZ-UHFFFAOYSA-N 0 3 369.513 2.480 10 0 FEAEHN O[C@H](COc1ccccc1Cl)CN1CCC[C@H](Cn2cncn2)C1 ZINC000108879506 543307141 /nfs/dbraw/zinc/30/71/41/543307141.db2.gz IEUWENOLTNHCLC-GJZGRUSLSA-N 0 3 350.850 2.083 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N2CC[C@H](N(C)C)C2)cc1NC(=O)C(C)(C)C ZINC000111907025 543424376 /nfs/dbraw/zinc/42/43/76/543424376.db2.gz BCYCBJSTJRMTCH-HNNXBMFYSA-N 0 3 374.485 2.081 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)Nc1ccc(SC)cc1)CC2 ZINC000112550843 543451505 /nfs/dbraw/zinc/45/15/05/543451505.db2.gz OZBSHGBIHPDPQB-JSGCOSHPSA-N 0 3 359.499 2.494 10 0 FEAEHN COc1cccc(CNC(=O)[C@@H](C)N[C@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000112552028 543452076 /nfs/dbraw/zinc/45/20/76/543452076.db2.gz KTUQHKGZRBJVIB-ZBFHGGJFSA-N 0 3 371.485 2.019 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)c3cc(F)ccc3F)CC2)nc1 ZINC000114415063 543514522 /nfs/dbraw/zinc/51/45/22/543514522.db2.gz GBXVLNKAMLIGEF-UHFFFAOYSA-N 0 3 360.408 2.384 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000247459782 549336483 /nfs/dbraw/zinc/33/64/83/549336483.db2.gz QRRDLOIWMAZGBQ-NZSAHSFTSA-N 0 3 355.482 2.234 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)N1CCN(CCOC)[C@H](C)C1)c1ccco1 ZINC000117486177 543633323 /nfs/dbraw/zinc/63/33/23/543633323.db2.gz HFUXBWICSRKFCA-SJORKVTESA-N 0 3 366.506 2.025 10 0 FEAEHN CN(C)C[C@H]1CN(CCC(=O)Nc2cccc(Br)c2)CCO1 ZINC000124659004 543835284 /nfs/dbraw/zinc/83/52/84/543835284.db2.gz WBOAMJNVLNJSJW-HNNXBMFYSA-N 0 3 370.291 2.040 10 0 FEAEHN Cn1cc([C@H]2CCN(Cc3ccccc3OCC(=O)NCC3CC3)C2)cn1 ZINC000128477375 544054805 /nfs/dbraw/zinc/05/48/05/544054805.db2.gz FPFNSBXBCDCWEV-KRWDZBQOSA-N 0 3 368.481 2.315 10 0 FEAEHN C[C@@H](CNC(=O)N[C@H]1CCCc2cc(F)ccc21)CN1CCN(C)CC1 ZINC000129077126 544089642 /nfs/dbraw/zinc/08/96/42/544089642.db2.gz MFJXFCOSPFLYAY-KXBFYZLASA-N 0 3 362.493 2.386 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1-n1cccn1 ZINC000129436393 544112143 /nfs/dbraw/zinc/11/21/43/544112143.db2.gz XDQCJZFXZNCGBO-MRXNPFEDSA-N 0 3 369.469 2.047 10 0 FEAEHN CN(Cc1ccc(Br)cc1)C(=O)C(C)(C)N1CCNCC1 ZINC000129643815 544121854 /nfs/dbraw/zinc/12/18/54/544121854.db2.gz LDRCACBETSEEMN-UHFFFAOYSA-N 0 3 354.292 2.091 10 0 FEAEHN COc1cc(NC(=O)N2CCO[C@H](CN(C)C)C2)ccc1Br ZINC000129676782 544122563 /nfs/dbraw/zinc/12/25/63/544122563.db2.gz BNUGLXNYOIUWRW-GFCCVEGCSA-N 0 3 372.263 2.252 10 0 FEAEHN O=C(/C=C/c1ccc(Cl)nc1)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000130629354 544158726 /nfs/dbraw/zinc/15/87/26/544158726.db2.gz AJFMDQMRXDLUBJ-IWHGQQBYSA-N 0 3 371.868 2.284 10 0 FEAEHN COc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c2cccnc12 ZINC000150786518 544471948 /nfs/dbraw/zinc/47/19/48/544471948.db2.gz JAYICTBQGNRUTK-CJNGLKHVSA-N 0 3 370.453 2.027 10 0 FEAEHN CCCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H]2CCCN(CC)C2)cc1 ZINC000151760000 544576234 /nfs/dbraw/zinc/57/62/34/544576234.db2.gz XOHSOHWBJJJVOA-MRXNPFEDSA-N 0 3 368.503 2.444 10 0 FEAEHN C[C@@H](CNC(=O)N1CCC(Nc2cccnn2)CC1)N1CCC[C@@H](C)C1 ZINC000153489103 544782210 /nfs/dbraw/zinc/78/22/10/544782210.db2.gz WESQSOFPMYJVIS-CVEARBPZSA-N 0 3 360.506 2.183 10 0 FEAEHN CC[C@@H]1CN(CCC(=O)Nc2ccccc2Cl)CCN1C[C@H](C)O ZINC000247543293 549354137 /nfs/dbraw/zinc/35/41/37/549354137.db2.gz DENKGMFTGQBNSY-LSDHHAIUSA-N 0 3 353.894 2.446 10 0 FEAEHN Cn1cc([C@H]2CCN(C(=O)NCC3CCN(c4ccncc4)CC3)C2)cn1 ZINC000179749067 327658419 /nfs/dbraw/zinc/65/84/19/327658419.db2.gz SOJSLBSCCAMGPK-KRWDZBQOSA-N 0 3 368.485 2.231 10 0 FEAEHN CN(C)C[C@H](NC(=O)c1ccnc(O[C@@H]2CCOC2)c1)c1ccccc1 ZINC000182372567 327772499 /nfs/dbraw/zinc/77/24/99/327772499.db2.gz JWGYMXKWWGLOPT-MSOLQXFVSA-N 0 3 355.438 2.282 10 0 FEAEHN c1cn(CCCN2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cn1 ZINC000182755887 327787822 /nfs/dbraw/zinc/78/78/22/327787822.db2.gz VCOGEYDBFQYTIS-UHFFFAOYSA-N 0 3 350.470 2.277 10 0 FEAEHN Cc1ccc(CCC(=O)N2CCO[C@H](CN(C)C)C2)c(Br)c1 ZINC000185439364 327916456 /nfs/dbraw/zinc/91/64/56/327916456.db2.gz SSZCXRQWJJBTOY-OAHLLOKOSA-N 0 3 369.303 2.479 10 0 FEAEHN Cc1ccc(SC[C@H](C)NC(=O)N2CCO[C@@H](CN(C)C)C2)cc1 ZINC000185944651 327940280 /nfs/dbraw/zinc/94/02/80/327940280.db2.gz VTSDKDHMIHFAJL-HOTGVXAUSA-N 0 3 351.516 2.448 10 0 FEAEHN CC(C)c1nnc2n1C[C@@H](N[C@@H](C)CS(=O)(=O)c1ccccc1)CC2 ZINC000186293549 327955773 /nfs/dbraw/zinc/95/57/73/327955773.db2.gz QSCNQQYOFREJFU-GJZGRUSLSA-N 0 3 362.499 2.168 10 0 FEAEHN Fc1cc(Br)cc(OCCN2CC[C@@H](N3CCOCC3)C2)c1 ZINC000189039614 328125138 /nfs/dbraw/zinc/12/51/38/328125138.db2.gz CZUPSONRVIBNCZ-OAHLLOKOSA-N 0 3 373.266 2.374 10 0 FEAEHN CN(C[C@H](O)CC(F)(F)F)C[C@@H](c1cccs1)N1CCOCC1 ZINC000189200459 328134417 /nfs/dbraw/zinc/13/44/17/328134417.db2.gz WPLDNZWVWCKYGS-OLZOCXBDSA-N 0 3 352.422 2.367 10 0 FEAEHN Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000190083357 328186947 /nfs/dbraw/zinc/18/69/47/328186947.db2.gz FECZKWGBCBDPMT-FUHWJXTLSA-N 0 3 370.497 2.229 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000190337529 328201179 /nfs/dbraw/zinc/20/11/79/328201179.db2.gz HPCXKIIPDPRUAM-IAGOWNOFSA-N 0 3 357.454 2.221 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc2cccnc21 ZINC000190348213 328201756 /nfs/dbraw/zinc/20/17/56/328201756.db2.gz IKDIOAJNKSUEEP-JKSUJKDBSA-N 0 3 352.438 2.259 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1OC(F)F ZINC000190351858 328202150 /nfs/dbraw/zinc/20/21/50/328202150.db2.gz SRDCVFWGSAZAKC-QWHCGFSZSA-N 0 3 367.396 2.312 10 0 FEAEHN CCn1cc(NC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)ccc1=O ZINC000190498680 328211749 /nfs/dbraw/zinc/21/17/49/328211749.db2.gz QKKIQYQYBJCZTL-KRWDZBQOSA-N 0 3 369.469 2.249 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2cccc(C(N)=O)c2)C1 ZINC000190545471 328215221 /nfs/dbraw/zinc/21/52/21/328215221.db2.gz QWCKBOUWWHEIDG-AWEZNQCLSA-N 0 3 372.494 2.145 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2cccc3c2OCCO3)C1 ZINC000190653005 328222291 /nfs/dbraw/zinc/22/22/91/328222291.db2.gz MPRMHKIKGJMEDS-QGZVFWFLSA-N 0 3 367.449 2.447 10 0 FEAEHN C[C@H]1CN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCS1 ZINC000190737296 328229175 /nfs/dbraw/zinc/22/91/75/328229175.db2.gz HMVYSKHYYMKIFQ-FUHWJXTLSA-N 0 3 363.527 2.424 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@@H]1CCN(c3c(C)cc(C)cc3C)C1=O)CC2 ZINC000190966624 328242721 /nfs/dbraw/zinc/24/27/21/328242721.db2.gz UOJUMBAPHSDHEU-DLBZAZTESA-N 0 3 367.497 2.476 10 0 FEAEHN CCOC(=O)c1oc2c(c1C)[C@@H](NC[C@H](C)N1CCOCC1)CCC2 ZINC000192634869 328330111 /nfs/dbraw/zinc/33/01/11/328330111.db2.gz MQJJKXLMYDEMSE-ZFWWWQNUSA-N 0 3 350.459 2.452 10 0 FEAEHN COc1cc(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)ccc1Cl ZINC000192708593 328334529 /nfs/dbraw/zinc/33/45/29/328334529.db2.gz QLJCRYWSPISRCT-CYBMUJFWSA-N 0 3 355.866 2.380 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC000236952887 328499224 /nfs/dbraw/zinc/49/92/24/328499224.db2.gz JMGDLOBLAQIEFE-CXAGYDPISA-N 0 3 353.894 2.366 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000078614523 325054085 /nfs/dbraw/zinc/05/40/85/325054085.db2.gz SKNIBBOHVGBHBR-MRXNPFEDSA-N 0 3 361.486 2.285 10 0 FEAEHN Cc1cc(N2CCC[C@@H](NCc3ccc(-n4cccn4)cc3)C2=O)n(C)n1 ZINC000080526826 325134857 /nfs/dbraw/zinc/13/48/57/325134857.db2.gz CSPKUFKBWXHOSN-GOSISDBHSA-N 0 3 364.453 2.199 10 0 FEAEHN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCN1CCc2ccccc2C1 ZINC000083700938 325222786 /nfs/dbraw/zinc/22/27/86/325222786.db2.gz IOPDWKJVTLJUQT-SFHVURJKSA-N 0 3 368.485 2.169 10 0 FEAEHN CCc1nc2ccccc2n1C1CCN(C[C@@H](O)CN2CCCC2=O)CC1 ZINC000093300165 325441836 /nfs/dbraw/zinc/44/18/36/325441836.db2.gz XWINASCSLMWJIL-QGZVFWFLSA-N 0 3 370.497 2.219 10 0 FEAEHN CN(C(=O)NCc1cccc(F)c1)C1CCN(CCn2cccn2)CC1 ZINC000109393268 325666801 /nfs/dbraw/zinc/66/68/01/325666801.db2.gz GHLDHSQFAJRKAA-UHFFFAOYSA-N 0 3 359.449 2.328 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)Nc1cccc3ncccc31)CC2 ZINC000112551047 325789844 /nfs/dbraw/zinc/78/98/44/325789844.db2.gz VYCGVTOHQJRURA-KBPBESRZSA-N 0 3 364.453 2.320 10 0 FEAEHN C[C@H](N[C@@H]1CCc2ncnn2C1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000112550178 325789847 /nfs/dbraw/zinc/78/98/47/325789847.db2.gz BGYZRDWOEZTTAB-CMPLNLGQSA-N 0 3 369.347 2.108 10 0 FEAEHN CC(C)Nc1ncnc2c1ncn2C[C@H](O)CN1CCc2ccccc2C1 ZINC000116400796 326012109 /nfs/dbraw/zinc/01/21/09/326012109.db2.gz YUSJNXGPHDEWSW-QGZVFWFLSA-N 0 3 366.469 2.066 10 0 FEAEHN C[C@@H](CNC(=O)N1CC[C@H](c2cnn(C)c2)C1)N(C)Cc1ccccc1 ZINC000116431779 326014103 /nfs/dbraw/zinc/01/41/03/326014103.db2.gz XKDYJXDJPSZLAN-WMZOPIPTSA-N 0 3 355.486 2.440 10 0 FEAEHN CCN(CCNC(=O)N1CCCN(Cc2csc(C)n2)CC1)C1CC1 ZINC000116429930 326014348 /nfs/dbraw/zinc/01/43/48/326014348.db2.gz HFQLUWGQHLCGTP-UHFFFAOYSA-N 0 3 365.547 2.153 10 0 FEAEHN COCCOC1CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000116884508 326040019 /nfs/dbraw/zinc/04/00/19/326040019.db2.gz RMCUBGPFGAANHG-KRWDZBQOSA-N 0 3 357.878 2.345 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)c1ccsc1 ZINC000117031410 326048423 /nfs/dbraw/zinc/04/84/23/326048423.db2.gz LLEZZVMIWSWRFR-SJORKVTESA-N 0 3 368.547 2.103 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NCc2ccc(F)cc2C(F)(F)F)CCO1 ZINC000117029765 326048505 /nfs/dbraw/zinc/04/85/05/326048505.db2.gz CAKRQEJVMMFWCJ-CYBMUJFWSA-N 0 3 363.355 2.317 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2ccc(F)cc2Br)CCO1 ZINC000118804822 326103524 /nfs/dbraw/zinc/10/35/24/326103524.db2.gz NNWDTXUMVYYDHI-NSHDSACASA-N 0 3 360.227 2.383 10 0 FEAEHN CCC[C@@H](C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)N(C)C ZINC000119632557 326183130 /nfs/dbraw/zinc/18/31/30/326183130.db2.gz CVMYFKMASISNBA-SFHVURJKSA-N 0 3 374.529 2.116 10 0 FEAEHN CC(C)[C@@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)N1CCCCC1 ZINC000119875656 326207933 /nfs/dbraw/zinc/20/79/33/326207933.db2.gz FFDVRMSVKGVZIE-SFTDATJTSA-N 0 3 373.541 2.032 10 0 FEAEHN CCN1CCN([C@H](C)CNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000246007499 328583713 /nfs/dbraw/zinc/58/37/13/328583713.db2.gz GTJGHJCZDUJYFP-VNQPRFMTSA-N 0 3 351.441 2.211 10 0 FEAEHN COC(=O)[C@@H](C)Oc1ccc(CN2CCC(Nc3cccnn3)CC2)cc1 ZINC000120328616 326249999 /nfs/dbraw/zinc/24/99/99/326249999.db2.gz IBDGZUDYLJTXCN-OAHLLOKOSA-N 0 3 370.453 2.493 10 0 FEAEHN Cc1ccc2ncc(CN(C)C3CCN(CCn4cccn4)CC3)n2c1 ZINC000121240943 326324071 /nfs/dbraw/zinc/32/40/71/326324071.db2.gz JPTQCRXTNGWKDE-UHFFFAOYSA-N 0 3 352.486 2.436 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000121872940 326373006 /nfs/dbraw/zinc/37/30/06/326373006.db2.gz LWKUEVOXTPGIGO-QGZVFWFLSA-N 0 3 374.485 2.066 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000121872795 326373111 /nfs/dbraw/zinc/37/31/11/326373111.db2.gz LWKUEVOXTPGIGO-KRWDZBQOSA-N 0 3 374.485 2.066 10 0 FEAEHN O=C1CCCCN1CC1CCN(C[C@@H](O)COCc2ccccc2)CC1 ZINC000122178226 326386903 /nfs/dbraw/zinc/38/69/03/326386903.db2.gz FLGQYBUPJFVWMA-HXUWFJFHSA-N 0 3 360.498 2.289 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000122415190 326395823 /nfs/dbraw/zinc/39/58/23/326395823.db2.gz QVQBJEIWWUROKK-HUUCEWRRSA-N 0 3 351.470 2.075 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)CCO1 ZINC000122454806 326397240 /nfs/dbraw/zinc/39/72/40/326397240.db2.gz ZHSJRESVROTODY-HUUCEWRRSA-N 0 3 359.392 2.132 10 0 FEAEHN CCc1nnc(-c2ccc(NC(=O)N3CCO[C@@H](CN(C)C)C3)cc2)o1 ZINC000129672746 326544474 /nfs/dbraw/zinc/54/44/74/326544474.db2.gz XUHRBNZHQIGZQY-HNNXBMFYSA-N 0 3 359.430 2.093 10 0 FEAEHN CN(CC1CCN(C)CC1)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000129678260 326544636 /nfs/dbraw/zinc/54/46/36/326544636.db2.gz LQIFLVVFTKCNOT-HKUYNNGSSA-N 0 3 361.461 2.145 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1ccccc1OCCN(C)C)CC2 ZINC000136833410 326655744 /nfs/dbraw/zinc/65/57/44/326655744.db2.gz VVIJDLWTTMWJNM-HNNXBMFYSA-N 0 3 371.485 2.087 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000153460753 326733631 /nfs/dbraw/zinc/73/36/31/326733631.db2.gz BFODCNJLZXEQQD-INIZCTEOSA-N 0 3 358.442 2.373 10 0 FEAEHN CN(C)C[C@@H]1CN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CCO1 ZINC000155283601 326783311 /nfs/dbraw/zinc/78/33/11/326783311.db2.gz MCMXARBMLGDSBT-ZWKOTPCHSA-N 0 3 367.493 2.418 10 0 FEAEHN CCOC(=O)C(C)(C)n1cc(NC(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cn1 ZINC000164465359 327070624 /nfs/dbraw/zinc/07/06/24/327070624.db2.gz RHPDJSCLNCLMEG-DZGCQCFKSA-N 0 3 365.478 2.032 10 0 FEAEHN Cc1nn(-c2ccccc2)cc1CCCNC(=O)N1CC[C@H](N(C)C)C1 ZINC000170831246 327101040 /nfs/dbraw/zinc/10/10/40/327101040.db2.gz CJEPVRRHARJXAM-IBGZPJMESA-N 0 3 355.486 2.459 10 0 FEAEHN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)N2CC[C@@H](N(C)C)C2)C1 ZINC000170836684 327101773 /nfs/dbraw/zinc/10/17/73/327101773.db2.gz OWXOTPUABABJCN-HUUCEWRRSA-N 0 3 366.893 2.273 10 0 FEAEHN C[C@@H](NCCC(=O)Nc1ccc(F)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000171125494 327119597 /nfs/dbraw/zinc/11/95/97/327119597.db2.gz NDDRIRMBWUPKMB-GFCCVEGCSA-N 0 3 365.430 2.153 10 0 FEAEHN O=C(Nc1cccc(-c2nnc3n2CCC3)c1)N1CCN2CCC[C@H]2C1 ZINC000171807378 327162621 /nfs/dbraw/zinc/16/26/21/327162621.db2.gz RZASJCXRHCMDQD-INIZCTEOSA-N 0 3 352.442 2.203 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)NCCc3ccccc3)CC2)nc1 ZINC000172017493 327176367 /nfs/dbraw/zinc/17/63/67/327176367.db2.gz MPCAIYZUCKUONC-UHFFFAOYSA-N 0 3 367.497 2.218 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000172060602 327178674 /nfs/dbraw/zinc/17/86/74/327178674.db2.gz QZDPLBZBQMPUAZ-ZYHUDNBSSA-N 0 3 367.243 2.487 10 0 FEAEHN CN(C[C@H]1CCCN(C)C1)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000172235016 327188867 /nfs/dbraw/zinc/18/88/67/327188867.db2.gz OFLMUTRFWXNQLE-ILZDJORESA-N 0 3 357.498 2.396 10 0 FEAEHN CN(C[C@H]1CN(c2ccccc2)C(=O)O1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000172790151 327219244 /nfs/dbraw/zinc/21/92/44/327219244.db2.gz FFWWWDJKDNZFIF-MSOLQXFVSA-N 0 3 367.453 2.403 10 0 FEAEHN C[C@@H](N[C@H](C)c1cccs1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000172872737 327223964 /nfs/dbraw/zinc/22/39/64/327223964.db2.gz JTGRYNUAASSDEH-ZIAGYGMSSA-N 0 3 361.467 2.365 10 0 FEAEHN C[C@H](N[C@@H]1Cc2ccccc2[C@@H]1O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173421226 327255315 /nfs/dbraw/zinc/25/53/15/327255315.db2.gz AWRVVEXJOGSKSS-BKTGTZMESA-N 0 3 360.479 2.246 10 0 FEAEHN CCCS(=O)(=O)Nc1cccc(NC(=O)N[C@@H]2CCCN(CC)C2)c1 ZINC000173436188 327257038 /nfs/dbraw/zinc/25/70/38/327257038.db2.gz ZAJZTLUPWZVKOW-MRXNPFEDSA-N 0 3 368.503 2.444 10 0 FEAEHN Cc1nnc([C@@H]2CN(C(=O)c3oc4ccccc4c3CN(C)C)CCO2)[nH]1 ZINC000173755508 327281635 /nfs/dbraw/zinc/28/16/35/327281635.db2.gz LKBWFYCYNNEKRN-INIZCTEOSA-N 0 3 369.425 2.135 10 0 FEAEHN Cc1nc([C@@H]2CN(C(=O)c3oc4ccccc4c3CN(C)C)CCO2)n[nH]1 ZINC000173755508 327281636 /nfs/dbraw/zinc/28/16/36/327281636.db2.gz LKBWFYCYNNEKRN-INIZCTEOSA-N 0 3 369.425 2.135 10 0 FEAEHN CC(C)(C)c1ccc(OC[C@@H](O)CN2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173950762 327297209 /nfs/dbraw/zinc/29/72/09/327297209.db2.gz IZDIDDOTAVHXNI-OALUTQOASA-N 0 3 362.514 2.130 10 0 FEAEHN C[C@@H]1CN(C(=O)c2oc3ccccc3c2CN(C)C)C[C@H]1N1CCOCC1 ZINC000173979231 327299428 /nfs/dbraw/zinc/29/94/28/327299428.db2.gz ODSLOTVFYRXSGA-CRAIPNDOSA-N 0 3 371.481 2.287 10 0 FEAEHN COC(=O)c1ccc(NCC2CCN(C[C@H](O)c3ccccc3)CC2)nn1 ZINC000174739096 327347491 /nfs/dbraw/zinc/34/74/91/327347491.db2.gz SADFUYBFJOYQFR-SFHVURJKSA-N 0 3 370.453 2.121 10 0 FEAEHN CCNC(=O)N1CCc2ccc(NC(=O)N3CCN4CCC[C@@H]4C3)cc21 ZINC000174858093 327355646 /nfs/dbraw/zinc/35/56/46/327355646.db2.gz BMJIZPVPJDLUAO-MRXNPFEDSA-N 0 3 357.458 2.091 10 0 FEAEHN CN(C)C[C@H](NC(=O)Nc1cnn(-c2ncccn2)c1)c1ccccc1 ZINC000174893686 327358846 /nfs/dbraw/zinc/35/88/46/327358846.db2.gz DIFQHTGYDKIQJJ-INIZCTEOSA-N 0 3 351.414 2.087 10 0 FEAEHN CSC[C@H](C)NC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000175087235 327373157 /nfs/dbraw/zinc/37/31/57/327373157.db2.gz WRJLWTDCWSVUIV-YJBOKZPZSA-N 0 3 365.543 2.483 10 0 FEAEHN CC[C@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)Oc1ccccc1Cl ZINC000176001438 327427512 /nfs/dbraw/zinc/42/75/12/327427512.db2.gz AWTJTMGUGVLTRK-CABCVRRESA-N 0 3 369.893 2.469 10 0 FEAEHN CN(C(=O)NCCCc1ccccn1)C1CCN(CCn2cccn2)CC1 ZINC000178437904 327584971 /nfs/dbraw/zinc/58/49/71/327584971.db2.gz IWRPFXRPUIQTEO-UHFFFAOYSA-N 0 3 370.501 2.017 10 0 FEAEHN CN(C)C[C@@H]1CN([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CCO1 ZINC000247520544 328692165 /nfs/dbraw/zinc/69/21/65/328692165.db2.gz WQZUWADQYRIKKJ-CVEARBPZSA-N 0 3 371.403 2.073 10 0 FEAEHN CC1CCN([C@@H](CNC(=O)[C@@H](N)C2CCOCC2)c2cccs2)CC1 ZINC000261628819 328806883 /nfs/dbraw/zinc/80/68/83/328806883.db2.gz CTOQAONIHDCARQ-WMZOPIPTSA-N 0 3 365.543 2.391 10 0 FEAEHN CCC[C@@](C)(N)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000262340012 328859930 /nfs/dbraw/zinc/85/99/30/328859930.db2.gz YERHBIWNIJMBJN-LJQANCHMSA-N 0 3 361.442 2.110 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2ccc(-c3nc(C4CC4)no3)cc2)n1 ZINC000263158363 328920969 /nfs/dbraw/zinc/92/09/69/328920969.db2.gz DQMVSBBZSCBZNJ-CQSZACIVSA-N 0 3 352.398 2.240 10 0 FEAEHN CCOC(=O)c1cnc2ccc(C(=O)OC(C)C)cc2c1N1CCNCC1 ZINC000053994929 535715506 /nfs/dbraw/zinc/71/55/06/535715506.db2.gz PGBOALKCXSDDHP-UHFFFAOYSA-N 0 3 371.437 2.386 10 0 FEAEHN COCCOCc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)ccc1F ZINC000155638636 545552319 /nfs/dbraw/zinc/55/23/19/545552319.db2.gz PUTHMFMPGMLICY-KSSFIOAISA-N 0 3 352.450 2.447 10 0 FEAEHN CN(C)C[C@H]1CN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CCO1 ZINC000157817573 545788157 /nfs/dbraw/zinc/78/81/57/545788157.db2.gz ZLJBJGZFGICLGD-INIZCTEOSA-N 0 3 374.312 2.214 10 0 FEAEHN CCCS(=O)(=O)NC1CCN(CCN(C)Cc2ccc(F)cc2)CC1 ZINC000158692881 545886011 /nfs/dbraw/zinc/88/60/11/545886011.db2.gz OFBVMOHVEOUOKG-UHFFFAOYSA-N 0 3 371.522 2.051 10 0 FEAEHN COCCN(C)CCNC(=O)N[C@@H](C)c1ccccc1Br ZINC000171191093 546194835 /nfs/dbraw/zinc/19/48/35/546194835.db2.gz NMUABGZPTJQLFQ-LBPRGKRZSA-N 0 3 358.280 2.388 10 0 FEAEHN O=C(NCCc1ccc(Br)cc1)N1CCN2CCC[C@@H]2C1 ZINC000172338462 546249066 /nfs/dbraw/zinc/24/90/66/546249066.db2.gz OZRZDPZQDIDUFR-OAHLLOKOSA-N 0 3 352.276 2.481 10 0 FEAEHN CC(C)C1CCC(N2CCN(C(=O)N[C@@H]3CCc4ncnn4C3)CC2)CC1 ZINC000175622926 546321901 /nfs/dbraw/zinc/32/19/01/546321901.db2.gz VHGADDRGIDQIKA-LXPRWKDFSA-N 0 3 374.533 2.135 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000176244189 546424139 /nfs/dbraw/zinc/42/41/39/546424139.db2.gz RHHFPDVVKQPAKO-KRWDZBQOSA-N 0 3 371.485 2.432 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000176288296 546427744 /nfs/dbraw/zinc/42/77/44/546427744.db2.gz AKNTWJYNPCADOI-DNVCBOLYSA-N 0 3 361.486 2.225 10 0 FEAEHN CN(CCNc1cc(N2CCC[C@@H]2CO)ncn1)Cc1ccc(F)cc1 ZINC000176814627 546491401 /nfs/dbraw/zinc/49/14/01/546491401.db2.gz BTRZFCNCEQFKTJ-QGZVFWFLSA-N 0 3 359.449 2.121 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000176889530 546501644 /nfs/dbraw/zinc/50/16/44/546501644.db2.gz AUXKUUCETKKPCT-CYBMUJFWSA-N 0 3 355.385 2.169 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000176981061 546518384 /nfs/dbraw/zinc/51/83/84/546518384.db2.gz LUKHPFVMLRDBKH-CABCVRRESA-N 0 3 365.424 2.260 10 0 FEAEHN COCCCNC(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000177429798 546616153 /nfs/dbraw/zinc/61/61/53/546616153.db2.gz AZFMYCUPPDPTRR-LJQANCHMSA-N 0 3 363.502 2.110 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC1CCN(CC(F)(F)F)CC1 ZINC000177443535 546619775 /nfs/dbraw/zinc/61/97/75/546619775.db2.gz HSNYRTWMTJRGPL-AWEZNQCLSA-N 0 3 350.429 2.139 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Cc2cccc(I)c2)C1 ZINC000177541764 546639994 /nfs/dbraw/zinc/63/99/94/546639994.db2.gz OIJCKYTXQBKRSL-AWEZNQCLSA-N 0 3 372.250 2.434 10 0 FEAEHN O=C(Nc1cc(C(F)(F)F)ccc1F)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177683408 546666794 /nfs/dbraw/zinc/66/67/94/546666794.db2.gz XLUQYUYENLDPIH-NSHDSACASA-N 0 3 359.323 2.090 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)cc1C(F)(F)F ZINC000177685820 546668272 /nfs/dbraw/zinc/66/82/72/546668272.db2.gz LTUSDIKJSSZMCC-CYBMUJFWSA-N 0 3 355.360 2.259 10 0 FEAEHN COC(=O)COc1c(C)cc(CN2CCC[C@H](n3cncn3)C2)cc1C ZINC000179471203 546961064 /nfs/dbraw/zinc/96/10/64/546961064.db2.gz DEWKIYDARLQNSF-KRWDZBQOSA-N 0 3 358.442 2.284 10 0 FEAEHN C[C@@H]1C[C@@H](C(=O)N2CCC(C(=O)NCCN(C)C)CC2)CC(C)(C)C1 ZINC000180149440 547059180 /nfs/dbraw/zinc/05/91/80/547059180.db2.gz LUCPMIONZVPBJF-NVXWUHKLSA-N 0 3 351.535 2.365 10 0 FEAEHN CC(C)c1nnc2n1C[C@H](N[C@@H](C)c1ccc(-n3cnnn3)cc1)CC2 ZINC000180499083 547119467 /nfs/dbraw/zinc/11/94/67/547119467.db2.gz OCOUUKLOKNARAU-DZGCQCFKSA-N 0 3 352.446 2.043 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)CCCNC(=O)c1cccnc1 ZINC000182094095 547436493 /nfs/dbraw/zinc/43/64/93/547436493.db2.gz VUUJZKISFKPROO-KRWDZBQOSA-N 0 3 368.481 2.228 10 0 FEAEHN CCn1cnnc1[C@H]1CCCN(CCOc2ccccc2C(=O)OC)C1 ZINC000182110040 547439526 /nfs/dbraw/zinc/43/95/26/547439526.db2.gz SCCQWUBWBMYUHF-HNNXBMFYSA-N 0 3 358.442 2.343 10 0 FEAEHN CC(C)N1CCO[C@H](CN2CCN(CCCc3cccc(F)c3)CC2)C1 ZINC000182752404 547546168 /nfs/dbraw/zinc/54/61/68/547546168.db2.gz XSFQAAJDXQVPQV-OAQYLSRUSA-N 0 3 363.521 2.485 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000182809723 547556041 /nfs/dbraw/zinc/55/60/41/547556041.db2.gz UDBVEFJSYQBHGX-AWEZNQCLSA-N 0 3 365.861 2.424 10 0 FEAEHN COc1ccc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)nc1Br ZINC000183131413 547607296 /nfs/dbraw/zinc/60/72/96/547607296.db2.gz LMFCKKLYIGXUAR-WDEREUQCSA-N 0 3 354.248 2.161 10 0 FEAEHN CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000183419459 547655782 /nfs/dbraw/zinc/65/57/82/547655782.db2.gz FUYBJBCHULOTSC-IBGZPJMESA-N 0 3 362.493 2.482 10 0 FEAEHN COc1ccccc1C1(CNC(=O)N2CCO[C@@H](CN(C)C)C2)CCC1 ZINC000185206901 547952093 /nfs/dbraw/zinc/95/20/93/547952093.db2.gz SMIHSCMKFDQPBT-INIZCTEOSA-N 0 3 361.486 2.089 10 0 FEAEHN CCO[C@@H]1C[C@H](NCc2cnc(N3CCOCC3)s2)C12CCOCC2 ZINC000185662123 548016412 /nfs/dbraw/zinc/01/64/12/548016412.db2.gz VWNQLAHIZZIMMX-JKSUJKDBSA-N 0 3 367.515 2.044 10 0 FEAEHN CN(CCN(C)C1CC1)C[C@H](O)COc1cccc(Br)c1 ZINC000186792825 548195395 /nfs/dbraw/zinc/19/53/95/548195395.db2.gz QBDGFTHVDQAEMR-HNNXBMFYSA-N 0 3 357.292 2.215 10 0 FEAEHN Cc1cccc(CNC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)n1 ZINC000190698350 548332353 /nfs/dbraw/zinc/33/23/53/548332353.db2.gz AGWGVFAAGIATSJ-SFHVURJKSA-N 0 3 353.470 2.449 10 0 FEAEHN Cc1ccc(CCNC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)cn1 ZINC000190710094 548332564 /nfs/dbraw/zinc/33/25/64/548332564.db2.gz SGTXGENBEKZQFG-FQEVSTJZSA-N 0 3 367.497 2.491 10 0 FEAEHN O=C(NCCCN1CCCC1=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000194852525 548541046 /nfs/dbraw/zinc/54/10/46/548541046.db2.gz GPOYNIALINIHMR-LJQANCHMSA-N 0 3 372.513 2.353 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(Cc2nsc(N(C)C)n2)C1 ZINC000195254522 548604107 /nfs/dbraw/zinc/60/41/07/548604107.db2.gz WXCAZRWUMSTFNX-CYBMUJFWSA-N 0 3 366.560 2.323 10 0 FEAEHN Cc1cc(NC(=O)[C@H](C)N2CC[C@H](CN(C)Cc3cccnc3)C2)on1 ZINC000195285389 548611796 /nfs/dbraw/zinc/61/17/96/548611796.db2.gz UMUYKJAAOKGMHQ-DOTOQJQBSA-N 0 3 357.458 2.159 10 0 FEAEHN Cc1ccccc1CNC(=O)CN1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195300844 548616065 /nfs/dbraw/zinc/61/60/65/548616065.db2.gz FJNFRHZSHGMOKC-HXUWFJFHSA-N 0 3 366.509 2.460 10 0 FEAEHN COc1ccc2c(C)c(CCC(=O)N3CCN4CCC[C@@H]4C3)c(=O)oc2c1 ZINC000195324789 548624978 /nfs/dbraw/zinc/62/49/78/548624978.db2.gz CDAQKAQNNFEZRG-OAHLLOKOSA-N 0 3 370.449 2.349 10 0 FEAEHN COC(=O)[C@@H]1CCCN(C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000245407333 548909640 /nfs/dbraw/zinc/90/96/40/548909640.db2.gz ZXCREKMJYNYDPZ-TZMCWYRMSA-N 0 3 361.360 2.330 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O ZINC000245426950 548916305 /nfs/dbraw/zinc/91/63/05/548916305.db2.gz GUMDWYQQIIXITH-XLIONFOSSA-N 0 3 370.497 2.158 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CCN1c2ccccc2O[C@@H](C)C1=O ZINC000245427873 548916579 /nfs/dbraw/zinc/91/65/79/548916579.db2.gz IFCNUTFFMVWBPF-JKSUJKDBSA-N 0 3 359.470 2.133 10 0 FEAEHN COc1ccc(-n2nc(C(=O)N3C[C@@H]4CCCN4C[C@H]3C)cc2C)cc1 ZINC000245595579 548954565 /nfs/dbraw/zinc/95/45/65/548954565.db2.gz IISIIICRDDSLEN-WBVHZDCISA-N 0 3 354.454 2.498 10 0 FEAEHN CCOCCN1CCN(Cc2ccc(O[C@H](C)C(=O)OC)cc2)C[C@@H]1C ZINC000245698668 548978632 /nfs/dbraw/zinc/97/86/32/548978632.db2.gz CRJNWOAFZBXKKU-DLBZAZTESA-N 0 3 364.486 2.170 10 0 FEAEHN C[C@H](O)CN1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)C[C@@H]1C ZINC000245756906 548989706 /nfs/dbraw/zinc/98/97/06/548989706.db2.gz OVGFTFWCBZMTDY-STQMWFEESA-N 0 3 350.413 2.242 10 0 FEAEHN O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N[C@H]1CCCn2ncnc21 ZINC000245920064 549019653 /nfs/dbraw/zinc/01/96/53/549019653.db2.gz ZZJVHUMKAPJFLI-HOCLYGCPSA-N 0 3 374.514 2.386 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000246095964 549051297 /nfs/dbraw/zinc/05/12/97/549051297.db2.gz AKNTWJYNPCADOI-BEFAXECRSA-N 0 3 361.486 2.225 10 0 FEAEHN Nc1nc(CN2CCN3CCCC[C@H]3C2)nc(Nc2ccc(F)cc2)n1 ZINC000246124508 549057306 /nfs/dbraw/zinc/05/73/06/549057306.db2.gz BGDSBHYDWGOJLC-HNNXBMFYSA-N 0 3 357.437 2.007 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cccc(-c3ncco3)c2)C1 ZINC000246136509 549060917 /nfs/dbraw/zinc/06/09/17/549060917.db2.gz PHRFRPHMVCLOHR-CZUORRHYSA-N 0 3 356.426 2.125 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](N[C@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000246208101 549078099 /nfs/dbraw/zinc/07/80/99/549078099.db2.gz JWZZIKINUBRAFX-DFBGVHRSSA-N 0 3 354.292 2.294 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](N[C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000246208094 549078125 /nfs/dbraw/zinc/07/81/25/549078125.db2.gz JWZZIKINUBRAFX-BYCMXARLSA-N 0 3 354.292 2.294 10 0 FEAEHN Cc1ccccc1CN1CCCN(C(=O)CN2CCS[C@@H](C)C2)CC1 ZINC000246213806 549080622 /nfs/dbraw/zinc/08/06/22/549080622.db2.gz ZMWFXHNOUSTQIB-SFHVURJKSA-N 0 3 361.555 2.467 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)C1 ZINC000246288723 549097070 /nfs/dbraw/zinc/09/70/70/549097070.db2.gz CDVDFCOCVBLWTN-MLGOLLRUSA-N 0 3 370.453 2.489 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CCN1C[C@H](C)O ZINC000246303353 549101012 /nfs/dbraw/zinc/10/10/12/549101012.db2.gz JFYBRMFSZADBQU-BMGDILEWSA-N 0 3 374.447 2.386 10 0 FEAEHN CC(C)OCc1cccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000246331079 549108032 /nfs/dbraw/zinc/10/80/32/549108032.db2.gz GEVLBLWFNRSFES-CRAIPNDOSA-N 0 3 361.486 2.395 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000246386803 549121246 /nfs/dbraw/zinc/12/12/46/549121246.db2.gz KHCOHKNEDZSFHY-MAUKXSAKSA-N 0 3 374.485 2.009 10 0 FEAEHN C[C@H](CNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)CN1CCN(C)CC1 ZINC000246465954 549139737 /nfs/dbraw/zinc/13/97/37/549139737.db2.gz VFFRMLCNVSEHMK-KFWWJZLASA-N 0 3 364.456 2.290 10 0 FEAEHN CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@H]1CCCN(c2cccnn2)C1 ZINC000246576885 549166910 /nfs/dbraw/zinc/16/69/10/549166910.db2.gz FFWWWDJKDNZFIF-ZWKOTPCHSA-N 0 3 367.453 2.403 10 0 FEAEHN C[C@@H]1CN(C[C@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1N1CCOCC1 ZINC000246604652 549172994 /nfs/dbraw/zinc/17/29/94/549172994.db2.gz HKAADJFOCWLTGM-QGPMSJSTSA-N 0 3 372.431 2.261 10 0 FEAEHN Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CCO[C@@H](CN(C)C)C1 ZINC000246720775 549195709 /nfs/dbraw/zinc/19/57/09/549195709.db2.gz VBMZMSMRMRYGSJ-OALUTQOASA-N 0 3 364.530 2.295 10 0 FEAEHN CC[C@@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CCN1C[C@H](C)O ZINC000246838468 549224271 /nfs/dbraw/zinc/22/42/71/549224271.db2.gz MFNCMXXOWUFFCY-XJKSGUPXSA-N 0 3 360.433 2.133 10 0 FEAEHN C[C@@H](NC[C@H](c1cccs1)N1CCO[C@H](C)C1)C(=O)NC(C)(C)C ZINC000246897719 549237590 /nfs/dbraw/zinc/23/75/90/549237590.db2.gz HLKGSEGLZUNRSK-RBSFLKMASA-N 0 3 353.532 2.403 10 0 FEAEHN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000247076404 549278754 /nfs/dbraw/zinc/27/87/54/549278754.db2.gz JAMIVCSTAVZRQU-VHKYSDTDSA-N 0 3 370.497 2.060 10 0 FEAEHN CN(C)[C@@H](CNC(=O)N1CCN2CCC[C@H]2C1)c1c(F)cccc1F ZINC000247309711 549315256 /nfs/dbraw/zinc/31/52/56/549315256.db2.gz VTVYCDVCGPPYEP-BBRMVZONSA-N 0 3 352.429 2.057 10 0 FEAEHN C[C@H](CNC(=O)N1CCC(Nc2cccnn2)CC1)N1CCC[C@H](C)C1 ZINC000247312915 549315553 /nfs/dbraw/zinc/31/55/53/549315553.db2.gz WESQSOFPMYJVIS-JKSUJKDBSA-N 0 3 360.506 2.183 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)[C@@H](C(=O)OC)c1cc(OC)cc(OC)c1 ZINC000247314348 549316234 /nfs/dbraw/zinc/31/62/34/549316234.db2.gz VRUAMSCHSPOXPA-CRAIPNDOSA-N 0 3 350.459 2.334 10 0 FEAEHN C[C@H](N[C@H]1Cc2ccccc2[C@H]1O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000247314641 549316831 /nfs/dbraw/zinc/31/68/31/549316831.db2.gz KHTYJMKVDATCBB-FASAQXTFSA-N 0 3 360.479 2.246 10 0 FEAEHN Cc1nc(CC(C)C)c(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)s1 ZINC000247318644 549316925 /nfs/dbraw/zinc/31/69/25/549316925.db2.gz INVKFNVBEOKSBV-IUODEOHRSA-N 0 3 366.531 2.433 10 0 FEAEHN Cc1ccc(C)c(OC[C@@H](O)CN(C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000247575976 549361115 /nfs/dbraw/zinc/36/11/15/549361115.db2.gz HTWNLZDBCDAIMK-OALUTQOASA-N 0 3 370.497 2.434 10 0 FEAEHN COc1ccccc1N1CC[C@H](CNC(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000247595766 549364672 /nfs/dbraw/zinc/36/46/72/549364672.db2.gz SHVUSJIFKXCMNZ-SJORKVTESA-N 0 3 358.486 2.011 10 0 FEAEHN C[C@H](NC[C@H]1CN(C)CCO1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000247597821 549364835 /nfs/dbraw/zinc/36/48/35/549364835.db2.gz SUXBVSXNVDJKOL-FTRWYGJKSA-N 0 3 359.514 2.051 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000247667944 549370722 /nfs/dbraw/zinc/37/07/22/549370722.db2.gz YFUJMCGWLTZXDL-WBVHZDCISA-N 0 3 356.474 2.454 10 0 FEAEHN CC[C@@H]1CN(C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CCN1CCOC ZINC000247738169 549375485 /nfs/dbraw/zinc/37/54/85/549375485.db2.gz NDUGIRQQEJGUPX-RTBURBONSA-N 0 3 374.529 2.057 10 0 FEAEHN Cc1ccccc1OC[C@@H](O)CN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247806220 549381803 /nfs/dbraw/zinc/38/18/03/549381803.db2.gz SSOLVJMDQILDKH-ROUUACIJSA-N 0 3 356.470 2.126 10 0 FEAEHN CCOCCN1CCN(CCCOc2ccc3c(c2)OCO3)C[C@H]1C ZINC000247881594 549389495 /nfs/dbraw/zinc/38/94/95/549389495.db2.gz ZJUDMEDYKWBUKK-MRXNPFEDSA-N 0 3 350.459 2.227 10 0 FEAEHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)N[C@@H]1COc2ccccc21 ZINC000248453016 549441472 /nfs/dbraw/zinc/44/14/72/549441472.db2.gz QELFXGGSGFYCIU-IEBWSBKVSA-N 0 3 367.449 2.186 10 0 FEAEHN Cc1ccc(CN2CCCN(C(=O)CN[C@@H](C)[C@H]3CCCO3)CC2)cc1 ZINC000248595291 549464728 /nfs/dbraw/zinc/46/47/28/549464728.db2.gz MFWGPXXBBUWAQP-AZUAARDMSA-N 0 3 359.514 2.186 10 0 FEAEHN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)C1 ZINC000248633711 549472926 /nfs/dbraw/zinc/47/29/26/549472926.db2.gz JCARJPODGBTSCK-IKGGRYGDSA-N 0 3 353.507 2.478 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1OC(F)F ZINC000249212565 549568969 /nfs/dbraw/zinc/56/89/69/549568969.db2.gz SRDCVFWGSAZAKC-OLZOCXBDSA-N 0 3 367.396 2.312 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc2ncccc2c1 ZINC000249232886 549572546 /nfs/dbraw/zinc/57/25/46/549572546.db2.gz VTJPJKZGJXMLLB-IRXDYDNUSA-N 0 3 352.438 2.259 10 0 FEAEHN CCOC(=O)[C@](C)(CNC(=O)N[C@@H]1CCCN(CC)C1)c1ccccc1 ZINC000249261830 549574216 /nfs/dbraw/zinc/57/42/16/549574216.db2.gz HZPOUOLXUQCGCF-YLJYHZDGSA-N 0 3 361.486 2.291 10 0 FEAEHN COc1ccccc1[C@@H](CNC(=O)NC[C@@H]1CCCN1C)N1CCCC1 ZINC000249741162 549622116 /nfs/dbraw/zinc/62/21/16/549622116.db2.gz IPEIKQCZTGKMLU-FUHWJXTLSA-N 0 3 360.502 2.226 10 0 FEAEHN COCc1noc([C@@H]2CN(Cc3ccc4c(c3)CCO4)C[C@H]2COC)n1 ZINC000253396291 549685573 /nfs/dbraw/zinc/68/55/73/549685573.db2.gz AYRYVAQCIHGTJY-JKSUJKDBSA-N 0 3 359.426 2.013 10 0 FEAEHN NC1(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)CCOCC1 ZINC000261649385 549738959 /nfs/dbraw/zinc/73/89/59/549738959.db2.gz AKIWCGYNYONAGY-UHFFFAOYSA-N 0 3 354.332 2.338 10 0 FEAEHN NC1(C(=O)NCC2(c3cccc(Br)c3)CCC2)CCOCC1 ZINC000261898981 549767695 /nfs/dbraw/zinc/76/76/95/549767695.db2.gz RLNAKHADYHHHPY-UHFFFAOYSA-N 0 3 367.287 2.495 10 0 FEAEHN CN(CC(C)(C)C)C(=O)c1cccc(-c2nc([C@@H]3CNCCN3C)no2)c1 ZINC000263186031 549884049 /nfs/dbraw/zinc/88/40/49/549884049.db2.gz HIIZZHALVOQHOD-INIZCTEOSA-N 0 3 371.485 2.431 10 0 FEAEHN CN(C)[C@@H](c1nc([C@@H]2CNCCN2C)no1)c1c(F)cccc1Cl ZINC000263284667 549892106 /nfs/dbraw/zinc/89/21/06/549892106.db2.gz UUPMPQBRVBXFTK-GXTWGEPZSA-N 0 3 353.829 2.089 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2cnc(Cc3ccc(F)cc3)s2)n1 ZINC000263287670 549892457 /nfs/dbraw/zinc/89/24/57/549892457.db2.gz VIANGXDGYGCTHC-CYBMUJFWSA-N 0 3 359.430 2.499 10 0 FEAEHN CN1CCC[C@H](N2CCN(c3nn4cc(C(C)(C)C)nc4s3)CC2)C1 ZINC000301270020 553637459 /nfs/dbraw/zinc/63/74/59/553637459.db2.gz HMSGMFUCIFKSQS-AWEZNQCLSA-N 0 3 362.547 2.305 10 0 FEAEHN CCCN1CCCN(c2ncccc2S(=O)(=O)N2CCCCC2)CC1 ZINC000301388647 553648223 /nfs/dbraw/zinc/64/82/23/553648223.db2.gz DZABAQITPFEBBY-UHFFFAOYSA-N 0 3 366.531 2.178 10 0 FEAEHN CC(=O)N(Cc1cncnc1)[C@H]1CCCN(CCOCC(F)(F)F)CC1 ZINC000328653857 553802466 /nfs/dbraw/zinc/80/24/66/553802466.db2.gz XAOFSXKTUUVAON-INIZCTEOSA-N 0 3 374.407 2.259 10 0 FEAEHN C[C@@H]1CCc2ccccc2N1C(=O)CN1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000374071888 557817959 /nfs/dbraw/zinc/81/79/59/557817959.db2.gz KSQLLLIHPJOXEV-RARDXLECSA-N 0 3 358.482 2.216 10 0 FEAEHN C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000375435150 558026453 /nfs/dbraw/zinc/02/64/53/558026453.db2.gz XAZJEUYQPQPHAB-QRDBEPQCSA-N 0 3 352.519 2.322 10 0 FEAEHN CCN1CCC[C@@H](CN(C)C(=O)c2ccc(=O)[nH]c2)[C@@H]1c1cnn(C)c1 ZINC000583622932 570811456 /nfs/dbraw/zinc/81/14/56/570811456.db2.gz HKJPVWQLVRVHJX-MAUKXSAKSA-N 0 3 357.458 2.066 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)C1 ZINC000125757409 672016177 /nfs/dbraw/zinc/01/61/77/672016177.db2.gz RHTPYKGNJFBWKL-PBHICJAKSA-N 0 3 351.516 2.076 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 ZINC000237005915 672805528 /nfs/dbraw/zinc/80/55/28/672805528.db2.gz MZXCWTPUEFLXBY-MLGOLLRUSA-N 0 3 355.504 2.337 10 0 FEAEHN COC(=O)/C=C1\SCC(=O)N1CCCN1CCC[C@H]1c1ccco1 ZINC000255500139 672891779 /nfs/dbraw/zinc/89/17/79/672891779.db2.gz WRQWQDMFARKKQP-RERGGYADSA-N 0 3 350.440 2.396 10 0 FEAEHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2cnc(NC3CC3)s2)C1 ZINC000908115147 691616957 /nfs/dbraw/zinc/61/69/57/691616957.db2.gz MURVDUSAYPCOOG-KBPBESRZSA-N 0 3 350.488 2.043 10 0 FEAEHN CN(C)CCN1c2ccccc2S[C@@H](c2ccc(O)cc2)[C@H](O)C1=O ZINC000003599456 539371361 /nfs/dbraw/zinc/37/13/61/539371361.db2.gz QYKYTLTVPBXRNC-ROUUACIJSA-N 0 3 358.463 2.495 10 0 FEAEHN Cc1cc(CNCc2ccc(OC[C@H](O)CN3CCCCC3)cc2)nn1C ZINC000012454075 539561234 /nfs/dbraw/zinc/56/12/34/539561234.db2.gz BFXIDJLNIQNINO-HXUWFJFHSA-N 0 3 372.513 2.244 10 0 FEAEHN CN(C)C[C@H](NC(=O)c1ccc(=O)n(-c2ccccc2)n1)c1ccccc1 ZINC000024757807 539739732 /nfs/dbraw/zinc/73/97/32/539739732.db2.gz CLHIFINXLZQQDR-IBGZPJMESA-N 0 3 362.433 2.265 10 0 FEAEHN O=C(NCCCSc1ccc(F)cc1)NC[C@@H](O)CN1CCCCC1 ZINC000049172689 540383137 /nfs/dbraw/zinc/38/31/37/540383137.db2.gz REUYGUSAPGOSOW-MRXNPFEDSA-N 0 3 369.506 2.454 10 0 FEAEHN O=C(NCCSCc1ccccc1F)NC[C@@H](O)CN1CCCCC1 ZINC000049173213 540383664 /nfs/dbraw/zinc/38/36/64/540383664.db2.gz QDWHSCHZTQDACN-MRXNPFEDSA-N 0 3 369.506 2.205 10 0 FEAEHN CN(C)C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1 ZINC000052852892 540494229 /nfs/dbraw/zinc/49/42/29/540494229.db2.gz KPFODUDHZQSVCD-WMZOPIPTSA-N 0 3 355.438 2.047 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)N[C@H]1CCc2c1cccc2Cl ZINC000056901668 540754551 /nfs/dbraw/zinc/75/45/51/540754551.db2.gz LQIFODKKQPXXFS-GUYCJALGSA-N 0 3 351.878 2.473 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)C1 ZINC000062652152 541153206 /nfs/dbraw/zinc/15/32/06/541153206.db2.gz NZVMRPPDYNJAED-SJORKVTESA-N 0 3 373.501 2.234 10 0 FEAEHN CCN1CCC[C@H](NC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)C1 ZINC000065516152 541242618 /nfs/dbraw/zinc/24/26/18/541242618.db2.gz ODJCDTNJIKETGH-SFHVURJKSA-N 0 3 369.469 2.126 10 0 FEAEHN CCN1CCN(c2ccc(C(=O)N[C@@H]3CCCN(CC)C3)cc2F)CC1 ZINC000066921990 541393929 /nfs/dbraw/zinc/39/39/29/541393929.db2.gz OULPDGNSRVHNII-QGZVFWFLSA-N 0 3 362.493 2.182 10 0 FEAEHN CC(=O)c1cccc(OC[C@H](O)CN2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000247392315 549328387 /nfs/dbraw/zinc/32/83/87/549328387.db2.gz QGUWBCMKPQYUMN-PKOBYXMFSA-N 0 3 369.465 2.458 10 0 FEAEHN CSC[C@@H](CCO)NC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000077798829 542421842 /nfs/dbraw/zinc/42/18/42/542421842.db2.gz PQICFNQRPMEYCK-QZTJIDSGSA-N 0 3 365.543 2.454 10 0 FEAEHN CN(C)c1cnnc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)c1 ZINC000224313307 132282891 /nfs/dbraw/zinc/28/28/91/132282891.db2.gz NNHRXXHMZXOKFK-UHFFFAOYSA-N 0 3 362.384 2.175 10 0 FEAEHN C[C@@H]1CN(CC2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)C[C@@H](C)O1 ZINC000091478825 542809676 /nfs/dbraw/zinc/80/96/76/542809676.db2.gz WLFODYQWTCHSTI-HUUCEWRRSA-N 0 3 370.501 2.327 10 0 FEAEHN Cc1cccc(OC[C@H](O)CNC(=O)N[C@@H](CC(C)C)CN(C)C)c1 ZINC000098118101 543022298 /nfs/dbraw/zinc/02/22/98/543022298.db2.gz CQYWFPWHEUGSAK-DLBZAZTESA-N 0 3 351.491 2.010 10 0 FEAEHN CCCC(=O)N[C@H]1CCCN(CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000101564230 543033434 /nfs/dbraw/zinc/03/34/34/543033434.db2.gz LYTAEIXTQHCWRZ-INIZCTEOSA-N 0 3 360.458 2.106 10 0 FEAEHN C[C@H](NC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000105146273 543161747 /nfs/dbraw/zinc/16/17/47/543161747.db2.gz DHPFCBRYTQLOPH-AZUAARDMSA-N 0 3 374.529 2.013 10 0 FEAEHN Cc1ccc(OC[C@@H](O)CN(C)[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000106076811 543190871 /nfs/dbraw/zinc/19/08/71/543190871.db2.gz GFYIZMBHNDMGLQ-MSOLQXFVSA-N 0 3 356.470 2.126 10 0 FEAEHN Cc1cccc(C)c1OC[C@@H](O)CN(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106076828 543191020 /nfs/dbraw/zinc/19/10/20/543191020.db2.gz YJYMFQAFBLRINH-MOPGFXCFSA-N 0 3 370.497 2.434 10 0 FEAEHN O=C(CCN1CCC(Nc2cccnn2)CC1)NC(=O)Nc1ccccc1 ZINC000106081585 543192483 /nfs/dbraw/zinc/19/24/83/543192483.db2.gz NVDAPYMZEPFAQO-UHFFFAOYSA-N 0 3 368.441 2.091 10 0 FEAEHN CN(Cc1ccc(C(N)=O)cc1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106161447 543211227 /nfs/dbraw/zinc/21/12/27/543211227.db2.gz JVUQYZUCLRSLEX-KRWDZBQOSA-N 0 3 359.495 2.352 10 0 FEAEHN Cn1cc(CN2CCCN(CCC(=O)Nc3ccccc3F)CC2)cn1 ZINC000106155150 543209903 /nfs/dbraw/zinc/20/99/03/543209903.db2.gz MIVICZVCCMUBME-UHFFFAOYSA-N 0 3 359.449 2.096 10 0 FEAEHN CCOCCN1CCN(C[C@H](O)COc2c(C)cccc2C)C[C@@H]1CC ZINC000106117493 543202282 /nfs/dbraw/zinc/20/22/82/543202282.db2.gz ZIRICMFGFNXNFR-PMACEKPBSA-N 0 3 364.530 2.476 10 0 FEAEHN Cc1ccc(CN(C(=O)CN2CCC[C@@H](Cn3cncn3)C2)C2CC2)cc1 ZINC000106171969 543211738 /nfs/dbraw/zinc/21/17/38/543211738.db2.gz HTJFAKXQPZRLTQ-LJQANCHMSA-N 0 3 367.497 2.490 10 0 FEAEHN CN(C)C[C@@H]1CN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CCO1 ZINC000108952086 543309000 /nfs/dbraw/zinc/30/90/00/543309000.db2.gz ISEDOCGHLGWHJC-CQSZACIVSA-N 0 3 361.446 2.364 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000111836818 543418833 /nfs/dbraw/zinc/41/88/33/543418833.db2.gz ZIOLTIVBBUNIEC-DZGCQCFKSA-N 0 3 364.877 2.229 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCN(c3nc4cc(C)ccc4o3)CC2)C1 ZINC000112444596 543446728 /nfs/dbraw/zinc/44/67/28/543446728.db2.gz RXMDJZCRVZVPTN-MRXNPFEDSA-N 0 3 371.485 2.452 10 0 FEAEHN Cc1ccc2oc(N3CCN(C(=O)NC[C@@H](C)N(C)C4CC4)CC3)nc2c1 ZINC000112452800 543447279 /nfs/dbraw/zinc/44/72/79/543447279.db2.gz VNIWVGHZONTJKQ-OAHLLOKOSA-N 0 3 371.485 2.451 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)Nc1ccc(SC)cc1)CC2 ZINC000112550840 543451508 /nfs/dbraw/zinc/45/15/08/543451508.db2.gz OZBSHGBIHPDPQB-GXTWGEPZSA-N 0 3 359.499 2.494 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)COC3CCCCC3)CC2)nc1 ZINC000114414914 543514643 /nfs/dbraw/zinc/51/46/43/543514643.db2.gz JOFHMUZBAMDPIZ-UHFFFAOYSA-N 0 3 360.502 2.141 10 0 FEAEHN C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCO[C@H](CN(C)C)C1 ZINC000114803121 543537424 /nfs/dbraw/zinc/53/74/24/543537424.db2.gz JQGSOOVCFKVJGY-ZIAGYGMSSA-N 0 3 371.884 2.088 10 0 FEAEHN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)CC2 ZINC000114946209 543546807 /nfs/dbraw/zinc/54/68/07/543546807.db2.gz XXUBQRQBXAZYHY-SJORKVTESA-N 0 3 370.501 2.066 10 0 FEAEHN CN(C)C[C@@H]1CN([C@@H]2CCCN(c3ccccc3Cl)C2=O)CCO1 ZINC000119302594 543665782 /nfs/dbraw/zinc/66/57/82/543665782.db2.gz XVNCJMIPXIOXOW-RHSMWYFYSA-N 0 3 351.878 2.098 10 0 FEAEHN CN(C)C(=O)[C@H]1CCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000123677144 543776735 /nfs/dbraw/zinc/77/67/35/543776735.db2.gz JJCWPVXGFWXWEI-FUHWJXTLSA-N 0 3 361.461 2.117 10 0 FEAEHN Cc1ccc(OC(F)F)c(CNC(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000125432205 543881435 /nfs/dbraw/zinc/88/14/35/543881435.db2.gz WYCVTJKORBSRMO-OAHLLOKOSA-N 0 3 371.428 2.242 10 0 FEAEHN CCC[C@@H](C(=O)N1CCN(C(=O)CCCc2ccccc2)CC1)N(C)C ZINC000128252863 544041642 /nfs/dbraw/zinc/04/16/42/544041642.db2.gz GBMKQLZNBOYLHR-IBGZPJMESA-N 0 3 359.514 2.410 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000128919918 544080693 /nfs/dbraw/zinc/08/06/93/544080693.db2.gz SKHCXAVAHPVSBR-JZXOWHBKSA-N 0 3 362.518 2.401 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1N1CCCC1 ZINC000129483065 544114790 /nfs/dbraw/zinc/11/47/90/544114790.db2.gz OKKHBVZBXPGSBE-QGZVFWFLSA-N 0 3 372.513 2.462 10 0 FEAEHN CN(Cc1cccc(Br)c1)C(=O)C(C)(C)N1CCNCC1 ZINC000129672738 544122611 /nfs/dbraw/zinc/12/26/11/544122611.db2.gz GBIDFEYCQQHLGN-UHFFFAOYSA-N 0 3 354.292 2.091 10 0 FEAEHN Cc1csc([C@H]2CCCN(C[C@@H]3CCCN(S(C)(=O)=O)C3)C2)n1 ZINC000131271666 544183206 /nfs/dbraw/zinc/18/32/06/544183206.db2.gz SRDWBIBZDMRXLX-GJZGRUSLSA-N 0 3 357.545 2.303 10 0 FEAEHN COc1ccccc1N1CCN(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)CC1 ZINC000132538359 544234937 /nfs/dbraw/zinc/23/49/37/544234937.db2.gz OGUUNIPVQZQIMR-IRXDYDNUSA-N 0 3 360.502 2.256 10 0 FEAEHN C[C@@H](NC(=O)c1ccco1)C(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000133240494 544261321 /nfs/dbraw/zinc/26/13/21/544261321.db2.gz HRPHVSASCMQKFM-OAHLLOKOSA-N 0 3 357.454 2.425 10 0 FEAEHN CSCCc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000150786077 544471990 /nfs/dbraw/zinc/47/19/90/544471990.db2.gz HHNLJSOERRPJBH-PBHICJAKSA-N 0 3 363.527 2.376 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC000150804476 544473961 /nfs/dbraw/zinc/47/39/61/544473961.db2.gz PKODZOUHGHYHBK-FZMZJTMJSA-N 0 3 373.375 2.369 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@H](c1ccccc1)N1CCCCC1=O ZINC000247517717 549348911 /nfs/dbraw/zinc/34/89/11/549348911.db2.gz WLETWNXIFJFQQZ-KPFFTGBYSA-N 0 3 355.482 2.435 10 0 FEAEHN CC(C)(CNC(=O)N1CCC(Nc2cccnn2)CC1)N1CCCCC1 ZINC000152915296 544710961 /nfs/dbraw/zinc/71/09/61/544710961.db2.gz NVKVDPAVELYHQW-UHFFFAOYSA-N 0 3 360.506 2.327 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2cc(F)ccc2Br)CCO1 ZINC000181234085 327721612 /nfs/dbraw/zinc/72/16/12/327721612.db2.gz HGGLTXFNRLHWLE-NSHDSACASA-N 0 3 360.227 2.383 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)NCCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000182182164 327764254 /nfs/dbraw/zinc/76/42/54/327764254.db2.gz BCKNAXUPALOEJI-HNNXBMFYSA-N 0 3 361.421 2.154 10 0 FEAEHN COc1ccc(CN(C)C(=O)[C@H](C)N[C@H](C)[C@H]2CCCO2)cc1OC ZINC000183124002 327802922 /nfs/dbraw/zinc/80/29/22/327802922.db2.gz CAUFJDGDNGLMQB-IJEWVQPXSA-N 0 3 350.459 2.208 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)CCO1 ZINC000187069635 328000552 /nfs/dbraw/zinc/00/05/52/328000552.db2.gz JKJLVWZVDVYWGZ-IBGZPJMESA-N 0 3 368.433 2.026 10 0 FEAEHN CCN(CCO)CCNC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000187371729 328020561 /nfs/dbraw/zinc/02/05/61/328020561.db2.gz KPFFPCOAVNSEQK-QGZVFWFLSA-N 0 3 361.486 2.436 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NCC2CCN(CC(F)(F)F)CC2)C1 ZINC000187717845 328041847 /nfs/dbraw/zinc/04/18/47/328041847.db2.gz QDGJPTDXDVPYGR-CQSZACIVSA-N 0 3 350.429 2.044 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(OC)cc1OCCOC ZINC000188538018 328093588 /nfs/dbraw/zinc/09/35/88/328093588.db2.gz YISYBXDXNDBEHP-HNNXBMFYSA-N 0 3 350.459 2.277 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000190100118 328188225 /nfs/dbraw/zinc/18/82/25/328188225.db2.gz BPCIKPAUNLENTF-IUODEOHRSA-N 0 3 369.387 2.425 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)c1ccsc1 ZINC000190200720 328194028 /nfs/dbraw/zinc/19/40/28/328194028.db2.gz AGTPWFOMONGATN-MRXNPFEDSA-N 0 3 364.515 2.051 10 0 FEAEHN COC(=O)c1scc(C)c1S(=O)(=O)NC[C@H]1CCCN1CC(C)C ZINC000190317724 328200103 /nfs/dbraw/zinc/20/01/03/328200103.db2.gz DNWINTJRAAYWAF-CYBMUJFWSA-N 0 3 374.528 2.242 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc2ncccc2c1 ZINC000190338885 328201069 /nfs/dbraw/zinc/20/10/69/328201069.db2.gz VTJPJKZGJXMLLB-IAGOWNOFSA-N 0 3 352.438 2.259 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000190354423 328202342 /nfs/dbraw/zinc/20/23/42/328202342.db2.gz WFXMMBPRVQSOBN-JKSUJKDBSA-N 0 3 367.453 2.100 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(c2ncc(C(N)=O)cc2Cl)C1 ZINC000190448894 328208245 /nfs/dbraw/zinc/20/82/45/328208245.db2.gz DNIASPLJONXADQ-AWEZNQCLSA-N 0 3 359.861 2.187 10 0 FEAEHN CCN(C)C(=O)[C@@H](C)NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000190407472 328205651 /nfs/dbraw/zinc/20/56/51/328205651.db2.gz BJPMHPAVKJYPEE-AEFFLSMTSA-N 0 3 360.502 2.207 10 0 FEAEHN CCC[C@@H](C(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1)N(C)C ZINC000190516646 328213081 /nfs/dbraw/zinc/21/30/81/328213081.db2.gz MRPXCHBJBZLJTA-CVEARBPZSA-N 0 3 352.548 2.462 10 0 FEAEHN Cc1nnsc1C(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000190565880 328216555 /nfs/dbraw/zinc/21/65/55/328216555.db2.gz VAWHMGIRWMXSCX-QGZVFWFLSA-N 0 3 374.510 2.364 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc3c(c2)OCCO3)C1 ZINC000190627619 328220565 /nfs/dbraw/zinc/22/05/65/328220565.db2.gz CXYNSMSVRPOQMC-KRWDZBQOSA-N 0 3 367.449 2.447 10 0 FEAEHN CN(C)c1ccc(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)cn1 ZINC000190640413 328221250 /nfs/dbraw/zinc/22/12/50/328221250.db2.gz MXNRVVBBOKWXEK-KRWDZBQOSA-N 0 3 353.470 2.137 10 0 FEAEHN COC(=O)C1CCC(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)CC1 ZINC000190645695 328221782 /nfs/dbraw/zinc/22/17/82/328221782.db2.gz BWWZRSXJRJUSCW-VIQWUECVSA-N 0 3 373.497 2.341 10 0 FEAEHN COC(=O)CCCC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000190711706 328226880 /nfs/dbraw/zinc/22/68/80/328226880.db2.gz FIZRILHBJGSQTK-CQSZACIVSA-N 0 3 353.488 2.075 10 0 FEAEHN COc1cc(CNC(=O)[C@H]2CCCO[C@H]2C)ccc1OCCN(C)C ZINC000190896679 328239048 /nfs/dbraw/zinc/23/90/48/328239048.db2.gz KMNJUYKYHIHAGL-HOCLYGCPSA-N 0 3 350.459 2.067 10 0 FEAEHN CN1C(=O)C[C@H](NC[C@H](O)COC(C)(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000192152000 328303180 /nfs/dbraw/zinc/30/31/80/328303180.db2.gz BRMBBUIXVYHCQW-YQQAZPJKSA-N 0 3 354.878 2.377 10 0 FEAEHN COc1cc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)ccc1Cl ZINC000193146114 328359510 /nfs/dbraw/zinc/35/95/10/328359510.db2.gz LUAWOYQKNYSQLC-FZMZJTMJSA-N 0 3 353.850 2.132 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Cl)c(OC)c1 ZINC000193415361 328373906 /nfs/dbraw/zinc/37/39/06/328373906.db2.gz OQWUVYFUECNVGR-ZIAGYGMSSA-N 0 3 365.861 2.372 10 0 FEAEHN O=S(=O)(N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000193441849 328375759 /nfs/dbraw/zinc/37/57/59/328375759.db2.gz UXOSXISLBCOXBE-WMLDXEAASA-N 0 3 352.406 2.389 10 0 FEAEHN CN(C)C[C@H](NC(=O)CNC(=O)c1ccc(F)cc1F)c1ccccc1 ZINC000041837860 324513873 /nfs/dbraw/zinc/51/38/73/324513873.db2.gz XQGZOAAYJWSRDC-KRWDZBQOSA-N 0 3 361.392 2.114 10 0 FEAEHN CN(C)C[C@H](NC(=O)NCc1ccc(C(=O)N(C)C)cc1)c1ccccc1 ZINC000048217013 324657635 /nfs/dbraw/zinc/65/76/35/324657635.db2.gz AJYJQDBXKNZFJS-IBGZPJMESA-N 0 3 368.481 2.491 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)N1CCC[C@H](NC(C)=O)C1)c1ccsc1 ZINC000079251099 325083482 /nfs/dbraw/zinc/08/34/82/325083482.db2.gz VAUADSJLZLLQJK-DLBZAZTESA-N 0 3 366.531 2.441 10 0 FEAEHN Cc1cn2c(ncc(C(=O)N[C@H](CN(C)C)c3ccccc3)c2=O)s1 ZINC000092861505 325428019 /nfs/dbraw/zinc/42/80/19/325428019.db2.gz IUXSYFYGUOIDEW-OAHLLOKOSA-N 0 3 356.451 2.097 10 0 FEAEHN CN(Cc1cnn(-c2ccccc2)n1)C1CCN(CCn2cccn2)CC1 ZINC000106128945 325584530 /nfs/dbraw/zinc/58/45/30/325584530.db2.gz VMXLVRVECMBHKN-UHFFFAOYSA-N 0 3 365.485 2.060 10 0 FEAEHN Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCCN3CCC(C)CC3)C2)n1 ZINC000117031880 326048277 /nfs/dbraw/zinc/04/82/77/326048277.db2.gz RCHCFHVSVMPOSO-SFHVURJKSA-N 0 3 362.522 2.048 10 0 FEAEHN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000118803861 326103786 /nfs/dbraw/zinc/10/37/86/326103786.db2.gz STJVWBLXEXADMC-MRXNPFEDSA-N 0 3 362.474 2.384 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)CCO1 ZINC000118806285 326103820 /nfs/dbraw/zinc/10/38/20/326103820.db2.gz MCHDBUGZGNADAW-INIZCTEOSA-N 0 3 362.474 2.009 10 0 FEAEHN CCN1CCC[C@H](NC(=O)CCc2ccc(S(=O)(=O)CC)cc2)C1 ZINC000119040777 326121067 /nfs/dbraw/zinc/12/10/67/326121067.db2.gz HIZGWQIRJCFPPD-INIZCTEOSA-N 0 3 352.500 2.013 10 0 FEAEHN COc1cccc(C(C)(C)CNC(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000120191920 326239263 /nfs/dbraw/zinc/23/92/63/326239263.db2.gz ZKPXOKHRTAUSHE-QGZVFWFLSA-N 0 3 363.502 2.119 10 0 FEAEHN CN(C)C[C@@H]1CN(Cc2nc3cc(C(F)(F)F)ccc3n2C)CCO1 ZINC000128127633 326518434 /nfs/dbraw/zinc/51/84/34/326518434.db2.gz AAVRRCMNFLZPPM-CYBMUJFWSA-N 0 3 356.392 2.355 10 0 FEAEHN Cc1cc(CC(=O)N(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)[nH]n1 ZINC000131946448 326584682 /nfs/dbraw/zinc/58/46/82/326584682.db2.gz GQCJGMVVLOULJU-HXUWFJFHSA-N 0 3 370.497 2.165 10 0 FEAEHN CCC[C@H](C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1)N(C)C ZINC000133506735 326609985 /nfs/dbraw/zinc/60/99/85/326609985.db2.gz INVCINZIRPEUSN-OAHLLOKOSA-N 0 3 369.868 2.494 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2cccc(CCC(F)(F)F)c2)C1 ZINC000151460393 326683071 /nfs/dbraw/zinc/68/30/71/326683071.db2.gz TZZFGSMCSUHOGI-AWEZNQCLSA-N 0 3 357.376 2.283 10 0 FEAEHN CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000152946599 326720338 /nfs/dbraw/zinc/72/03/38/326720338.db2.gz JOTZAMDBFQCFGC-KRWDZBQOSA-N 0 3 374.485 2.140 10 0 FEAEHN CCC[C@@H](C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1)N(C)C ZINC000161793351 327009477 /nfs/dbraw/zinc/00/94/77/327009477.db2.gz GDHSWZYFOVGPDD-ROUUACIJSA-N 0 3 351.466 2.046 10 0 FEAEHN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)N2CC[C@H](N(C)C)C2)C1 ZINC000170836687 327101689 /nfs/dbraw/zinc/10/16/89/327101689.db2.gz OWXOTPUABABJCN-CABCVRRESA-N 0 3 366.893 2.273 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)N2CC3(CCCC3)c3c2cccc3F)C1 ZINC000170843671 327102158 /nfs/dbraw/zinc/10/21/58/327102158.db2.gz HVTKWEPSXSUHQW-AWEZNQCLSA-N 0 3 359.445 2.147 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)Cc2csc(NC(=O)c3ccccc3)n2)C1 ZINC000170856023 327103030 /nfs/dbraw/zinc/10/30/30/327103030.db2.gz KMSJWJVXPCRMHE-OAHLLOKOSA-N 0 3 358.467 2.100 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000170867959 327104081 /nfs/dbraw/zinc/10/40/81/327104081.db2.gz SWIFEEQDNFBIAP-COZJESOBSA-N 0 3 373.541 2.356 10 0 FEAEHN CN(C)C[C@H](NC(=O)Nc1cc(-n2cnnn2)ccc1F)c1ccccc1 ZINC000171212856 327125110 /nfs/dbraw/zinc/12/51/10/327125110.db2.gz HMNIGLNAJNGOTP-KRWDZBQOSA-N 0 3 369.404 2.226 10 0 FEAEHN Cc1cccc2[nH]cc(CCNC(=O)NC[C@@H](O)CN3CCCCC3)c21 ZINC000171376675 327135698 /nfs/dbraw/zinc/13/56/98/327135698.db2.gz XIQYCNPCMVIYOS-QGZVFWFLSA-N 0 3 358.486 2.165 10 0 FEAEHN CN(C)CCOc1cccc(CNC(=O)N2CCC[C@H]2c2cnn(C)c2)c1 ZINC000171461063 327141144 /nfs/dbraw/zinc/14/11/44/327141144.db2.gz VXFKONPNUKNETF-IBGZPJMESA-N 0 3 371.485 2.407 10 0 FEAEHN COc1ccccc1C(C)(C)NC[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000171672860 327154255 /nfs/dbraw/zinc/15/42/55/327154255.db2.gz QZFNMZBUYFHEGY-CQSZACIVSA-N 0 3 368.433 2.177 10 0 FEAEHN C[C@H]1CN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCS1 ZINC000171691423 327155471 /nfs/dbraw/zinc/15/54/71/327155471.db2.gz QGMBVIOOOSNMOF-HNNXBMFYSA-N 0 3 351.491 2.302 10 0 FEAEHN CC[C@H](C)NC(=O)c1cccc(CNC(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000171901002 327168760 /nfs/dbraw/zinc/16/87/60/327168760.db2.gz FJZBIKFGAGBJSJ-MAUKXSAKSA-N 0 3 358.486 2.205 10 0 FEAEHN C[C@@H](NC(=O)N1CCN2CCC[C@@H]2C1)c1ccc(N2CCOC2=O)cc1 ZINC000171904806 327169314 /nfs/dbraw/zinc/16/93/14/327169314.db2.gz PIJCWIKMWJVGRQ-RHSMWYFYSA-N 0 3 358.442 2.194 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)CCO1 ZINC000172127433 327182406 /nfs/dbraw/zinc/18/24/06/327182406.db2.gz SUPSVIBNWUEYAL-SWLSCSKDSA-N 0 3 353.850 2.136 10 0 FEAEHN Cc1cnn(CCNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1 ZINC000173205214 327241224 /nfs/dbraw/zinc/24/12/24/327241224.db2.gz ALLSFSPAOIWOLY-GOSISDBHSA-N 0 3 355.486 2.498 10 0 FEAEHN C[C@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)Oc1ccc(Cl)cc1 ZINC000173446575 327257842 /nfs/dbraw/zinc/25/78/42/327257842.db2.gz SIPNSKLEAORQAV-CJNGLKHVSA-N 0 3 355.866 2.079 10 0 FEAEHN C[C@@H](NC(=O)NC[C@@H](O)CN1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000173454673 327258388 /nfs/dbraw/zinc/25/83/88/327258388.db2.gz DJEVXGXRMTZTTQ-VQIMIIECSA-N 0 3 371.485 2.079 10 0 FEAEHN COCCN(C)CCCNC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173485708 327260809 /nfs/dbraw/zinc/26/08/09/327260809.db2.gz CPHOCBZCJPXSMT-HNNXBMFYSA-N 0 3 354.520 2.309 10 0 FEAEHN C[C@@H](NC(C)(C)CNC(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000173909756 327293643 /nfs/dbraw/zinc/29/36/43/327293643.db2.gz MWPBFLLZNRSPRK-IEBWSBKVSA-N 0 3 374.529 2.232 10 0 FEAEHN C[C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@H]1N1CCOCC1 ZINC000173961745 327298134 /nfs/dbraw/zinc/29/81/34/327298134.db2.gz SPSIBDQFGYZCMV-YLJYHZDGSA-N 0 3 357.498 2.075 10 0 FEAEHN CNc1cc(N2CCC[C@H]2CN[C@H](C)C(=O)Nc2ccccc2)ncn1 ZINC000174286403 327317377 /nfs/dbraw/zinc/31/73/77/327317377.db2.gz XMEGRPHVZLHPOF-ZBFHGGJFSA-N 0 3 354.458 2.104 10 0 FEAEHN CCNC(=O)N1CCc2ccc(NC(=O)N3CCN4CCC[C@H]4C3)cc21 ZINC000174858107 327355585 /nfs/dbraw/zinc/35/55/85/327355585.db2.gz BMJIZPVPJDLUAO-INIZCTEOSA-N 0 3 357.458 2.091 10 0 FEAEHN CSC[C@@H](C)NC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000175087255 327373183 /nfs/dbraw/zinc/37/31/83/327373183.db2.gz WRJLWTDCWSVUIV-QAPCUYQASA-N 0 3 365.543 2.483 10 0 FEAEHN Cc1ccc([C@H](CN[C@H](C)C(=O)N(C)C(C)C)N2CCOCC2)s1 ZINC000175198184 327379379 /nfs/dbraw/zinc/37/93/79/327379379.db2.gz YWCQMHBDYCDFHW-CVEARBPZSA-N 0 3 353.532 2.275 10 0 FEAEHN CCN1CCC[C@H]1CN(C)CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000175350222 327388558 /nfs/dbraw/zinc/38/85/58/327388558.db2.gz PCWZOWUEZWYQGX-INIZCTEOSA-N 0 3 369.456 2.363 10 0 FEAEHN C[C@@H](CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)N1CCOCC1 ZINC000175772070 327412103 /nfs/dbraw/zinc/41/21/03/327412103.db2.gz DWMYXVAKVGTPOK-SFHVURJKSA-N 0 3 374.529 2.013 10 0 FEAEHN CC1CCN([C@H](CNC(=O)C2(N)CCOCC2)c2cccs2)CC1 ZINC000261863762 328825133 /nfs/dbraw/zinc/82/51/33/328825133.db2.gz NIMAETUFWARYQN-OAHLLOKOSA-N 0 3 351.516 2.145 10 0 FEAEHN CC(C)OCCOCc1cccc(NC(=O)[C@H](N)C2CCOCC2)c1 ZINC000261883683 328826915 /nfs/dbraw/zinc/82/69/15/328826915.db2.gz UWEVBTOQQNZDSU-GOSISDBHSA-N 0 3 350.459 2.321 10 0 FEAEHN CN1CCNC[C@H]1c1noc(CSCC(=O)c2ccc(Cl)cc2)n1 ZINC000263291665 328930847 /nfs/dbraw/zinc/93/08/47/328930847.db2.gz VSRNGMGANGBDSL-ZDUSSCGKSA-N 0 3 366.874 2.415 10 0 FEAEHN Cc1c(NC(=O)NC[C@@H](O)CN2CCCCC2)cnn1-c1ccccc1 ZINC000156886547 545672935 /nfs/dbraw/zinc/67/29/35/545672935.db2.gz VMEBVYVGZGLMAG-QGZVFWFLSA-N 0 3 357.458 2.149 10 0 FEAEHN C[C@@H](O)CN1CCN(CCc2nc(-c3ccc(Cl)cc3)no2)C[C@H]1C ZINC000157942481 545802879 /nfs/dbraw/zinc/80/28/79/545802879.db2.gz NOASRDXTSRDMOB-ZIAGYGMSSA-N 0 3 364.877 2.319 10 0 FEAEHN CC[C@@H]1CN(CCOc2ccc3c(C)cc(=O)oc3c2)CCN1C[C@@H](C)O ZINC000157943141 545803636 /nfs/dbraw/zinc/80/36/36/545803636.db2.gz VUAHHETUQYGFES-IAGOWNOFSA-N 0 3 374.481 2.257 10 0 FEAEHN CCN(C(=O)NC[C@@H](C)N1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000159128088 545924312 /nfs/dbraw/zinc/92/43/12/545924312.db2.gz CMHWQBLEHFPDKW-UYAOXDASSA-N 0 3 374.529 2.013 10 0 FEAEHN O=C(NC[C@H](O)CN1CCc2ccccc2C1)C1(c2ccccc2)CC1 ZINC000159178248 545928376 /nfs/dbraw/zinc/92/83/76/545928376.db2.gz YAWQALCDAYRWOZ-FQEVSTJZSA-N 0 3 350.462 2.254 10 0 FEAEHN CCCCS[C@@H](C)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000159278640 545938741 /nfs/dbraw/zinc/93/87/41/545938741.db2.gz FYPHVMKPOKDCBR-YJBOKZPZSA-N 0 3 350.528 2.444 10 0 FEAEHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CC[C@H](Cc2ccccc2)C1 ZINC000172854399 546268634 /nfs/dbraw/zinc/26/86/34/546268634.db2.gz OLYUPOQNFWRFEB-MSOLQXFVSA-N 0 3 364.445 2.208 10 0 FEAEHN CN(C)CCN1CCC(NC(=O)N2CCCC[C@@H]2c2nccs2)CC1 ZINC000176196290 546418564 /nfs/dbraw/zinc/41/85/64/546418564.db2.gz KGWDXMAQIZIVHT-MRXNPFEDSA-N 0 3 365.547 2.406 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000176210712 546419919 /nfs/dbraw/zinc/41/99/19/546419919.db2.gz BOTJJGHBTDRFEK-MOPGFXCFSA-N 0 3 372.513 2.476 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000176365305 546436646 /nfs/dbraw/zinc/43/66/46/546436646.db2.gz KOKUNPZIYOJIIC-QZTJIDSGSA-N 0 3 358.486 2.308 10 0 FEAEHN CCOCCOc1cc(C)ccc1CNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000176437997 546446636 /nfs/dbraw/zinc/44/66/36/546446636.db2.gz CKTBHUFHMYNBBE-GOSISDBHSA-N 0 3 361.486 2.400 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000176894233 546503319 /nfs/dbraw/zinc/50/33/19/546503319.db2.gz LQYVRRULJGVUOB-KRWDZBQOSA-N 0 3 359.470 2.357 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000176902778 546505386 /nfs/dbraw/zinc/50/53/86/546505386.db2.gz VPBSDTHZDMDPMK-QGZVFWFLSA-N 0 3 371.485 2.498 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC1CCN(C(=O)CC(C)C)CC1 ZINC000177457567 546622621 /nfs/dbraw/zinc/62/26/21/546622621.db2.gz XFIKBPAPNYCZJD-QGZVFWFLSA-N 0 3 352.523 2.149 10 0 FEAEHN CCN1CCC[C@H]1CN(C)[C@@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000177694643 546668883 /nfs/dbraw/zinc/66/88/83/546668883.db2.gz MROLKELBWLSWBS-KBPBESRZSA-N 0 3 350.438 2.278 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)[C@@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000177699833 546670474 /nfs/dbraw/zinc/67/04/74/546670474.db2.gz HFQDCIWDNFJNGP-UKRRQHHQSA-N 0 3 365.499 2.056 10 0 FEAEHN O=C(c1ccc(F)c(I)c1)N1CCN2CCC[C@@H]2C1 ZINC000178231704 546760998 /nfs/dbraw/zinc/76/09/98/546760998.db2.gz HMAMYVDPCKIZHB-LLVKDONJSA-N 0 3 374.197 2.351 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000179352753 546937596 /nfs/dbraw/zinc/93/75/96/546937596.db2.gz FAHHSTIDWCTRFF-BMGDILEWSA-N 0 3 366.456 2.494 10 0 FEAEHN CN(C)C[C@@H]1CN([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCO1 ZINC000181102211 547251592 /nfs/dbraw/zinc/25/15/92/547251592.db2.gz KCKKXYBZVQEHSB-CZUORRHYSA-N 0 3 372.296 2.361 10 0 FEAEHN Cc1cnn(-c2ccc(C)cc2NC(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000181247168 547279855 /nfs/dbraw/zinc/27/98/55/547279855.db2.gz YKUHJVWKSLZWCY-MRXNPFEDSA-N 0 3 357.458 2.283 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2nnc(/C=C/c3ccco3)s2)CCO1 ZINC000181286414 547285971 /nfs/dbraw/zinc/28/59/71/547285971.db2.gz SASDTSUTCXXAAA-URWSZGRFSA-N 0 3 363.443 2.096 10 0 FEAEHN Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000181305578 547290456 /nfs/dbraw/zinc/29/04/56/547290456.db2.gz JAVBLBXEJGERQM-WMLDXEAASA-N 0 3 356.474 2.241 10 0 FEAEHN Cc1ccc(CCCN2CCN(c3cc(C)nc4ncnn43)CC2)cc1 ZINC000181790378 547381040 /nfs/dbraw/zinc/38/10/40/547381040.db2.gz XVYBMKPDNUGJKN-UHFFFAOYSA-N 0 3 350.470 2.496 10 0 FEAEHN Cc1ccccc1-n1nccc1NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000182303257 547470306 /nfs/dbraw/zinc/47/03/06/547470306.db2.gz AVCLPROAUSRXBK-INIZCTEOSA-N 0 3 357.458 2.149 10 0 FEAEHN CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@H]2COc3ccccc32)CC1 ZINC000183595471 547687100 /nfs/dbraw/zinc/68/71/00/547687100.db2.gz SWQYETIAWBOARU-YOEHRIQHSA-N 0 3 360.454 2.290 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCN([C@@H](C)c3nccs3)CC2)C1 ZINC000184595860 547850950 /nfs/dbraw/zinc/85/09/50/547850950.db2.gz YMNVSCNJZPVJBA-LSDHHAIUSA-N 0 3 351.520 2.016 10 0 FEAEHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000185455113 547988037 /nfs/dbraw/zinc/98/80/37/547988037.db2.gz VSTPJXMPOOJHPS-KGLIPLIRSA-N 0 3 354.445 2.351 10 0 FEAEHN O=C(CCc1ccccc1)N1CCC(C(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000195330688 548625914 /nfs/dbraw/zinc/62/59/14/548625914.db2.gz DDTSIPLXAGCEQO-FQEVSTJZSA-N 0 3 369.509 2.164 10 0 FEAEHN Cc1nc2ccccn2c1-c1nnc2sc(CCN3CCCC3)nn21 ZINC000227144030 548750188 /nfs/dbraw/zinc/75/01/88/548750188.db2.gz XVUFVHXUBUXTHY-UHFFFAOYSA-N 0 3 353.455 2.447 10 0 FEAEHN CCC[C@H](N)C(=O)N1CCN(Cc2csc([C@@H](C)OCC)n2)CC1 ZINC000236825527 548782683 /nfs/dbraw/zinc/78/26/83/548782683.db2.gz KSUDEDRMMOEBNU-HIFRSBDPSA-N 0 3 354.520 2.012 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000245423587 548915017 /nfs/dbraw/zinc/91/50/17/548915017.db2.gz BNJBMLYKYZBHQJ-ZWKOTPCHSA-N 0 3 359.470 2.360 10 0 FEAEHN CC(C)N(C)C(=O)[C@@H](C)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000245472597 548931254 /nfs/dbraw/zinc/93/12/54/548931254.db2.gz PDJHLOTZWOXORG-OAGGEKHMSA-N 0 3 353.532 2.355 10 0 FEAEHN O=C([C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N1CCN2CCC[C@H]2C1 ZINC000245695421 548977318 /nfs/dbraw/zinc/97/73/18/548977318.db2.gz BGZKIXXDDKDGDJ-JSGCOSHPSA-N 0 3 365.836 2.139 10 0 FEAEHN CN(C[C@@H](O)COCc1ccccc1F)[C@H]1CCCN(c2cccnn2)C1 ZINC000246206858 549077807 /nfs/dbraw/zinc/07/78/07/549077807.db2.gz AAFHODWCNZJNAK-ZWKOTPCHSA-N 0 3 374.460 2.094 10 0 FEAEHN C[C@@H]1CN(CCCc2nc(-c3ccccc3)no2)C[C@H]1N1CCOCC1 ZINC000246286219 549097233 /nfs/dbraw/zinc/09/72/33/549097233.db2.gz ARTXQHOJNBCQDH-SJLPKXTDSA-N 0 3 356.470 2.322 10 0 FEAEHN C[C@H](CNC(=O)N1CCN2CCCC[C@H]2C1)N1CCc2sccc2C1 ZINC000246328984 549107657 /nfs/dbraw/zinc/10/76/57/549107657.db2.gz AQZBYDBGMWBQHS-WBVHZDCISA-N 0 3 362.543 2.374 10 0 FEAEHN Cc1cc(Br)ccc1NC(=O)CN1CCN2CCC[C@H]2C1 ZINC000246343396 549110121 /nfs/dbraw/zinc/11/01/21/549110121.db2.gz LZMASUIBRUWFCN-AWEZNQCLSA-N 0 3 352.276 2.476 10 0 FEAEHN CCn1ccnc1CS(=O)(=O)C(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000246449576 549134612 /nfs/dbraw/zinc/13/46/12/549134612.db2.gz MPGLUKFHLJRATP-LXTVHRRPSA-N 0 3 355.504 2.147 10 0 FEAEHN CCn1ccnc1CS(=O)(=O)C(C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000246449537 549135025 /nfs/dbraw/zinc/13/50/25/549135025.db2.gz MPGLUKFHLJRATP-GBJTYRQASA-N 0 3 355.504 2.147 10 0 FEAEHN CN(C)C[C@@H]1CN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CCO1 ZINC000246575893 549165603 /nfs/dbraw/zinc/16/56/03/549165603.db2.gz RUFFLTYEDVGYJP-IFMALSPDSA-N 0 3 370.493 2.356 10 0 FEAEHN CN(C[C@H]1CN(c2ccccc2)C(=O)O1)[C@H]1CCCN(c2cccnn2)C1 ZINC000246576873 549166476 /nfs/dbraw/zinc/16/64/76/549166476.db2.gz FFWWWDJKDNZFIF-ROUUACIJSA-N 0 3 367.453 2.403 10 0 FEAEHN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NC[C@H]2CCCN2CC(C)C)C1 ZINC000246772398 549209057 /nfs/dbraw/zinc/20/90/57/549209057.db2.gz RGHUPQYKSLMACU-AKVMLJAXSA-N 0 3 357.564 2.486 10 0 FEAEHN CCOCCN1CCN(C(=O)NC[C@H](c2ccco2)N(C)C)C[C@@H]1CC ZINC000246900978 549238814 /nfs/dbraw/zinc/23/88/14/549238814.db2.gz AIIKLLFZBCSNKX-DLBZAZTESA-N 0 3 366.506 2.025 10 0 FEAEHN C[C@H](CN1CCOCC1)N(Cc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000247061262 549275058 /nfs/dbraw/zinc/27/50/58/549275058.db2.gz GXKURZWNEGOEIJ-UYAOXDASSA-N 0 3 364.530 2.385 10 0 FEAEHN C(CN1CCO[C@H]2CCCC[C@H]21)OCCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000247152749 549291764 /nfs/dbraw/zinc/29/17/64/549291764.db2.gz UIPWEEZTJSCMBX-JVSBHGNQSA-N 0 3 352.519 2.290 10 0 FEAEHN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000247354394 549323737 /nfs/dbraw/zinc/32/37/37/549323737.db2.gz OFAWGKDJEBUGAM-NZSAHSFTSA-N 0 3 357.498 2.331 10 0 FEAEHN Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)N([C@H](C)C3CC3)C3CC3)C2)n1 ZINC000247769421 549377641 /nfs/dbraw/zinc/37/76/41/549377641.db2.gz ORXZRUNLFQACGO-RHSMWYFYSA-N 0 3 359.518 2.396 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000248642402 549475490 /nfs/dbraw/zinc/47/54/90/549475490.db2.gz DGEHBFXLJCMNST-NVXWUHKLSA-N 0 3 364.559 2.464 10 0 FEAEHN COCc1c(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cnn1-c1ccccc1 ZINC000248643152 549475709 /nfs/dbraw/zinc/47/57/09/549475709.db2.gz YQPMGMXFGRQBKM-CRAIPNDOSA-N 0 3 356.470 2.477 10 0 FEAEHN CC(C)(C)OC(=O)N1CC[C@@](C)(CN2CC[C@@H](N3CCOCC3)C2)C1 ZINC000248671619 549481699 /nfs/dbraw/zinc/48/16/99/549481699.db2.gz UFFQPZZWANSLOD-APWZRJJASA-N 0 3 353.507 2.040 10 0 FEAEHN OC(CN1CCCC[C@H]1c1cn[nH]c1)CN1CCCC[C@H]1c1cn[nH]c1 ZINC000248721834 549491057 /nfs/dbraw/zinc/49/10/57/549491057.db2.gz FVHWKAPCXAYJOB-OALUTQOASA-N 0 3 358.490 2.248 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCN([C@@H](C)c3nccs3)CC2)C1 ZINC000248752605 549495801 /nfs/dbraw/zinc/49/58/01/549495801.db2.gz UFFYMNOVBLMCAW-OWCLPIDISA-N 0 3 365.547 2.260 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C2CCCC2)nn1C ZINC000249134372 549558324 /nfs/dbraw/zinc/55/83/24/549558324.db2.gz DKXUYAPLTIPWES-HOTGVXAUSA-N 0 3 373.501 2.101 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc2scnc2c1 ZINC000249145451 549560852 /nfs/dbraw/zinc/56/08/52/549560852.db2.gz GGFFMXVPVLXLCA-KBPBESRZSA-N 0 3 358.467 2.320 10 0 FEAEHN CC[C@H](C)Oc1ccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1 ZINC000249160824 549563119 /nfs/dbraw/zinc/56/31/19/549563119.db2.gz JFBTXUYHPXDNET-HLLBOEOZSA-N 0 3 359.470 2.498 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(F)c(OC)cc1C ZINC000249264905 549574414 /nfs/dbraw/zinc/57/44/14/549574414.db2.gz ZJNHOYDNNPNYSC-KGLIPLIRSA-N 0 3 363.433 2.166 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(-c2cnco2)c1 ZINC000249267679 549574589 /nfs/dbraw/zinc/57/45/89/549574589.db2.gz ZQLTWYQDRJFAJB-SJORKVTESA-N 0 3 368.437 2.365 10 0 FEAEHN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCN(CC)C1 ZINC000249614868 549612280 /nfs/dbraw/zinc/61/22/80/549612280.db2.gz ZXLPPYSKFUWSCD-FUHWJXTLSA-N 0 3 373.497 2.290 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC000249635587 549613421 /nfs/dbraw/zinc/61/34/21/549613421.db2.gz RYSFDGDXDBKYSX-OALUTQOASA-N 0 3 372.513 2.222 10 0 FEAEHN CC(=O)NC[C@@H]1CCCN(C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000249809074 549630424 /nfs/dbraw/zinc/63/04/24/549630424.db2.gz HDDGHMQUMYGMDF-FUHWJXTLSA-N 0 3 354.878 2.066 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000252443740 549665180 /nfs/dbraw/zinc/66/51/80/549665180.db2.gz NWRGJORTKULULO-HOCLYGCPSA-N 0 3 351.491 2.329 10 0 FEAEHN C/C=C\c1ccc(OC[C@H](O)CN2CCC[C@H](n3cncn3)C2)c(OC)c1 ZINC000255491305 549706550 /nfs/dbraw/zinc/70/65/50/549706550.db2.gz BUUKWRRCEQELCT-LOTMPPQKSA-N 0 3 372.469 2.397 10 0 FEAEHN Cc1c([C@H](C)NC(=O)[C@H](N)C2CCOCC2)cnn1-c1ccc(F)cc1 ZINC000261676172 549741701 /nfs/dbraw/zinc/74/17/01/549741701.db2.gz GQKGYAKQDZVVGG-KPZWWZAWSA-N 0 3 360.433 2.251 10 0 FEAEHN N[C@@H](C(=O)N[C@H]1CCc2c1cccc2Br)C1CCOCC1 ZINC000262031292 549782584 /nfs/dbraw/zinc/78/25/84/549782584.db2.gz PJLAOKGWHGHJNO-LSDHHAIUSA-N 0 3 353.260 2.307 10 0 FEAEHN COC[C@@H](N)C(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000262314360 549809481 /nfs/dbraw/zinc/80/94/81/549809481.db2.gz DFFHINFVLXSYHI-HXUWFJFHSA-N 0 3 355.482 2.121 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(C2(c3cccc(Br)c3)CC2)n1 ZINC000263188895 549884750 /nfs/dbraw/zinc/88/47/50/549884750.db2.gz HPVSWNWLEDRVAN-CYBMUJFWSA-N 0 3 363.259 2.488 10 0 FEAEHN COc1ccccc1Nc1ncccc1-c1nc([C@H]2CNCCN2C)no1 ZINC000263236198 549887957 /nfs/dbraw/zinc/88/79/57/549887957.db2.gz OCDGTJWAJOUNFJ-OAHLLOKOSA-N 0 3 366.425 2.460 10 0 FEAEHN CCCc1ccc(N2C[C@H](c3nc([C@@H]4CNCCN4C)no3)CC2=O)cc1 ZINC000263279437 549891440 /nfs/dbraw/zinc/89/14/40/549891440.db2.gz TZKGQUWDNCYIPP-WBVHZDCISA-N 0 3 369.469 2.119 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2cccc(OCc3cccnc3)c2)n1 ZINC000263303487 549893581 /nfs/dbraw/zinc/89/35/81/549893581.db2.gz XLDYRPGLDWCLGM-KRWDZBQOSA-N 0 3 351.410 2.287 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(CCC(=O)c2ccc3c(c2)CCCC3)n1 ZINC000263319120 549894609 /nfs/dbraw/zinc/89/46/09/549894609.db2.gz ZYCHLUQHUALEJD-QGZVFWFLSA-N 0 3 354.454 2.340 10 0 FEAEHN CN1CCNC[C@H]1c1noc([C@@H]2CCCN2C(=O)Nc2ccccc2)n1 ZINC000263317880 549894928 /nfs/dbraw/zinc/89/49/28/549894928.db2.gz ZSXVYJNEISHEDU-GJZGRUSLSA-N 0 3 356.430 2.015 10 0 FEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000263495653 549905248 /nfs/dbraw/zinc/90/52/48/549905248.db2.gz JPOGPBQSTUIIKB-NVPAJSRCSA-N 0 3 364.486 2.470 10 0 FEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000263495653 549905251 /nfs/dbraw/zinc/90/52/51/549905251.db2.gz JPOGPBQSTUIIKB-NVPAJSRCSA-N 0 3 364.486 2.470 10 0 FEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000263495653 549905254 /nfs/dbraw/zinc/90/52/54/549905254.db2.gz JPOGPBQSTUIIKB-NVPAJSRCSA-N 0 3 364.486 2.470 10 0 FEAEHN CCN1CCC[C@H]1CN(Cc1ccncc1)c1nn2c(nccc2=O)s1 ZINC000301521394 553657801 /nfs/dbraw/zinc/65/78/01/553657801.db2.gz DJLWLEGWBIXRDA-HNNXBMFYSA-N 0 3 370.482 2.037 10 0 FEAEHN Cc1cccc2c(NCCS(=O)(=O)N3CCSCC3)ccnc12 ZINC000301682359 553671130 /nfs/dbraw/zinc/67/11/30/553671130.db2.gz SMFBMBRICQDCIK-UHFFFAOYSA-N 0 3 351.497 2.334 10 0 FEAEHN COc1cccc(-c2noc(N3CCC[C@H]3CN3CCC[C@@H]3CO)n2)c1 ZINC000301717026 553674035 /nfs/dbraw/zinc/67/40/35/553674035.db2.gz KNZROURSOGLCCU-JKSUJKDBSA-N 0 3 358.442 2.171 10 0 FEAEHN CCN1CCC[C@@H](CN(C)C(=O)Cc2cccnc2)[C@@H]1c1cnn(C)c1 ZINC000328616157 553796533 /nfs/dbraw/zinc/79/65/33/553796533.db2.gz BKGRLVLICFRVDT-FXAWDEMLSA-N 0 3 355.486 2.289 10 0 FEAEHN CCN1CC[C@@H](NC(=O)c2csc(I)c2)C1 ZINC000389818020 558609851 /nfs/dbraw/zinc/60/98/51/558609851.db2.gz MMKLXMMRWSGKGD-SECBINFHSA-N 0 3 350.225 2.177 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC000221945066 568035996 /nfs/dbraw/zinc/03/59/96/568035996.db2.gz FQJCUQAMJKIRFG-YESZJQIVSA-N 0 3 356.555 2.150 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NCC(=O)OCc2ccccc2Cl)C1 ZINC000126823720 672029513 /nfs/dbraw/zinc/02/95/13/672029513.db2.gz TZKCQYIPUXDYFQ-CQSZACIVSA-N 0 3 353.850 2.167 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(SC(F)F)nc1 ZINC000135997867 672136923 /nfs/dbraw/zinc/13/69/23/672136923.db2.gz FXGFIXUOVGFWJT-LBPRGKRZSA-N 0 3 374.457 2.427 10 0 FEAEHN C[C@H](NCCNS(=O)(=O)c1cnn(C)c1)c1ccc(C(C)(C)C)cc1 ZINC000182609263 672448938 /nfs/dbraw/zinc/44/89/38/672448938.db2.gz FBMWZSZKIKFWEM-AWEZNQCLSA-N 0 3 364.515 2.347 10 0 FEAEHN CNC(=O)[C@H](NCCOc1ccccc1C(=O)OC(C)(C)C)C(C)C ZINC000185053786 672517324 /nfs/dbraw/zinc/51/73/24/672517324.db2.gz YLLCLNNWXDNMLK-MRXNPFEDSA-N 0 3 350.459 2.381 10 0 FEAEHN CCOC(=O)N1CCC([C@H](C)NC(=O)N[C@@H]2CCCN(CC)C2)CC1 ZINC000187068896 672561619 /nfs/dbraw/zinc/56/16/19/672561619.db2.gz OUYXSJGRFKZFLI-GOEBONIOSA-N 0 3 354.495 2.027 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)CCc2cc(OC)c(OC)c(OC)c2)C1 ZINC000194631928 672764867 /nfs/dbraw/zinc/76/48/67/672764867.db2.gz WJTDDXSDBYZVGJ-OAHLLOKOSA-N 0 3 350.459 2.246 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)C1 ZINC000246611676 672839567 /nfs/dbraw/zinc/83/95/67/672839567.db2.gz RHTPYKGNJFBWKL-WMLDXEAASA-N 0 3 351.516 2.076 10 0 FEAEHN CC(C)(C)OC(=O)NC[C@@H]1CCCN1C[C@@H](O)COCc1ccco1 ZINC000247511150 672850902 /nfs/dbraw/zinc/85/09/02/672850902.db2.gz MMCSODFBOMGOBD-LSDHHAIUSA-N 0 3 354.447 2.146 10 0 FEAEHN CCOC(=O)N1CCC([C@@H](C)NC(=O)N[C@@H]2CCCN(CC)C2)CC1 ZINC000249279718 672868880 /nfs/dbraw/zinc/86/88/80/672868880.db2.gz OUYXSJGRFKZFLI-GDBMZVCRSA-N 0 3 354.495 2.027 10 0 FEAEHN COc1ccc(F)cc1CNC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702766441 673058510 /nfs/dbraw/zinc/05/85/10/673058510.db2.gz VUGBVBQDCYJPPF-HIFRSBDPSA-N 0 3 354.422 2.152 10 0 FEAEHN CC[C@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccc(F)cn1 ZINC000702767438 673058767 /nfs/dbraw/zinc/05/87/67/673058767.db2.gz YJLLUUSAZWIJDJ-INWMFGNUSA-N 0 3 353.438 2.489 10 0 FEAEHN COc1ccc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(F)c1 ZINC000702848068 673060625 /nfs/dbraw/zinc/06/06/25/673060625.db2.gz WEIQZKUCUBPVTP-CJNGLKHVSA-N 0 3 354.422 2.152 10 0 FEAEHN [NH3+]C1CC(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000715110888 673072539 /nfs/dbraw/zinc/07/25/39/673072539.db2.gz VKZJOJZNABYVSZ-UHFFFAOYSA-N 0 3 353.669 2.118 10 0 FEAEHN CCN1CCO[C@@H](CNCc2ccc(F)c(F)c2)[C@@H]1c1cnn(C)c1 ZINC000657621645 678018279 /nfs/dbraw/zinc/01/82/79/678018279.db2.gz XJINKIXBBVUSGN-ROUUACIJSA-N 0 3 350.413 2.250 10 0 FEAEHN CN(C)CCN1c2ccccc2S[C@H](c2ccc(O)cc2)[C@H](O)C1=O ZINC000003599460 539371234 /nfs/dbraw/zinc/37/12/34/539371234.db2.gz QYKYTLTVPBXRNC-ZWKOTPCHSA-N 0 3 358.463 2.495 10 0 FEAEHN Cc1cccc(CN2CCCC[C@@H]2CCn2cc(C(=O)NC3CC3)nn2)n1 ZINC000012100146 539543003 /nfs/dbraw/zinc/54/30/03/539543003.db2.gz BUDGKGPVEKVYOB-GOSISDBHSA-N 0 3 368.485 2.319 10 0 FEAEHN CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1ccc(C)s1)CC2 ZINC000012194186 539548621 /nfs/dbraw/zinc/54/86/21/539548621.db2.gz RZEPSHZBKDMLKO-CYBMUJFWSA-N 0 3 361.515 2.369 10 0 FEAEHN O[C@H](COc1cccc(Br)c1)CN1CCN(CC2CC2)CC1 ZINC000051426390 540433791 /nfs/dbraw/zinc/43/37/91/540433791.db2.gz FWZGPFLPXOHGHU-INIZCTEOSA-N 0 3 369.303 2.216 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCc1ccccc1N1CCOCC1 ZINC000062487653 541149280 /nfs/dbraw/zinc/14/92/80/541149280.db2.gz ZWXZUBSWIJSTFY-GOSISDBHSA-N 0 3 362.518 2.299 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)CNC(=O)NCc1ccc(Cl)cc1 ZINC000066632177 541350784 /nfs/dbraw/zinc/35/07/84/541350784.db2.gz MFIDXYXMVICHOQ-INIZCTEOSA-N 0 3 368.909 2.232 10 0 FEAEHN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(OCCN(C)C)cc2)o1 ZINC000070757326 541741529 /nfs/dbraw/zinc/74/15/29/541741529.db2.gz POKFLXBZYUIDIJ-CQSZACIVSA-N 0 3 359.426 2.344 10 0 FEAEHN OC[C@H](Nc1nc(-c2ccccn2)nc2c1CCNC2)c1ccc(F)cc1 ZINC000072146700 541787833 /nfs/dbraw/zinc/78/78/33/541787833.db2.gz LHPPOQMVDAXUFI-SFHVURJKSA-N 0 3 365.412 2.469 10 0 FEAEHN O[C@H](CNC[C@H](O)[C@@H]1CCc2ccccc2O1)[C@H]1CCc2ccccc2O1 ZINC000006117243 204236995 /nfs/dbraw/zinc/23/69/95/204236995.db2.gz QSCYKSXNGYFRFZ-VVIORFSUSA-N 0 3 369.461 2.085 10 0 in-vitro FEAEHN COc1cc(CN2CCN(C3CCCC3)[C@H](CCO)C2)cc(OC)c1O ZINC000039518859 205045474 /nfs/dbraw/zinc/04/54/74/205045474.db2.gz JQTQMHYQGPAELU-QGZVFWFLSA-N 0 3 364.486 2.221 10 0 FEAEHN CN(c1ncnc(Nc2ccc3c(c2)OCO3)c1N)C1CCN(C)CC1 ZINC000040685114 205076215 /nfs/dbraw/zinc/07/62/15/205076215.db2.gz XSNIVHDKJQMZIM-UHFFFAOYSA-N 0 3 356.430 2.062 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000073722835 541991414 /nfs/dbraw/zinc/99/14/14/541991414.db2.gz IPEZAMSDBUPUHU-WMZOPIPTSA-N 0 3 360.502 2.410 10 0 FEAEHN Cc1nccn1-c1cncc(N2CC[C@H](OCCN3CCCCC3)C2)n1 ZINC000092923544 542896447 /nfs/dbraw/zinc/89/64/47/542896447.db2.gz FVOMJDGNBADYAZ-KRWDZBQOSA-N 0 3 356.474 2.052 10 0 FEAEHN CC(C(=O)N[C@H](C)c1ccccc1)S(=O)(=O)Cc1noc(C2CC2)n1 ZINC000098151664 543024193 /nfs/dbraw/zinc/02/41/93/543024193.db2.gz IAKHGPOJOYZTPN-VXGBXAGGSA-N 0 3 363.439 2.128 10 0 FEAEHN Cc1ccc(OC[C@@H](O)CN2CCC(N(C)c3cccnn3)CC2)cc1 ZINC000106084002 543192169 /nfs/dbraw/zinc/19/21/69/543192169.db2.gz MOXHCKVJSJMVAU-SFHVURJKSA-N 0 3 356.470 2.126 10 0 FEAEHN CC[C@H]1CCCCN1C(=O)CN(C)C1CCN(CCn2cccn2)CC1 ZINC000106129949 543206039 /nfs/dbraw/zinc/20/60/39/543206039.db2.gz SIABHMWWFFNWQS-SFHVURJKSA-N 0 3 361.534 2.070 10 0 FEAEHN CCOCCN1CCN(C[C@H](O)COc2cc(C)ccc2C)C[C@H]1CC ZINC000106116573 543202545 /nfs/dbraw/zinc/20/25/45/543202545.db2.gz TUOWRNVDGWEGDL-UXHICEINSA-N 0 3 364.530 2.476 10 0 FEAEHN CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000106221170 543220605 /nfs/dbraw/zinc/22/06/05/543220605.db2.gz VZOLOIUFFUEMSJ-MOPGFXCFSA-N 0 3 372.469 2.227 10 0 FEAEHN CN(C)C[C@H]1CN(c2ncc(C(=O)N3CCCCC3)cc2Cl)CCO1 ZINC000108952003 543309146 /nfs/dbraw/zinc/30/91/46/543309146.db2.gz ZQPNEDIUPZJJBI-HNNXBMFYSA-N 0 3 366.893 2.128 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)NCc1ccc(F)cc1)CC2 ZINC000112552086 543452130 /nfs/dbraw/zinc/45/21/30/543452130.db2.gz IHHWFYBOBHTGHJ-BBRMVZONSA-N 0 3 359.449 2.150 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000113231791 543478547 /nfs/dbraw/zinc/47/85/47/543478547.db2.gz QDVKKGVIHFMXMS-OAGGEKHMSA-N 0 3 361.511 2.438 10 0 FEAEHN CC(=O)N[C@H]1CCCN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000113625932 543493613 /nfs/dbraw/zinc/49/36/13/543493613.db2.gz ATHUCKNJPIVSIN-QAPCUYQASA-N 0 3 360.502 2.426 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)c3ccnc(Cl)c3)CC2)nc1 ZINC000114415565 543514596 /nfs/dbraw/zinc/51/45/96/543514596.db2.gz WTZKOGYBNBMSLW-UHFFFAOYSA-N 0 3 359.861 2.154 10 0 FEAEHN CN(C)C[C@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CCO1 ZINC000116900229 543618863 /nfs/dbraw/zinc/61/88/63/543618863.db2.gz AMEAXIKXMURRMF-NSHDSACASA-N 0 3 367.298 2.086 10 0 FEAEHN CNC(=O)C(C)(C)CNC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000125607919 543891425 /nfs/dbraw/zinc/89/14/25/543891425.db2.gz FDEGDFPHDBTUCY-QGZVFWFLSA-N 0 3 360.502 2.113 10 0 FEAEHN CN(C)C[C@@H](NC(=O)N[C@@H]1CCN(c2ccccn2)C1)c1ccccc1 ZINC000127147713 543975588 /nfs/dbraw/zinc/97/55/88/543975588.db2.gz HIFINQPZQPNCNX-QZTJIDSGSA-N 0 3 353.470 2.262 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1cccn(CC(F)(F)F)c1=O ZINC000127155922 543976185 /nfs/dbraw/zinc/97/61/85/543976185.db2.gz BCLBNSLNAMCFBH-GFCCVEGCSA-N 0 3 360.380 2.359 10 0 FEAEHN COc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)cc1F ZINC000129505535 544115703 /nfs/dbraw/zinc/11/57/03/544115703.db2.gz DGSZZBVCCVGFRP-CQSZACIVSA-N 0 3 351.422 2.009 10 0 FEAEHN C[C@@H]1CC[C@H](C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)O1 ZINC000132864723 544246212 /nfs/dbraw/zinc/24/62/12/544246212.db2.gz FAULDJBVGSHITN-UYAOXDASSA-N 0 3 359.514 2.268 10 0 FEAEHN Cc1cc(C[C@H](C)NC(=O)N2CC[C@H](N(C)C)C2)n(-c2ccccc2)n1 ZINC000132478228 544232452 /nfs/dbraw/zinc/23/24/52/544232452.db2.gz FXMQMCANPMANQX-YJBOKZPZSA-N 0 3 355.486 2.457 10 0 FEAEHN CCCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)C1 ZINC000132516650 544234084 /nfs/dbraw/zinc/23/40/84/544234084.db2.gz KTUPFIKHPFKSLE-GVDBMIGSSA-N 0 3 352.523 2.053 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCO1 ZINC000135015962 544331184 /nfs/dbraw/zinc/33/11/84/544331184.db2.gz NGMXTEGHLPBHSK-LJQANCHMSA-N 0 3 367.449 2.342 10 0 FEAEHN Cc1cc(C[C@@H](C)NCc2c(C(C)C)nn(C)c2N2CCOCC2)[nH]n1 ZINC000136760423 544378743 /nfs/dbraw/zinc/37/87/43/544378743.db2.gz WZEPZQYOMXKEIK-CQSZACIVSA-N 0 3 360.506 2.132 10 0 FEAEHN Cc1cc(C[C@@H](C)NCc2c(C(C)C)nn(C)c2N2CCOCC2)n[nH]1 ZINC000136760423 544378745 /nfs/dbraw/zinc/37/87/45/544378745.db2.gz WZEPZQYOMXKEIK-CQSZACIVSA-N 0 3 360.506 2.132 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000152176173 544622281 /nfs/dbraw/zinc/62/22/81/544622281.db2.gz RMOBNOBHODVVJG-GFCCVEGCSA-N 0 3 374.894 2.317 10 0 FEAEHN C[C@H](CN1CCCCC1)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000152833316 544701018 /nfs/dbraw/zinc/70/10/18/544701018.db2.gz DXXBSDPVIWWPAU-DKSSEZFCSA-N 0 3 361.461 2.336 10 0 FEAEHN C[C@H](NC[C@H](O)COCc1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000153766454 544820478 /nfs/dbraw/zinc/82/04/78/544820478.db2.gz VJWWMBPBMGEKPC-ZFWWWQNUSA-N 0 3 369.508 2.380 10 0 FEAEHN CSc1ccccc1NC(=O)CCN1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247534553 549351441 /nfs/dbraw/zinc/35/14/41/549351441.db2.gz CHRVJMPMPMTOBD-CABCVRRESA-N 0 3 351.516 2.124 10 0 FEAEHN CCO[C@H]1C[C@H](N(C)C(=O)NC2CCN(CCOC)CC2)C12CCCC2 ZINC000154168416 544872803 /nfs/dbraw/zinc/87/28/03/544872803.db2.gz CAPZKJULHFDPNG-ROUUACIJSA-N 0 3 367.534 2.476 10 0 FEAEHN Cc1nc(C)n(C[C@H]2CCCN(C[C@H](O)COc3cccc(C)c3)C2)n1 ZINC000155186407 544998980 /nfs/dbraw/zinc/99/89/80/544998980.db2.gz AXHWVLMQGUBKGI-OALUTQOASA-N 0 3 358.486 2.355 10 0 FEAEHN COc1ccccc1COC[C@@H](O)CN1CCC[C@@H](n2cc(C)cn2)C1 ZINC000155238124 545004655 /nfs/dbraw/zinc/00/46/55/545004655.db2.gz HSSBAODMWZRXRA-MOPGFXCFSA-N 0 3 359.470 2.415 10 0 FEAEHN Cc1cc(Br)cc(C(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000184727506 327880934 /nfs/dbraw/zinc/88/09/34/327880934.db2.gz OBPJOOLACHQTED-HNNXBMFYSA-N 0 3 355.276 2.334 10 0 FEAEHN Cc1ccc(SC[C@H](C)NC(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000185944618 327940420 /nfs/dbraw/zinc/94/04/20/327940420.db2.gz VTSDKDHMIHFAJL-JKSUJKDBSA-N 0 3 351.516 2.448 10 0 FEAEHN CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H](N(C)C)C2)c(Cl)c1 ZINC000187385372 328021331 /nfs/dbraw/zinc/02/13/31/328021331.db2.gz DXJHAZBBAZIRHV-LBPRGKRZSA-N 0 3 353.850 2.228 10 0 FEAEHN CCc1c(C(=O)N2CCN3CCC[C@H]3C2)cnn1-c1ccccc1OC ZINC000187629106 328036619 /nfs/dbraw/zinc/03/66/19/328036619.db2.gz PBVOGDBZLJHHSD-HNNXBMFYSA-N 0 3 354.454 2.364 10 0 FEAEHN COC(=O)[C@](C)(CNC(=O)N[C@H](CC(C)C)CN(C)C)c1ccccc1 ZINC000189729610 328164741 /nfs/dbraw/zinc/16/47/41/328164741.db2.gz ZVCWJEBOKIGAHH-YLJYHZDGSA-N 0 3 363.502 2.393 10 0 FEAEHN COC(=O)[C@H](CC(C)C)NC(=O)CN[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000189898919 328174594 /nfs/dbraw/zinc/17/45/94/328174594.db2.gz WPVSGCBVUXGQCY-YJBOKZPZSA-N 0 3 372.469 2.227 10 0 FEAEHN CCc1nc2cc(NC(=O)C(=O)N3C[C@@H]4CCCN4C[C@@H]3CC)ccc2o1 ZINC000190340114 328201186 /nfs/dbraw/zinc/20/11/86/328201186.db2.gz LYDZOQXGNZQASU-GJZGRUSLSA-N 0 3 370.453 2.414 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C2CCCC2)nn1C ZINC000190350890 328202142 /nfs/dbraw/zinc/20/21/42/328202142.db2.gz DKXUYAPLTIPWES-JKSUJKDBSA-N 0 3 373.501 2.101 10 0 FEAEHN CCC(=O)c1cccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2CC)c1 ZINC000190359673 328202629 /nfs/dbraw/zinc/20/26/29/328202629.db2.gz BGTPDUPFVIZGIE-IAGOWNOFSA-N 0 3 357.454 2.303 10 0 FEAEHN C[C@H](Oc1cccnc1)C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190580553 328217661 /nfs/dbraw/zinc/21/76/61/328217661.db2.gz ZOTNQGKOFOWPCV-FUHWJXTLSA-N 0 3 354.454 2.224 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc(NC=O)cc2)C1 ZINC000190604729 328219010 /nfs/dbraw/zinc/21/90/10/328219010.db2.gz HFGPKWLDTVLZJS-KRWDZBQOSA-N 0 3 352.438 2.244 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NCc2cccc(CO)c2)C1 ZINC000190708069 328226340 /nfs/dbraw/zinc/22/63/40/328226340.db2.gz HGBFQMWJJAPTQD-HXUWFJFHSA-N 0 3 368.481 2.237 10 0 FEAEHN COC1(CNC(=O)N2CC[C@H](CN(C)Cc3scnc3C)C2)CCC1 ZINC000190732921 328228838 /nfs/dbraw/zinc/22/88/38/328228838.db2.gz SCSBMWQGHQSKHM-OAHLLOKOSA-N 0 3 366.531 2.484 10 0 FEAEHN O[C@@H](CNCc1nccn1-c1ccccc1)CN1CCc2ccccc2C1 ZINC000190751660 328230147 /nfs/dbraw/zinc/23/01/47/328230147.db2.gz YJAVCDLJNBFROW-NRFANRHFSA-N 0 3 362.477 2.381 10 0 FEAEHN CCC1=C(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)CCCO1 ZINC000191810163 328283123 /nfs/dbraw/zinc/28/31/23/328283123.db2.gz HZXSNVDHZAYIRO-UHFFFAOYSA-N 0 3 358.486 2.266 10 0 FEAEHN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000192007229 328293645 /nfs/dbraw/zinc/29/36/45/328293645.db2.gz JNZLOQWAAJSLTA-VIFPVBQESA-N 0 3 360.241 2.103 10 0 FEAEHN O=S(=O)(N[C@@H]1CNCC[C@@H]1c1ccc(F)c(F)c1)N1CCCCCC1 ZINC000193439355 328375829 /nfs/dbraw/zinc/37/58/29/328375829.db2.gz AHXFKCOBLRYFLX-RHSMWYFYSA-N 0 3 373.469 2.121 10 0 FEAEHN CN(C(=O)c1nc2cccnc2s1)C1CCN(CCn2cccn2)CC1 ZINC000193935999 328403091 /nfs/dbraw/zinc/40/30/91/328403091.db2.gz WQSPRWAVTFPDAV-UHFFFAOYSA-N 0 3 370.482 2.124 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)NCc1cc(OC)c(OC)cc1Br ZINC000236982836 328500303 /nfs/dbraw/zinc/50/03/03/328500303.db2.gz AUKBNEDBZKZHFT-YMTOWFKASA-N 0 3 359.264 2.456 10 0 FEAEHN Cc1ccc(C(=O)NCCNC(=O)N[C@@H](CC(C)C)CN(C)C)cc1F ZINC000079134569 325077528 /nfs/dbraw/zinc/07/75/28/325077528.db2.gz VNSHPNUKEYSXRE-INIZCTEOSA-N 0 3 366.481 2.139 10 0 FEAEHN CC(C)CC(=O)N[C@H](C(=O)NC1CCN(CCOC(C)C)CC1)C(C)C ZINC000081997779 325206943 /nfs/dbraw/zinc/20/69/43/325206943.db2.gz PVIDJHMRWJDABN-IBGZPJMESA-N 0 3 369.550 2.179 10 0 FEAEHN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCCN1CCc2ccccc2C1 ZINC000083700941 325222892 /nfs/dbraw/zinc/22/28/92/325222892.db2.gz IOPDWKJVTLJUQT-GOSISDBHSA-N 0 3 368.485 2.169 10 0 FEAEHN Cc1cccc(OC[C@@H](O)CNC(=O)N[C@H](CC(C)C)CN(C)C)c1 ZINC000098118104 325467588 /nfs/dbraw/zinc/46/75/88/325467588.db2.gz CQYWFPWHEUGSAK-SJORKVTESA-N 0 3 351.491 2.010 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@H](C)C(=O)Nc1cccc(SC)c1)CC2 ZINC000112551137 325789807 /nfs/dbraw/zinc/78/98/07/325789807.db2.gz AFUWFWBAVLZRHN-TZMCWYRMSA-N 0 3 359.499 2.494 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@H](C)C(=O)N(C)Cc1ccccc1C)CC2 ZINC000112551176 325790436 /nfs/dbraw/zinc/79/04/36/325790436.db2.gz YERIHSLPGUXICR-WBVHZDCISA-N 0 3 355.486 2.100 10 0 FEAEHN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N(CCN(C)C)Cc1ccccn1 ZINC000112906833 325811588 /nfs/dbraw/zinc/81/15/88/325811588.db2.gz GBPWJMZDKKJYDU-MRXNPFEDSA-N 0 3 369.469 2.182 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CCO1 ZINC000116787319 326035377 /nfs/dbraw/zinc/03/53/77/326035377.db2.gz XBCSHQLWVSRYPM-BZUAXINKSA-N 0 3 367.287 2.342 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2cc3c(cccc3Br)[nH]2)CCO1 ZINC000116795357 326036491 /nfs/dbraw/zinc/03/64/91/326036491.db2.gz HOEOMVQSFSWACK-NSHDSACASA-N 0 3 366.259 2.333 10 0 FEAEHN CC[C@@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CCN1CCOC ZINC000117305080 326055761 /nfs/dbraw/zinc/05/57/61/326055761.db2.gz IEXOQIQJLRBNTG-MRXNPFEDSA-N 0 3 360.433 2.399 10 0 FEAEHN CC[C@H](C)NC(=O)c1ccc(NC(=O)N2CCO[C@@H](CN(C)C)C2)cc1 ZINC000118810681 326104296 /nfs/dbraw/zinc/10/42/96/326104296.db2.gz SLCLGKBWCRRLKN-YOEHRIQHSA-N 0 3 362.474 2.009 10 0 FEAEHN COc1cccc([C@H](C)C(=O)NC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000119735103 326192899 /nfs/dbraw/zinc/19/28/99/326192899.db2.gz RAAZRMIVYCVFAV-JXFKEZNVSA-N 0 3 368.477 2.334 10 0 FEAEHN CC(=O)[C@@H](C)CCCCC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000119771188 326196634 /nfs/dbraw/zinc/19/66/34/326196634.db2.gz UEVPKEGMJUZUIX-JXFKEZNVSA-N 0 3 360.498 2.307 10 0 FEAEHN COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CCC[C@H]1C[NH3+] ZINC000124518150 326455397 /nfs/dbraw/zinc/45/53/97/326455397.db2.gz NOHKRGRIFWNYCL-JQWIXIFHSA-N 0 3 368.480 2.094 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)N[C@H](C1CCCC1)C(F)(F)F ZINC000127987625 326516045 /nfs/dbraw/zinc/51/60/45/326516045.db2.gz KWZSJAVBLUDUTE-UONOGXRCSA-N 0 3 351.413 2.254 10 0 FEAEHN Cc1ccccc1-n1nccc1NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000128243711 326520362 /nfs/dbraw/zinc/52/03/62/326520362.db2.gz HOZGYGHTKFBMFY-MRXNPFEDSA-N 0 3 371.485 2.212 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCN(C3CCCCC3)CC1)CC2 ZINC000141532363 326665061 /nfs/dbraw/zinc/66/50/61/326665061.db2.gz OQYVVYHFYCJTOH-MRXNPFEDSA-N 0 3 374.533 2.376 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152298167 326703734 /nfs/dbraw/zinc/70/37/34/326703734.db2.gz XXDCQDJXXYYJMA-DLBZAZTESA-N 0 3 362.522 2.063 10 0 FEAEHN CN(c1cccnn1)C1CCN(C[C@@H](O)COCc2cccs2)CC1 ZINC000155053411 326776307 /nfs/dbraw/zinc/77/63/07/326776307.db2.gz PVIYMBNULZZVNK-MRXNPFEDSA-N 0 3 362.499 2.016 10 0 FEAEHN Cc1ccc(N2CCCN(C(=O)c3cccc(CN(C)C)c3)CC2)nn1 ZINC000156267148 326824457 /nfs/dbraw/zinc/82/44/57/326824457.db2.gz NATFFBWTRZVOMI-UHFFFAOYSA-N 0 3 353.470 2.199 10 0 FEAEHN CCOc1ccccc1[C@H](CC(=O)N[C@H]1CCCN(CC)C1)NC(C)=O ZINC000170877227 327104570 /nfs/dbraw/zinc/10/45/70/327104570.db2.gz AQCKBROGQCIXOC-WMZOPIPTSA-N 0 3 361.486 2.253 10 0 FEAEHN Cc1nn(C)c2ncc(CN(C)[C@H]3CCCN(c4cccnn4)C3)cc12 ZINC000170940702 327108685 /nfs/dbraw/zinc/10/86/85/327108685.db2.gz INYXPTIOUUORLS-INIZCTEOSA-N 0 3 351.458 2.168 10 0 FEAEHN O=C(c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)N1CCN2CCC[C@H]2C1 ZINC000171279097 327129398 /nfs/dbraw/zinc/12/93/98/327129398.db2.gz GYTWHHLNGJGOCT-INIZCTEOSA-N 0 3 354.454 2.365 10 0 FEAEHN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000171445943 327139911 /nfs/dbraw/zinc/13/99/11/327139911.db2.gz LKVBNWZEBDPRJX-JKSUJKDBSA-N 0 3 351.491 2.330 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)N[C@@H](c1nccs1)c1ccccc1 ZINC000171445805 327140150 /nfs/dbraw/zinc/14/01/50/327140150.db2.gz UVXXRSZSIKJVEY-DLBZAZTESA-N 0 3 374.510 2.379 10 0 FEAEHN Cc1nc(C[C@H]2CCCN(C[C@H](O)COCc3ccccc3F)C2)no1 ZINC000171503698 327143007 /nfs/dbraw/zinc/14/30/07/327143007.db2.gz LHXWDIZLNFXIRN-WBVHZDCISA-N 0 3 363.433 2.349 10 0 FEAEHN CN1C(=O)CC[C@H](C(=O)N2CC[C@H](N3CCCC3)C2)[C@H]1c1ccccc1 ZINC000171803265 327162491 /nfs/dbraw/zinc/16/24/91/327162491.db2.gz CBDOUHDXGDSDQI-CMKODMSKSA-N 0 3 355.482 2.293 10 0 FEAEHN CC(C)(C)OC(=O)NCc1nc(C(=O)N2CCN3CCC[C@@H]3C2)cs1 ZINC000171804637 327162767 /nfs/dbraw/zinc/16/27/67/327162767.db2.gz HXSAWRWRDYJRHR-GFCCVEGCSA-N 0 3 366.487 2.088 10 0 FEAEHN O=C(CCCN1CCN(c2ccccc2)CC1)N1CCN2CCCC[C@H]2C1 ZINC000171857370 327165964 /nfs/dbraw/zinc/16/59/64/327165964.db2.gz CHSXJTMPNDBYGR-NRFANRHFSA-N 0 3 370.541 2.286 10 0 FEAEHN O=C(Nc1cc(Cl)ccc1N1CCOCC1)N1CCN2CCC[C@@H]2C1 ZINC000171886706 327167567 /nfs/dbraw/zinc/16/75/67/327167567.db2.gz BNIJBTMKVHHZJI-OAHLLOKOSA-N 0 3 364.877 2.489 10 0 FEAEHN CN(C)[C@H](CNC(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1Cl ZINC000171898179 327168264 /nfs/dbraw/zinc/16/82/64/327168264.db2.gz SPHJJWGAFZGQEA-RHSMWYFYSA-N 0 3 350.894 2.432 10 0 FEAEHN Cc1ccc(C(=O)N2CCC(NC(=O)N3CCN4CCC[C@H]4C3)CC2)cc1 ZINC000171906867 327169529 /nfs/dbraw/zinc/16/95/29/327169529.db2.gz HEIDSPPJDQPECR-IBGZPJMESA-N 0 3 370.497 2.089 10 0 FEAEHN CC(C)S(=O)(=O)Cc1cccc(NC(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000171921610 327170375 /nfs/dbraw/zinc/17/03/75/327170375.db2.gz WVGLIGCGVNIMED-QGZVFWFLSA-N 0 3 365.499 2.322 10 0 FEAEHN CC(C)(C)OC(=O)NC(C)(C)c1noc(CN2CCN3CCC[C@@H]3C2)n1 ZINC000172395001 327199475 /nfs/dbraw/zinc/19/94/75/327199475.db2.gz QPLJEWRBGHBFJK-CYBMUJFWSA-N 0 3 365.478 2.109 10 0 FEAEHN C[C@H]1CC[C@H](CCC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)O1 ZINC000173577283 327268155 /nfs/dbraw/zinc/26/81/55/327268155.db2.gz OWDTWJVIDCFQQX-FUHWJXTLSA-N 0 3 360.502 2.140 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000174583568 327336233 /nfs/dbraw/zinc/33/62/33/327336233.db2.gz CLUNAGKCKXNDAF-CQSZACIVSA-N 0 3 373.844 2.158 10 0 FEAEHN O=C(NCc1ccccc1)c1cc(NC[C@@H](O)CN2CCCCC2)ccn1 ZINC000174685132 327343542 /nfs/dbraw/zinc/34/35/42/327343542.db2.gz CHCHEMAWLYWMDQ-LJQANCHMSA-N 0 3 368.481 2.270 10 0 FEAEHN Cc1ccc([C@H](CN[C@@H](C)C(=O)N(C)C(C)C)N2CCOCC2)s1 ZINC000175198148 327379557 /nfs/dbraw/zinc/37/95/57/327379557.db2.gz YWCQMHBDYCDFHW-HOTGVXAUSA-N 0 3 353.532 2.275 10 0 FEAEHN COc1ccccc1C[C@H](NC(=O)N1CCO[C@H](CN(C)C)C1)C(C)C ZINC000176175030 327438795 /nfs/dbraw/zinc/43/87/95/327438795.db2.gz KTUJEUNVIYYAGL-MSOLQXFVSA-N 0 3 363.502 2.234 10 0 FEAEHN CC[C@@H](CNC(=O)NC[C@H](O)CN1CCCCC1)Oc1ccccc1C ZINC000176905340 327483713 /nfs/dbraw/zinc/48/37/13/327483713.db2.gz AQVMPICWGDUCJU-ROUUACIJSA-N 0 3 363.502 2.298 10 0 FEAEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)Nc1ccn(C)n1 ZINC000177061373 327494529 /nfs/dbraw/zinc/49/45/29/327494529.db2.gz MBYDLVVKWXASIL-SFHVURJKSA-N 0 3 371.485 2.329 10 0 FEAEHN C[C@H]1CN(S(=O)(=O)c2ccc(Br)s2)C[C@H]1N(C)C ZINC000251907318 328791586 /nfs/dbraw/zinc/79/15/86/328791586.db2.gz WXNFIJPHYBWUAO-DTWKUNHWSA-N 0 3 353.307 2.081 10 0 FEAEHN CCCOc1ccc(CNC(=O)C2(N)CCOCC2)c(OC(F)F)c1 ZINC000261765835 328818101 /nfs/dbraw/zinc/81/81/01/328818101.db2.gz GGHSIRRHTOPODJ-UHFFFAOYSA-N 0 3 358.385 2.201 10 0 FEAEHN COc1cc(CNC(=O)C2(N)CCOCC2)ccc1OCc1ccccc1 ZINC000261922573 328829572 /nfs/dbraw/zinc/82/95/72/328829572.db2.gz VGXWWPFAYXRVEO-UHFFFAOYSA-N 0 3 370.449 2.398 10 0 FEAEHN NC1(C(=O)Nc2nc3cc4c(cc3s2)OC(F)(F)O4)CCOCC1 ZINC000261953880 328831460 /nfs/dbraw/zinc/83/14/60/328831460.db2.gz ZNBOQBPZPVINQI-UHFFFAOYSA-N 0 3 357.338 2.064 10 0 FEAEHN Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc([C@H]2CNCCN2C)no1 ZINC000263161337 328921178 /nfs/dbraw/zinc/92/11/78/328921178.db2.gz DVCMIMOJABASJE-OAHLLOKOSA-N 0 3 358.833 2.460 10 0 FEAEHN CN1CCNC[C@H]1c1noc(COc2ccc(Oc3ccccn3)cc2)n1 ZINC000263217404 328925905 /nfs/dbraw/zinc/92/59/05/328925905.db2.gz LCCSDHSZSKMLOT-INIZCTEOSA-N 0 3 367.409 2.412 10 0 FEAEHN CC[C@@H](C)n1ncc2c1nc(C)cc2-c1nc([C@H]2CNCCN2C)no1 ZINC000263254301 328928549 /nfs/dbraw/zinc/92/85/49/328928549.db2.gz QHLPXGPGMHRJQN-IUODEOHRSA-N 0 3 355.446 2.337 10 0 FEAEHN C[C@H](NC(=O)[C@H](C)N1CCO[C@H](CN(C)C)C1)c1ccc(Cl)cc1 ZINC000155341028 545513953 /nfs/dbraw/zinc/51/39/53/545513953.db2.gz IHDCBZHEPAAQLP-GRDNDAEWSA-N 0 3 353.894 2.168 10 0 FEAEHN CC(C)(C)OC[C@@H](O)CN1CCC(C(=O)NCCc2cccs2)CC1 ZINC000157949079 545803235 /nfs/dbraw/zinc/80/32/35/545803235.db2.gz RLCXWEUAAOUTOE-INIZCTEOSA-N 0 3 368.543 2.295 10 0 FEAEHN Cc1nc(COc2ccccc2C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)no1 ZINC000159029987 545916143 /nfs/dbraw/zinc/91/61/43/545916143.db2.gz HGNLBXSDLROYSL-BBRMVZONSA-N 0 3 358.442 2.416 10 0 FEAEHN CCN1CCO[C@H](CNCc2ccc(I)cc2)C1 ZINC000165966234 546154828 /nfs/dbraw/zinc/15/48/28/546154828.db2.gz NGGYPFCQADUQNM-CQSZACIVSA-N 0 3 360.239 2.102 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NCc2nccn2CCc2ccccc2)C1 ZINC000175707458 546337053 /nfs/dbraw/zinc/33/70/53/546337053.db2.gz HZXICFYMDFDJTM-GOSISDBHSA-N 0 3 355.486 2.409 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccccc1CN1C(=O)CCC1=O ZINC000176327009 546432395 /nfs/dbraw/zinc/43/23/95/546432395.db2.gz DJMAHTKUGAFEBO-INIZCTEOSA-N 0 3 372.469 2.284 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1 ZINC000176352836 546435662 /nfs/dbraw/zinc/43/56/62/546435662.db2.gz IJXYTWIKZIMNMK-OAHLLOKOSA-N 0 3 368.503 2.315 10 0 FEAEHN O=C(Nc1ccc(CCC(F)(F)F)cc1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000176417133 546442945 /nfs/dbraw/zinc/44/29/45/546442945.db2.gz OEKHGQXBTDDPLE-OAHLLOKOSA-N 0 3 369.387 2.427 10 0 FEAEHN O=C(Nc1ccc(CCC(F)(F)F)cc1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000176417152 546443139 /nfs/dbraw/zinc/44/31/39/546443139.db2.gz OEKHGQXBTDDPLE-HNNXBMFYSA-N 0 3 369.387 2.427 10 0 FEAEHN O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)N1CCN2CCC[C@@H]2C1 ZINC000176478155 546451598 /nfs/dbraw/zinc/45/15/98/546451598.db2.gz XPSNMTBSZNSXLC-ZIAGYGMSSA-N 0 3 350.413 2.033 10 0 FEAEHN COc1ccc(OC(F)F)c(CNC(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000176537341 546458415 /nfs/dbraw/zinc/45/84/15/546458415.db2.gz VJTUKNQIKLWZCB-ZDUSSCGKSA-N 0 3 355.385 2.286 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccccc1OC(F)F ZINC000176898388 546502866 /nfs/dbraw/zinc/50/28/66/546502866.db2.gz JYLQGVCTUCLLRY-LBPRGKRZSA-N 0 3 355.385 2.169 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000176904345 546504883 /nfs/dbraw/zinc/50/48/83/546504883.db2.gz XSMNQWRCVACXJX-INIZCTEOSA-N 0 3 374.485 2.284 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(CCSC)cc1 ZINC000176904521 546505395 /nfs/dbraw/zinc/50/53/95/546505395.db2.gz ODPCKSPQAAWVEU-QGZVFWFLSA-N 0 3 363.527 2.473 10 0 FEAEHN C[C@@H](O)CN1CCN(Cc2cccc(SC(=O)N(C)C)c2)C[C@@H]1C ZINC000176916901 546508377 /nfs/dbraw/zinc/50/83/77/546508377.db2.gz LDCCWBLWYJWKFB-LSDHHAIUSA-N 0 3 351.516 2.347 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000177013812 546523543 /nfs/dbraw/zinc/52/35/43/546523543.db2.gz YIGYZCSFAIQAON-ZDUSSCGKSA-N 0 3 373.906 2.268 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)CCCNC(=O)c1ccc(F)cc1F ZINC000177039792 546528907 /nfs/dbraw/zinc/52/89/07/546528907.db2.gz VDCNKNUZFDLURQ-HNNXBMFYSA-N 0 3 367.440 2.418 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000177035046 546529414 /nfs/dbraw/zinc/52/94/14/546529414.db2.gz COPJWTYGCGSJBF-CZUORRHYSA-N 0 3 351.878 2.401 10 0 FEAEHN Cc1coc(-c2ccc(C)c(NC(=O)C(=O)N3CCN4CCC[C@H]4C3)c2)n1 ZINC000177248487 546579952 /nfs/dbraw/zinc/57/99/52/546579952.db2.gz GASSMZRCIHLHJR-INIZCTEOSA-N 0 3 368.437 2.204 10 0 FEAEHN C[C@H]1CCN(C(=O)N[C@@H]2CCCn3ncnc32)CCN1Cc1ccccc1 ZINC000177348802 546599489 /nfs/dbraw/zinc/59/94/89/546599489.db2.gz SVYJIVYWIUIHBL-FUHWJXTLSA-N 0 3 368.485 2.419 10 0 FEAEHN O=C(c1c(F)cccc1I)N1CCN2CCC[C@@H]2C1 ZINC000177549496 546642206 /nfs/dbraw/zinc/64/22/06/546642206.db2.gz ZRPCFMQYIGTAKR-SNVBAGLBSA-N 0 3 374.197 2.351 10 0 FEAEHN CCN1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000177706152 546671663 /nfs/dbraw/zinc/67/16/63/546671663.db2.gz FDBGBTMNGMDQQB-PXNSSMCTSA-N 0 3 374.529 2.266 10 0 FEAEHN O=C1CCCN1C[C@H](O)CNC1(c2ccc(Br)cc2)CCC1 ZINC000178515815 546806339 /nfs/dbraw/zinc/80/63/39/546806339.db2.gz HENJSCAGOCXHED-OAHLLOKOSA-N 0 3 367.287 2.401 10 0 FEAEHN O=C(Cc1ccccc1I)N1CCN2CCC[C@H]2C1 ZINC000178920046 546873848 /nfs/dbraw/zinc/87/38/48/546873848.db2.gz RLVZTQFEFQMLRE-ZDUSSCGKSA-N 0 3 370.234 2.140 10 0 FEAEHN COCc1cccc(CN2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)c1 ZINC000179213118 546915799 /nfs/dbraw/zinc/91/57/99/546915799.db2.gz WJBLKUXOMNUCNP-OAQYLSRUSA-N 0 3 361.530 2.060 10 0 FEAEHN CCN1CCC(n2nccc2NC(=O)C(=O)N[C@H](C)c2ccc(C)o2)CC1 ZINC000179805573 547014896 /nfs/dbraw/zinc/01/48/96/547014896.db2.gz GFYMUCDTRSKQOT-CQSZACIVSA-N 0 3 373.457 2.257 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cn(-c2ccccc2)nc1C ZINC000180329271 547085574 /nfs/dbraw/zinc/08/55/74/547085574.db2.gz HHWGVTMFLJTVJP-KRWDZBQOSA-N 0 3 369.469 2.062 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CNCC[C@H]1CCCCO1 ZINC000181259562 547281662 /nfs/dbraw/zinc/28/16/62/547281662.db2.gz WPDUPDZLUYRQQR-MRXNPFEDSA-N 0 3 350.507 2.429 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000182067015 547431213 /nfs/dbraw/zinc/43/12/13/547431213.db2.gz MPCRFIOOQOOLOD-INIZCTEOSA-N 0 3 374.506 2.482 10 0 FEAEHN COC(=O)c1ccccc1OCCN1CCC[C@H](Cc2noc(C)n2)C1 ZINC000182126897 547441984 /nfs/dbraw/zinc/44/19/84/547441984.db2.gz BNQCSCKYVONFGZ-OAHLLOKOSA-N 0 3 359.426 2.498 10 0 FEAEHN CC[C@@H]1CCCCN1C(=O)C(C)S(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000182390481 547483925 /nfs/dbraw/zinc/48/39/25/547483925.db2.gz GPBAIQZAXIHQBQ-ZIAGYGMSSA-N 0 3 370.519 2.033 10 0 FEAEHN Cc1ccc(CN2CCCN(C(=O)CN[C@@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC000183146859 547610430 /nfs/dbraw/zinc/61/04/30/547610430.db2.gz MFWGPXXBBUWAQP-ICSRJNTNSA-N 0 3 359.514 2.186 10 0 FEAEHN CC1(C)CCc2ccccc2[C@H]1NCC(=O)NCCCN1CCCC1=O ZINC000183212168 547622135 /nfs/dbraw/zinc/62/21/35/547622135.db2.gz URGLXWPBIGBSSL-HXUWFJFHSA-N 0 3 357.498 2.418 10 0 FEAEHN C[C@H](COCc1ccccc1)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000183219210 547623194 /nfs/dbraw/zinc/62/31/94/547623194.db2.gz HTRPWAFOZCRLBW-MRXNPFEDSA-N 0 3 357.454 2.357 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@@H](CN1CCOCC1)c1ccccc1C)CC2 ZINC000183753397 547713276 /nfs/dbraw/zinc/71/32/76/547713276.db2.gz SNCRJSNRJOLXFP-MJGOQNOKSA-N 0 3 369.513 2.127 10 0 FEAEHN Cc1ccnn1-c1ccccc1NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000184300323 547802958 /nfs/dbraw/zinc/80/29/58/547802958.db2.gz YGYHJNFWJXXTCR-MRXNPFEDSA-N 0 3 371.485 2.212 10 0 FEAEHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000185509281 547995111 /nfs/dbraw/zinc/99/51/11/547995111.db2.gz HPJYRQCQNNJWKF-ILXRZTDVSA-N 0 3 364.456 2.433 10 0 FEAEHN COC[C@@H](NC(=O)NC[C@@H](O)CN1CCCCC1)c1ccc(Cl)cc1 ZINC000194631705 548509219 /nfs/dbraw/zinc/50/92/19/548509219.db2.gz MJDGWEJCJMCJMU-IAGOWNOFSA-N 0 3 369.893 2.174 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(CC(=O)NCc2ccccc2F)C1 ZINC000195300734 548616507 /nfs/dbraw/zinc/61/65/07/548616507.db2.gz MDOPQQVUSKQNAW-SFHVURJKSA-N 0 3 370.472 2.291 10 0 FEAEHN CCOc1ccc(-c2noc(CCC(=O)N3CCN4CCC[C@H]4C3)n2)cc1 ZINC000195329224 548625621 /nfs/dbraw/zinc/62/56/21/548625621.db2.gz UPFSUIPIRKGVHV-INIZCTEOSA-N 0 3 370.453 2.375 10 0 FEAEHN O=C(CN1CCC(c2ccn[nH]2)CC1)Nc1ccccc1N1CCCC1=O ZINC000195505388 548652011 /nfs/dbraw/zinc/65/20/11/548652011.db2.gz BUMLTWFCDGKKLS-UHFFFAOYSA-N 0 3 367.453 2.355 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](NC(=O)c1cccs1)C(C)C ZINC000245436591 548918563 /nfs/dbraw/zinc/91/85/63/548918563.db2.gz VIIUCHGIDLLXOE-ZBFHGGJFSA-N 0 3 351.516 2.445 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cn(-c2cccc(Cl)c2F)nn1 ZINC000245630859 548961352 /nfs/dbraw/zinc/96/13/52/548961352.db2.gz UEEJMJSJOJNMLJ-NEPJUHHUSA-N 0 3 363.824 2.369 10 0 FEAEHN CN(C[C@H]1CCCN(C)C1)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000245699766 548978238 /nfs/dbraw/zinc/97/82/38/548978238.db2.gz ZAIZCYXHCMYRNK-YJLNNSPDSA-N 0 3 361.461 2.145 10 0 FEAEHN CCn1cnnc1[C@H]1CCCN(C[C@@H](O)COc2cccc3[nH]ccc32)C1 ZINC000245763418 548990752 /nfs/dbraw/zinc/99/07/52/548990752.db2.gz IMBQFYFJTUUDCG-JKSUJKDBSA-N 0 3 369.469 2.399 10 0 FEAEHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000245838600 549000908 /nfs/dbraw/zinc/00/09/08/549000908.db2.gz JDQYUFHBTUPKLW-SJLPKXTDSA-N 0 3 355.486 2.440 10 0 FEAEHN COCCO[C@@H]1CCCN(C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000245900322 549015327 /nfs/dbraw/zinc/01/53/27/549015327.db2.gz PUSRMMPPBPXGAT-QZTJIDSGSA-N 0 3 357.878 2.345 10 0 FEAEHN C[C@@H]1CN(Cc2ccccc2NC(=O)N2CC[C@@H](N(C)C)C2)C[C@@H](C)O1 ZINC000246024170 549037436 /nfs/dbraw/zinc/03/74/36/549037436.db2.gz QHDURURSHMYRPN-JFIYKMOQSA-N 0 3 360.502 2.464 10 0 FEAEHN C[C@H](NC(=O)CN1CCO[C@@H](CN(C)C)C1)c1ccc(Cl)c(Cl)c1 ZINC000246331342 549107693 /nfs/dbraw/zinc/10/76/93/549107693.db2.gz LBSJPSRXFJEPBU-JSGCOSHPSA-N 0 3 374.312 2.433 10 0 FEAEHN CC(C)N(C)c1cccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000246428417 549131105 /nfs/dbraw/zinc/13/11/05/549131105.db2.gz MYTNUCTWEKSEQE-MAUKXSAKSA-N 0 3 360.502 2.315 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc(I)c[nH]2)C1 ZINC000246965192 549253427 /nfs/dbraw/zinc/25/34/27/549253427.db2.gz FWSFCPPKTYBFFO-JOYOIKCWSA-N 0 3 361.227 2.078 10 0 FEAEHN COCCN1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C[C@@H]1C ZINC000246989560 549259249 /nfs/dbraw/zinc/25/92/49/549259249.db2.gz GBVVMTJIWUUBGS-ICSRJNTNSA-N 0 3 374.529 2.013 10 0 FEAEHN CCCCNC(=O)[C@H](C)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000247019925 549266579 /nfs/dbraw/zinc/26/65/79/549266579.db2.gz PBFWVWHZBFKJPA-JYJNAYRXSA-N 0 3 353.532 2.404 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000247050137 549273135 /nfs/dbraw/zinc/27/31/35/549273135.db2.gz GXMDMTZDWFCXAZ-RLLQIKCJSA-N 0 3 369.509 2.163 10 0 FEAEHN CC[C@H]1CN(Cc2ccc3oc(C(=O)OC)cc3c2)CCN1C[C@H](C)O ZINC000247055222 549273904 /nfs/dbraw/zinc/27/39/04/549273904.db2.gz VYACAQFWEARAHO-YOEHRIQHSA-N 0 3 360.454 2.496 10 0 FEAEHN CC(=O)c1cccc(OC[C@H](O)CN2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000247199370 549298320 /nfs/dbraw/zinc/29/83/20/549298320.db2.gz WYXXBJRICZDXAJ-RTBURBONSA-N 0 3 357.454 2.298 10 0 FEAEHN CC(C)[C@H](NC(=O)c1cccs1)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000247326918 549319023 /nfs/dbraw/zinc/31/90/23/549319023.db2.gz MTLWOAXPGRKODJ-LZWOXQAQSA-N 0 3 351.516 2.347 10 0 FEAEHN CCOCCN1CCN(C[C@@H](O)COc2ccc(C)cc2)C[C@@H]1CC ZINC000247813114 549384391 /nfs/dbraw/zinc/38/43/91/549384391.db2.gz VLJVFTUKGRUTJV-RBUKOAKNSA-N 0 3 350.503 2.167 10 0 FEAEHN CC[C@H]1CN(CCC(=O)Nc2cccc(Cl)c2)CCN1C[C@H](C)O ZINC000247881511 549390007 /nfs/dbraw/zinc/39/00/07/549390007.db2.gz ZHXXRLZWGNLNSU-YOEHRIQHSA-N 0 3 353.894 2.446 10 0 FEAEHN COC(=O)[C@H](N[C@H]1CN(C(C)C)C[C@H]1C)c1cc(OC)cc(OC)c1 ZINC000248053479 549404009 /nfs/dbraw/zinc/40/40/09/549404009.db2.gz WWRZONFQDHLACA-JEBQAFNWSA-N 0 3 350.459 2.236 10 0 FEAEHN O=C(CCN1CCN2CCCC[C@H]2C1)Nc1ccccc1C(=O)NC1CC1 ZINC000248345782 549421081 /nfs/dbraw/zinc/42/10/81/549421081.db2.gz NEJKLDBRCRLPOY-KRWDZBQOSA-N 0 3 370.497 2.078 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1CCCS(=O)(=O)c1ccccc1OC ZINC000248614752 549468030 /nfs/dbraw/zinc/46/80/30/549468030.db2.gz IBMUWNWJMSLQSN-SJORKVTESA-N 0 3 366.527 2.418 10 0 FEAEHN C[C@H](C(=O)N1CCC(C)CC1)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248639618 549473555 /nfs/dbraw/zinc/47/35/55/549473555.db2.gz BKSBBSFGZDUUSI-QUCCMNQESA-N 0 3 358.530 2.482 10 0 FEAEHN CC[C@H]1Cc2ccccc2CN1C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000248637870 549473711 /nfs/dbraw/zinc/47/37/11/549473711.db2.gz WSBQBPNDMDJFAX-ZWKOTPCHSA-N 0 3 364.445 2.480 10 0 FEAEHN COc1nc(C)c(Br)cc1C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000249137694 549559542 /nfs/dbraw/zinc/55/95/42/549559542.db2.gz OTPFAYMLJGLZAW-PWSUYJOCSA-N 0 3 368.275 2.470 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cnc(Cl)cc1C ZINC000249148948 549561237 /nfs/dbraw/zinc/56/12/37/549561237.db2.gz GWTGBJXEDMUAJC-STQMWFEESA-N 0 3 350.850 2.067 10 0 FEAEHN CCC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2CC)cc1 ZINC000249207002 549569132 /nfs/dbraw/zinc/56/91/32/549569132.db2.gz RYXZMQXHUDSAHU-IRXDYDNUSA-N 0 3 372.469 2.059 10 0 FEAEHN CSc1c(F)cc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1F ZINC000249247304 549571958 /nfs/dbraw/zinc/57/19/58/549571958.db2.gz XLVRLDBYEBXLCD-JQWIXIFHSA-N 0 3 369.437 2.320 10 0 FEAEHN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)C1 ZINC000251565608 549648287 /nfs/dbraw/zinc/64/82/87/549648287.db2.gz GYHQEBLKTVVAGC-CEXWTWQISA-N 0 3 373.497 2.341 10 0 FEAEHN CCN(Cc1cc(Br)ccc1F)C(=O)C1(N)CCOCC1 ZINC000261770456 549753244 /nfs/dbraw/zinc/75/32/44/549753244.db2.gz GQAFFOPIPDCTKF-UHFFFAOYSA-N 0 3 359.239 2.445 10 0 FEAEHN NC1(C(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CCOCC1 ZINC000261885876 549766180 /nfs/dbraw/zinc/76/61/80/549766180.db2.gz PUAYGXRYVAASFN-UHFFFAOYSA-N 0 3 371.412 2.202 10 0 FEAEHN Cc1ccc(-c2nc([C@H]3CNCCN3C)no2)cc1NC(=O)c1ccco1 ZINC000263138989 549880697 /nfs/dbraw/zinc/88/06/97/549880697.db2.gz CFSUXDKSHMOXHL-OAHLLOKOSA-N 0 3 367.409 2.466 10 0 FEAEHN CN1CCNC[C@H]1c1noc(COc2ccc(F)cc2Br)n1 ZINC000263310246 549894256 /nfs/dbraw/zinc/89/42/56/549894256.db2.gz YLRLTKPFHXACAW-NSHDSACASA-N 0 3 371.210 2.126 10 0 FEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC000263454213 549902291 /nfs/dbraw/zinc/90/22/91/549902291.db2.gz AMCRVHNOMGGMIK-IUDNXUCKSA-N 0 3 350.459 2.162 10 0 FEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC000263454213 549902294 /nfs/dbraw/zinc/90/22/94/549902294.db2.gz AMCRVHNOMGGMIK-IUDNXUCKSA-N 0 3 350.459 2.162 10 0 FEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC000263454213 549902295 /nfs/dbraw/zinc/90/22/95/549902295.db2.gz AMCRVHNOMGGMIK-IUDNXUCKSA-N 0 3 350.459 2.162 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)Nc1cnn(C)c(=O)c1Br ZINC000302044625 553700212 /nfs/dbraw/zinc/70/02/12/553700212.db2.gz XMWKBVUWKIAFIY-LBPRGKRZSA-N 0 3 365.275 2.475 10 0 FEAEHN CCc1nn(C)cc1CN1CCC[C@H](N(Cc2cncnc2)C(C)=O)CC1 ZINC000328628497 553799038 /nfs/dbraw/zinc/79/90/38/553799038.db2.gz HIKBIHOMJFVZOQ-IBGZPJMESA-N 0 3 370.501 2.176 10 0 FEAEHN Cn1cc([C@H]2[C@H](CNCc3ncccc3C(F)(F)F)CC(=O)N2C)cn1 ZINC000328642892 553801268 /nfs/dbraw/zinc/80/12/68/553801268.db2.gz YPSDPRWLHROONE-MEDUHNTESA-N 0 3 367.375 2.143 10 0 FEAEHN C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000375435139 558026683 /nfs/dbraw/zinc/02/66/83/558026683.db2.gz XAZJEUYQPQPHAB-FOUISUBBSA-N 0 3 352.519 2.322 10 0 FEAEHN CCN1C[C@@H](C)[C@@H](NCc2ncc(I)s2)C1 ZINC000381742886 558603629 /nfs/dbraw/zinc/60/36/29/558603629.db2.gz PKSOITKLSHKKMS-BDAKNGLRSA-N 0 3 351.257 2.178 10 0 FEAEHN COc1cc([C@@H](N)CC[NH3+])c(Br)c(Br)c1[O-] ZINC000396461798 558623495 /nfs/dbraw/zinc/62/34/95/558623495.db2.gz JCXLAWPOGRQTHH-LURJTMIESA-N 0 3 354.042 2.274 10 0 FEAEHN CN(C)C[C@@H](NC(=O)NCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC000160992386 672294838 /nfs/dbraw/zinc/29/48/38/672294838.db2.gz XVJMCPMCEVRAQB-OAHLLOKOSA-N 0 3 350.463 2.113 10 0 FEAEHN CC[C@@H]1CN(Cn2c3cc(Cl)ccc3oc2=O)CCN1CCOC ZINC000172238520 672340305 /nfs/dbraw/zinc/34/03/05/672340305.db2.gz IOOUXZOOXGQPGQ-CQSZACIVSA-N 0 3 353.850 2.248 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000246386119 672836133 /nfs/dbraw/zinc/83/61/33/672836133.db2.gz QUXYWVIUGWRVLR-GJZGRUSLSA-N 0 3 354.495 2.122 10 0 FEAEHN C[C@@H]1C[C@H](NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CN1C1CC1 ZINC000247035513 672845683 /nfs/dbraw/zinc/84/56/83/672845683.db2.gz UGMJYLJGTIHBHL-ILXRZTDVSA-N 0 3 351.491 2.375 10 0 FEAEHN CC[C@@H]1CN(Cn2c(=O)sc3c2CC[C@H](C)C3)CCN1CCOC ZINC000247101050 672846106 /nfs/dbraw/zinc/84/61/06/672846106.db2.gz MOUFMJDBSTUIMK-LSDHHAIUSA-N 0 3 353.532 2.035 10 0 FEAEHN CC(C)[C@H](O)CNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000253350512 672878795 /nfs/dbraw/zinc/87/87/95/672878795.db2.gz STFSKFFANKQCAI-BZUAXINKSA-N 0 3 358.404 2.430 10 0 FEAEHN CC(=O)N1C[C@@H](NCc2cccc3c2OCCO3)CC[C@H]1C(F)(F)F ZINC000886063016 688199005 /nfs/dbraw/zinc/19/90/05/688199005.db2.gz FIHBJHNNVZCWKB-ZFWWWQNUSA-N 0 3 358.360 2.489 10 0 FEAEHN CCOc1ccccc1CN1CCC(n2cc(C(=O)NC3CC3)nn2)CC1 ZINC000012159406 539547615 /nfs/dbraw/zinc/54/76/15/539547615.db2.gz NPJZXBFKBNACSA-UHFFFAOYSA-N 0 3 369.469 2.406 10 0 FEAEHN CN(Cc1ccnc2ccccc12)C[C@]1(O)CCCN(CC2CC2)C1=O ZINC000012449026 539560797 /nfs/dbraw/zinc/56/07/97/539560797.db2.gz IACNDYODOJSVQE-OAQYLSRUSA-N 0 3 353.466 2.430 10 0 FEAEHN CCN(CC)C(=O)c1ccc(CNC(=O)N[C@@H]2CCCN(CC)C2)cc1 ZINC000052523942 540471206 /nfs/dbraw/zinc/47/12/06/540471206.db2.gz MDSJPYXRIXPBDW-GOSISDBHSA-N 0 3 360.502 2.452 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N(C)Cc2ccccc2N2CCOCC2)C1 ZINC000052593653 540476389 /nfs/dbraw/zinc/47/63/89/540476389.db2.gz NZORMENBFUCUOT-GOSISDBHSA-N 0 3 360.502 2.149 10 0 FEAEHN O=C(NC[C@@H](O)CN1CCCCC1)N[C@@H]1CCc2c1cccc2Cl ZINC000056901675 540754415 /nfs/dbraw/zinc/75/44/15/540754415.db2.gz LQIFODKKQPXXFS-CXAGYDPISA-N 0 3 351.878 2.473 10 0 FEAEHN COc1ccc2ccccc2c1CNC(=O)NC[C@H](O)CN1CCCCC1 ZINC000061955307 541142161 /nfs/dbraw/zinc/14/21/61/541142161.db2.gz DEAXDQZQZGBRFY-KRWDZBQOSA-N 0 3 371.481 2.494 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccccc2SCCC(N)=O)C1 ZINC000069339473 541679283 /nfs/dbraw/zinc/67/92/83/541679283.db2.gz OMWLYDQXVFSVIC-CYBMUJFWSA-N 0 3 350.488 2.260 10 0 FEAEHN COc1c(F)cccc1C(=O)N1CCC2(CC1)c1ccccc1[C@@H](N)[C@@H]2O ZINC000072125278 541784091 /nfs/dbraw/zinc/78/40/91/541784091.db2.gz YPIJVLMCHWAOGF-MJGOQNOKSA-N 0 3 370.424 2.383 10 0 FEAEHN CC(C)C[C@H](NC(=O)[C@@H](NC[C@@H](C)O)C(C)C)C(=O)Nc1ccccc1 ZINC000002561153 204043369 /nfs/dbraw/zinc/04/33/69/204043369.db2.gz RRWGVFNMYYPEKW-NJAFHUGGSA-N 0 3 363.502 2.151 10 0 FEAEHN CN1CCC(OC(=O)c2cc(I)ccc2N)CC1 ZINC000062824560 205291976 /nfs/dbraw/zinc/29/19/76/205291976.db2.gz AMMXAQWNWJGKBM-UHFFFAOYSA-N 0 3 360.195 2.124 10 0 FEAEHN CCc1ccc(NC(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1 ZINC000224312233 132283152 /nfs/dbraw/zinc/28/31/52/132283152.db2.gz ICOZGKADBMSMLH-UHFFFAOYSA-N 0 3 354.458 2.459 10 0 FEAEHN O=c1c2sccc2nc(N2CCNCC2)n1CCOc1ccc(F)cc1 ZINC000057344406 132376435 /nfs/dbraw/zinc/37/64/35/132376435.db2.gz RSTIWXBPXDFFIG-UHFFFAOYSA-N 0 3 374.441 2.086 10 0 FEAEHN Cc1nc(C[C@H]2CCCN(CCC(=O)Nc3ccc4c(c3)OCO4)C2)no1 ZINC000101587056 543035705 /nfs/dbraw/zinc/03/57/05/543035705.db2.gz YGCZRXMPCTYRLA-CQSZACIVSA-N 0 3 372.425 2.390 10 0 FEAEHN COCCN1CCN(C[C@H](O)COc2cccc3ccccc32)C[C@@H]1C ZINC000106108767 543199760 /nfs/dbraw/zinc/19/97/60/543199760.db2.gz JRFCNSRFRKADPS-HKUYNNGSSA-N 0 3 358.482 2.232 10 0 FEAEHN C[C@@H](O)CN1CCN(Cc2cccc(C(=O)NCc3ccco3)c2)C[C@@H]1C ZINC000106097757 543195646 /nfs/dbraw/zinc/19/56/46/543195646.db2.gz CJBBGLUIUVXMOX-DLBZAZTESA-N 0 3 371.481 2.097 10 0 FEAEHN Cc1c([O-])ccc2c(C[N@@H+]3CCC[C@H](Cn4cncn4)C3)cc(=O)oc12 ZINC000106175493 543212798 /nfs/dbraw/zinc/21/27/98/543212798.db2.gz SJWCKUNRQWXSAO-AWEZNQCLSA-N 0 3 354.410 2.311 10 0 FEAEHN Cc1c([O-])ccc2c(C[N@H+]3CCC[C@H](Cn4cncn4)C3)cc(=O)oc12 ZINC000106175493 543212800 /nfs/dbraw/zinc/21/28/00/543212800.db2.gz SJWCKUNRQWXSAO-AWEZNQCLSA-N 0 3 354.410 2.311 10 0 FEAEHN Cc1nc(C)n(C[C@H]2CCCN(CCc3nc4ccccc4c(=O)[nH]3)C2)n1 ZINC000106177295 543213428 /nfs/dbraw/zinc/21/34/28/543213428.db2.gz DJEGIHQPCPBWET-INIZCTEOSA-N 0 3 366.469 2.086 10 0 FEAEHN C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)CN1CCN(C)CC1 ZINC000109151421 543316162 /nfs/dbraw/zinc/31/61/62/543316162.db2.gz IWSRPVKFDRTBRU-FVQBIDKESA-N 0 3 351.441 2.068 10 0 FEAEHN CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000110867191 543370947 /nfs/dbraw/zinc/37/09/47/543370947.db2.gz QNTQUJSUQMYPHI-JKSUJKDBSA-N 0 3 351.441 2.164 10 0 FEAEHN CC(C)(CNC(=O)N1CCO[C@H](c2nccs2)C1)N1CCCCC1 ZINC000111798879 543415894 /nfs/dbraw/zinc/41/58/94/543415894.db2.gz CPJIWEPCILFRKR-AWEZNQCLSA-N 0 3 352.504 2.491 10 0 FEAEHN Cc1ccc(C(=O)NCCNC(=O)N[C@H](CN(C)C)c2ccccc2)cc1 ZINC000111808045 543416531 /nfs/dbraw/zinc/41/65/31/543416531.db2.gz FWLBJSNGAGDIQG-LJQANCHMSA-N 0 3 368.481 2.327 10 0 FEAEHN CC(C)c1ccccc1OCCNC(=O)NC[C@H](O)CN1CCCCC1 ZINC000111895909 543424125 /nfs/dbraw/zinc/42/41/25/543424125.db2.gz IKZBBAAGLLEANI-KRWDZBQOSA-N 0 3 363.502 2.335 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000112444548 543446959 /nfs/dbraw/zinc/44/69/59/543446959.db2.gz HOBMWQPOQPQMFX-RHSMWYFYSA-N 0 3 362.449 2.057 10 0 FEAEHN CCCC[C@@H](N[C@@H]1CCc2nc(CC)nn2C1)C(=O)Nc1cc(C)on1 ZINC000112550865 543451492 /nfs/dbraw/zinc/45/14/92/543451492.db2.gz YHPKQCSGDYUERW-ZIAGYGMSSA-N 0 3 360.462 2.239 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@@H](C)C(=O)N(C)Cc1ccccc1)CC2 ZINC000112551965 543451862 /nfs/dbraw/zinc/45/18/62/543451862.db2.gz GFYJBQKFPLLRDM-DOTOQJQBSA-N 0 3 355.486 2.353 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000113231573 543478345 /nfs/dbraw/zinc/47/83/45/543478345.db2.gz GXMDMTZDWFCXAZ-MISYRCLQSA-N 0 3 369.509 2.163 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)CCCCCNC(=O)NC2CCCCC2)C1 ZINC000115361922 543561882 /nfs/dbraw/zinc/56/18/82/543561882.db2.gz BLNHJMBQKRAITN-QGZVFWFLSA-N 0 3 352.523 2.341 10 0 FEAEHN COc1ccc2ccccc2c1CNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117029847 543621959 /nfs/dbraw/zinc/62/19/59/543621959.db2.gz BYNFQQFEWVPKRX-MRXNPFEDSA-N 0 3 357.454 2.320 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NCC2(c3cccc(Cl)c3)CC2)CCO1 ZINC000121073723 543688735 /nfs/dbraw/zinc/68/87/35/543688735.db2.gz JCHVYIXXOOYYMN-MRXNPFEDSA-N 0 3 351.878 2.344 10 0 FEAEHN CC[C@@](C)(O)CN1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000123509803 543766646 /nfs/dbraw/zinc/76/66/46/543766646.db2.gz SESJIPCONGHNRE-ZUOKHONESA-N 0 3 360.454 2.462 10 0 FEAEHN CCc1ccc([C@@H](C)N[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000126268957 543927497 /nfs/dbraw/zinc/92/74/97/543927497.db2.gz PCYYATCUELOJIE-IAGOWNOFSA-N 0 3 367.497 2.427 10 0 FEAEHN CS[C@H](C)CNC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000129175297 544095154 /nfs/dbraw/zinc/09/51/54/544095154.db2.gz FAQKIGKDJMKIOB-QAPCUYQASA-N 0 3 365.543 2.483 10 0 FEAEHN CN(Cc1cc(Br)cs1)C(=O)C(C)(C)N1CCNCC1 ZINC000129656465 544122326 /nfs/dbraw/zinc/12/23/26/544122326.db2.gz PZWGTCSPGNDVEV-UHFFFAOYSA-N 0 3 360.321 2.153 10 0 FEAEHN O=C1CCCN1C[C@@H](O)CN1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000132915279 544248421 /nfs/dbraw/zinc/24/84/21/544248421.db2.gz IRXOFKUSYGFVQS-JSGCOSHPSA-N 0 3 373.280 2.430 10 0 FEAEHN CCC[C@H](C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)N(C)C ZINC000136456299 544373431 /nfs/dbraw/zinc/37/34/31/544373431.db2.gz GYYFPBSOFUSAEE-QGZVFWFLSA-N 0 3 365.905 2.284 10 0 FEAEHN CC(C)C(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000150791273 544472375 /nfs/dbraw/zinc/47/23/75/544472375.db2.gz DLWUEFGXBLVNEJ-YOEHRIQHSA-N 0 3 374.485 2.065 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000150797169 544472674 /nfs/dbraw/zinc/47/26/74/544472674.db2.gz ROXTXBZOAIJADT-RISCZKNCSA-N 0 3 357.376 2.489 10 0 FEAEHN Cc1c([C@H](C)NC[C@@H](O)CN2CCCCC2)nnn1-c1ccc(F)cc1 ZINC000151303569 544526471 /nfs/dbraw/zinc/52/64/71/544526471.db2.gz JMLKSYKIVNWIOT-KBXCAEBGSA-N 0 3 361.465 2.212 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H](c1ccccc1)N1CCCCC1=O ZINC000247517723 549348949 /nfs/dbraw/zinc/34/89/49/549348949.db2.gz WLETWNXIFJFQQZ-POAQFYNOSA-N 0 3 355.482 2.435 10 0 FEAEHN COc1ccc(C(=O)N2CC[C@H](N(C)C)C2)cc1I ZINC000152149898 544619250 /nfs/dbraw/zinc/61/92/50/544619250.db2.gz YRKJGHYZKUSVMR-NSHDSACASA-N 0 3 374.222 2.076 10 0 FEAEHN COc1cccc(COC[C@@H](O)CN2CC[C@H](Oc3cccnc3)C2)c1 ZINC000152301785 544636737 /nfs/dbraw/zinc/63/67/37/544636737.db2.gz MYXHYWAXVSGVDH-PXNSSMCTSA-N 0 3 358.438 2.121 10 0 FEAEHN CC[C@H]1CN(CCCc2nc(-c3ccccc3)no2)CCN1C[C@H](C)O ZINC000247534717 549351352 /nfs/dbraw/zinc/35/13/52/549351352.db2.gz CIYOFTJWPOMVLE-WMZOPIPTSA-N 0 3 358.486 2.446 10 0 FEAEHN CSc1ccccc1NC(=O)CCN1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247534560 549351399 /nfs/dbraw/zinc/35/13/99/549351399.db2.gz CHRVJMPMPMTOBD-GJZGRUSLSA-N 0 3 351.516 2.124 10 0 FEAEHN COc1ccccc1N1CC[C@@H](N2CCC[C@@H]2Cn2ccnc2C)C1=O ZINC000154126290 544867570 /nfs/dbraw/zinc/86/75/70/544867570.db2.gz XRDYZOQEURDAHH-SJLPKXTDSA-N 0 3 354.454 2.470 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)nc1 ZINC000154892901 544963048 /nfs/dbraw/zinc/96/30/48/544963048.db2.gz SYTQQUIWOJHGIC-UHFFFAOYSA-N 0 3 374.435 2.313 10 0 FEAEHN Cc1cc(C)cc(OC[C@@H](O)CN2CCC(N(C)c3cccnn3)CC2)c1 ZINC000155057386 544983362 /nfs/dbraw/zinc/98/33/62/544983362.db2.gz SDGNPADGTNWSSK-IBGZPJMESA-N 0 3 370.497 2.434 10 0 FEAEHN CCOCCN(C)C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000179515440 327647588 /nfs/dbraw/zinc/64/75/88/327647588.db2.gz IFTRRDAJOMLJPP-IBGZPJMESA-N 0 3 363.502 2.110 10 0 FEAEHN COC(=O)CNC(=O)CCN[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180067889 327669778 /nfs/dbraw/zinc/66/97/78/327669778.db2.gz YNLQARLMEHGUQI-INIZCTEOSA-N 0 3 358.360 2.425 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2ccccc2C(=O)N2CCCCC2)CCO1 ZINC000181129006 327717236 /nfs/dbraw/zinc/71/72/36/327717236.db2.gz ILFXSSMVDCYAMX-MRXNPFEDSA-N 0 3 374.485 2.107 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCc1ccc(N2CCOC2=O)cc1 ZINC000181893334 327751284 /nfs/dbraw/zinc/75/12/84/327751284.db2.gz VUZUZCNAVHMRFV-MRXNPFEDSA-N 0 3 362.474 2.419 10 0 FEAEHN COc1ccc(CN(C)C(=O)[C@H](C)N[C@@H](C)[C@@H]2CCCO2)cc1OC ZINC000183123951 327802893 /nfs/dbraw/zinc/80/28/93/327802893.db2.gz CAUFJDGDNGLMQB-DZKIICNBSA-N 0 3 350.459 2.208 10 0 FEAEHN COc1ccc(CN(C)C(=O)[C@H](C)N[C@H](C)[C@@H]2CCCO2)cc1OC ZINC000183123966 327802937 /nfs/dbraw/zinc/80/29/37/327802937.db2.gz CAUFJDGDNGLMQB-YCPHGPKFSA-N 0 3 350.459 2.208 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2cnc(Cc3ccccc3F)s2)CCO1 ZINC000185439334 327916420 /nfs/dbraw/zinc/91/64/20/327916420.db2.gz FQRLCJUVCRLKIH-AWEZNQCLSA-N 0 3 363.458 2.276 10 0 FEAEHN COc1cc(Br)ccc1CNC(=O)N1CC[C@@H](N(C)C)C1 ZINC000187847867 328050319 /nfs/dbraw/zinc/05/03/19/328050319.db2.gz USPSQMPPGATIMK-CYBMUJFWSA-N 0 3 356.264 2.303 10 0 FEAEHN Cc1noc(-c2ccccc2)c1NC(=O)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000190082517 328186614 /nfs/dbraw/zinc/18/66/14/328186614.db2.gz PDFYZCVWGZUHLX-XJKSGUPXSA-N 0 3 368.437 2.284 10 0 FEAEHN Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000190083336 328186748 /nfs/dbraw/zinc/18/67/48/328186748.db2.gz FECZKWGBCBDPMT-WMZOPIPTSA-N 0 3 370.497 2.229 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1OC(F)F ZINC000190351839 328202015 /nfs/dbraw/zinc/20/20/15/328202015.db2.gz SRDCVFWGSAZAKC-CHWSQXEVSA-N 0 3 367.396 2.312 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cnc2ccccc2c1 ZINC000190352445 328202054 /nfs/dbraw/zinc/20/20/54/328202054.db2.gz YFKFDLZAZIVDAR-IAGOWNOFSA-N 0 3 352.438 2.259 10 0 FEAEHN CCN(CC(=O)OC(C)(C)C)C1CCN([C@H]2CCN(C(C)C)C2=O)CC1 ZINC000190356778 328202357 /nfs/dbraw/zinc/20/23/57/328202357.db2.gz BOFMDSGHWBNPLZ-KRWDZBQOSA-N 0 3 367.534 2.124 10 0 FEAEHN CCn1cc([C@H]2CN(C(=O)NCC(C)(C)N3CCCCC3)CCO2)cn1 ZINC000190463746 328209199 /nfs/dbraw/zinc/20/91/99/328209199.db2.gz GQMZQTXGVRSLHK-QGZVFWFLSA-N 0 3 363.506 2.250 10 0 FEAEHN CC(=O)N[C@H](C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1)C1CCCC1 ZINC000190586581 328218078 /nfs/dbraw/zinc/21/80/78/328218078.db2.gz HTHNCSKQOSLUKI-ICSRJNTNSA-N 0 3 372.513 2.057 10 0 FEAEHN COc1ncccc1CNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190690879 328225035 /nfs/dbraw/zinc/22/50/35/328225035.db2.gz LOVPWQBWLBNSNY-KRWDZBQOSA-N 0 3 369.469 2.149 10 0 FEAEHN COCCCCNC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000190693249 328225580 /nfs/dbraw/zinc/22/55/80/328225580.db2.gz RTBPHHSZNTXJDH-OAHLLOKOSA-N 0 3 354.520 2.341 10 0 FEAEHN COC(=O)CCCC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000190711686 328226688 /nfs/dbraw/zinc/22/66/88/328226688.db2.gz FIZRILHBJGSQTK-AWEZNQCLSA-N 0 3 353.488 2.075 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NCCc2cscn2)C1 ZINC000190728682 328228165 /nfs/dbraw/zinc/22/81/65/328228165.db2.gz BHWGXGBLMNKMHK-MRXNPFEDSA-N 0 3 359.499 2.244 10 0 FEAEHN COc1cc(CNC(=O)[C@H]2CCCO[C@@H]2C)ccc1OCCN(C)C ZINC000190896664 328239008 /nfs/dbraw/zinc/23/90/08/328239008.db2.gz KMNJUYKYHIHAGL-ZBFHGGJFSA-N 0 3 350.459 2.067 10 0 FEAEHN O=C(NCCN1CCc2c(Cl)cccc2C1)N1CCN2CCC[C@@H]2C1 ZINC000190900322 328239209 /nfs/dbraw/zinc/23/92/09/328239209.db2.gz NVRYLRIXXOOSDR-MRXNPFEDSA-N 0 3 362.905 2.188 10 0 FEAEHN Cc1csc([C@@H]2CN(CCCN3CCN(C(C)C)CC3)CCO2)n1 ZINC000191468141 328267037 /nfs/dbraw/zinc/26/70/37/328267037.db2.gz YKFQSYOBBBCAPL-KRWDZBQOSA-N 0 3 352.548 2.241 10 0 FEAEHN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000191637394 328275087 /nfs/dbraw/zinc/27/50/87/328275087.db2.gz DLRIQXUXCSXAMO-YJBOKZPZSA-N 0 3 359.470 2.266 10 0 FEAEHN CC(=O)N1C[C@@H](O)C[C@@H]1c1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000191686289 328277195 /nfs/dbraw/zinc/27/71/95/328277195.db2.gz XTHLQDDBPADIOE-ZWKOTPCHSA-N 0 3 370.453 2.377 10 0 FEAEHN Cc1cc(S(=O)(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)c(C)o1 ZINC000192940182 328347942 /nfs/dbraw/zinc/34/79/42/328347942.db2.gz IJXGUOPSWRXSFH-KRWDZBQOSA-N 0 3 363.483 2.434 10 0 FEAEHN CCc1nc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2CC)sc1C ZINC000193415197 328374155 /nfs/dbraw/zinc/37/41/55/328374155.db2.gz HOARDLCHVVTYMD-STQMWFEESA-N 0 3 350.488 2.038 10 0 FEAEHN COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CCC[NH2+][C@@H]1C ZINC000193460577 328376777 /nfs/dbraw/zinc/37/67/77/328376777.db2.gz DPAOMVGEVJHXMX-PWSUYJOCSA-N 0 3 368.480 2.107 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000194193713 328414793 /nfs/dbraw/zinc/41/47/93/328414793.db2.gz LGPUULLYKNGEMH-QGZVFWFLSA-N 0 3 352.523 2.007 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000079013656 325072415 /nfs/dbraw/zinc/07/24/15/325072415.db2.gz PYWHIGCKAWCWQI-ZBFHGGJFSA-N 0 3 369.531 2.427 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCCN(CC(F)(F)F)CC1 ZINC000079495550 325093537 /nfs/dbraw/zinc/09/35/37/325093537.db2.gz JIUVMLMCUYWHJF-CQSZACIVSA-N 0 3 352.445 2.242 10 0 FEAEHN Cc1nc2n(n1)CCC[C@H]2NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000083750100 325224918 /nfs/dbraw/zinc/22/49/18/325224918.db2.gz WKMVCZQABPCNPB-QGZVFWFLSA-N 0 3 356.474 2.195 10 0 FEAEHN CC(C)(C)OC(=O)N[C@@H]1CCN(C[C@H](O)COCc2ccccc2)C1 ZINC000084963617 325248009 /nfs/dbraw/zinc/24/80/09/325248009.db2.gz XCVLNBPHZVVWBY-SJORKVTESA-N 0 3 350.459 2.163 10 0 FEAEHN Cc1ccc(OC[C@H](O)CN2CCC(Nc3cccnn3)CC2)c(C)c1 ZINC000106079984 325577095 /nfs/dbraw/zinc/57/70/95/325577095.db2.gz VFEBQNKKNOTHAD-GOSISDBHSA-N 0 3 356.470 2.410 10 0 FEAEHN O=c1cc(CN2CCC(Cn3cccn3)CC2)nc2ccc(Cl)cn12 ZINC000106184683 325589954 /nfs/dbraw/zinc/58/99/54/325589954.db2.gz HHGWTXFWSKLZCJ-UHFFFAOYSA-N 0 3 357.845 2.457 10 0 FEAEHN CCN1CCN([C@H](C)CNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000109151364 325660241 /nfs/dbraw/zinc/66/02/41/325660241.db2.gz GTJGHJCZDUJYFP-BMFZPTHFSA-N 0 3 351.441 2.211 10 0 FEAEHN C[C@@H](NC(=O)[C@H](C)N[C@@H]1CCc2ncnn2C1)c1ccc2c(c1)CCCC2 ZINC000111690536 325730356 /nfs/dbraw/zinc/73/03/56/325730356.db2.gz HRKLALHVXAAUIJ-ZRGWGRIASA-N 0 3 367.497 2.327 10 0 FEAEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116535073 326021474 /nfs/dbraw/zinc/02/14/74/326021474.db2.gz DPRAQWHECXMTOI-PKOBYXMFSA-N 0 3 355.486 2.092 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)CCc2cccc(Br)c2)CCO1 ZINC000116786756 326034994 /nfs/dbraw/zinc/03/49/94/326034994.db2.gz XRLNWVONNGZTBA-OAHLLOKOSA-N 0 3 355.276 2.171 10 0 FEAEHN Cc1ccc(C(=O)N2CCO[C@H](CN(C)C)C2)cc1NC(=O)c1ccco1 ZINC000116786790 326035020 /nfs/dbraw/zinc/03/50/20/326035020.db2.gz JJKZRDDKKVWYNE-MRXNPFEDSA-N 0 3 371.437 2.243 10 0 FEAEHN C[C@@H](Oc1ccccc1Br)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000116793091 326035701 /nfs/dbraw/zinc/03/57/01/326035701.db2.gz QKHBPOGOVHJYMK-OLZOCXBDSA-N 0 3 371.275 2.005 10 0 FEAEHN C[C@@H](Oc1ccccc1Br)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000116793085 326035863 /nfs/dbraw/zinc/03/58/63/326035863.db2.gz QKHBPOGOVHJYMK-CHWSQXEVSA-N 0 3 371.275 2.005 10 0 FEAEHN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cccc(CN2CCCC2)c1 ZINC000118674924 326096979 /nfs/dbraw/zinc/09/69/79/326096979.db2.gz XEIMPCKNACHJME-LJQANCHMSA-N 0 3 365.481 2.471 10 0 FEAEHN Cc1cccc(OCCC(=O)NC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000119724104 326191548 /nfs/dbraw/zinc/19/15/48/326191548.db2.gz OSZGEIPEGBGIDX-FQEVSTJZSA-N 0 3 368.477 2.299 10 0 FEAEHN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000119990381 326219166 /nfs/dbraw/zinc/21/91/66/326219166.db2.gz OQUVTNNWQVTDSV-SJORKVTESA-N 0 3 370.501 2.148 10 0 FEAEHN CCOc1ccc(NC(=O)CNC(=O)N[C@@H](CC(C)C)CN(C)C)cc1 ZINC000120475580 326261924 /nfs/dbraw/zinc/26/19/24/326261924.db2.gz WENLFCZHVTZCLO-INIZCTEOSA-N 0 3 364.490 2.299 10 0 FEAEHN Cc1ccccc1-c1cc(NC(=O)N2CCO[C@H](CN(C)C)C2)n(C)n1 ZINC000153584314 326736891 /nfs/dbraw/zinc/73/68/91/326736891.db2.gz MYPPFXVXZQDANS-OAHLLOKOSA-N 0 3 357.458 2.190 10 0 FEAEHN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000153840313 326744389 /nfs/dbraw/zinc/74/43/89/326744389.db2.gz DDPSLRCFCFDWKS-CVEARBPZSA-N 0 3 356.474 2.278 10 0 FEAEHN Cc1cc(C)cc(OC[C@H](O)CN2CCC(N(C)c3cccnn3)CC2)c1 ZINC000155057270 326776356 /nfs/dbraw/zinc/77/63/56/326776356.db2.gz SDGNPADGTNWSSK-LJQANCHMSA-N 0 3 370.497 2.434 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]1C(=O)NC)c1ccsc1 ZINC000155811650 326806198 /nfs/dbraw/zinc/80/61/98/326806198.db2.gz RIQLNVQRMRNNNV-HUUCEWRRSA-N 0 3 352.504 2.051 10 0 FEAEHN CNC(=O)CCN(C)C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000170783135 327098955 /nfs/dbraw/zinc/09/89/55/327098955.db2.gz VYYAPJPBHQZQJN-LJQANCHMSA-N 0 3 356.466 2.221 10 0 FEAEHN Cc1ccc(C(=O)NCCC(=O)N[C@H](CN(C)C)c2ccccc2)c(O)c1 ZINC000170826073 327100693 /nfs/dbraw/zinc/10/06/93/327100693.db2.gz LGQGODOHXUSAKE-GOSISDBHSA-N 0 3 369.465 2.240 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)NCCOc2cccc(Br)c2)C1 ZINC000170833037 327101320 /nfs/dbraw/zinc/10/13/20/327101320.db2.gz QGWNYUIZOBVBBN-ZDUSSCGKSA-N 0 3 356.264 2.173 10 0 FEAEHN CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)cc1Cl ZINC000170844759 327102140 /nfs/dbraw/zinc/10/21/40/327102140.db2.gz IFMLMDFHYRDIAD-CYBMUJFWSA-N 0 3 353.850 2.228 10 0 FEAEHN COc1ccc([C@H](CNC(=O)N2CC[C@@H](N(C)C)C2)N2CCCC2)cc1 ZINC000170862279 327103215 /nfs/dbraw/zinc/10/32/15/327103215.db2.gz MAVINDGWSHYQFR-MJGOQNOKSA-N 0 3 360.502 2.178 10 0 FEAEHN Cc1nc(C[C@H]2CCCN(C(=O)N[C@H](CC(C)C)CN(C)C)C2)no1 ZINC000170896372 327106067 /nfs/dbraw/zinc/10/60/67/327106067.db2.gz YVURLVKISRIOIV-HZPDHXFCSA-N 0 3 351.495 2.318 10 0 FEAEHN O=C(NCCCCN1CCN(c2ccccc2)CC1)N[C@@H]1CCCC[C@@H]1O ZINC000170899675 327106390 /nfs/dbraw/zinc/10/63/90/327106390.db2.gz WVOOPVAIGSYHQI-UXHICEINSA-N 0 3 374.529 2.192 10 0 FEAEHN COc1ccc([C@H]2CCCN2C(=O)CN2CCN3CCC[C@@H]3C2)cc1OC ZINC000170958823 327110195 /nfs/dbraw/zinc/11/01/95/327110195.db2.gz QMUGMSPLBLNMBK-QZTJIDSGSA-N 0 3 373.497 2.147 10 0 FEAEHN O=C(CN1CCN2CCC[C@@H]2C1)N[C@@H](c1nccs1)c1ccccc1 ZINC000170987713 327111090 /nfs/dbraw/zinc/11/10/90/327111090.db2.gz ROYUBRKLPCEQQC-SJLPKXTDSA-N 0 3 356.495 2.129 10 0 FEAEHN CC(C)n1ccnc1CS(=O)(=O)C(C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000171675146 327154185 /nfs/dbraw/zinc/15/41/85/327154185.db2.gz VODNHCSVHAOXOU-QLFBSQMISA-N 0 3 355.504 2.272 10 0 FEAEHN O=C(Nc1cccc(-c2nnc3n2CCC3)c1)N1CCN2CCC[C@@H]2C1 ZINC000171807372 327162648 /nfs/dbraw/zinc/16/26/48/327162648.db2.gz RZASJCXRHCMDQD-MRXNPFEDSA-N 0 3 352.442 2.203 10 0 FEAEHN O=C(NCC1(c2ccc(F)cc2)CCOCC1)N1CCN2CCC[C@@H]2C1 ZINC000171904055 327169026 /nfs/dbraw/zinc/16/90/26/327169026.db2.gz DZMQJQKPUUVKCF-GOSISDBHSA-N 0 3 361.461 2.364 10 0 FEAEHN Cn1ncc2c1ncnc2NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000171986634 327174647 /nfs/dbraw/zinc/17/46/47/327174647.db2.gz MOWKNNZAOAKOOX-SFHVURJKSA-N 0 3 366.469 2.221 10 0 FEAEHN CC(C)(C)OC(=O)NC1CCC(NC(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000172511555 327204753 /nfs/dbraw/zinc/20/47/53/327204753.db2.gz FSWSTKAKCADSCE-UYSNPLJNSA-N 0 3 366.506 2.312 10 0 FEAEHN Cc1ccc(N2CCCN(C[C@H](O)COCc3ccccc3F)CC2)nn1 ZINC000172841047 327221953 /nfs/dbraw/zinc/22/19/53/327221953.db2.gz OANOOJWSGLDOKH-SFHVURJKSA-N 0 3 374.460 2.014 10 0 FEAEHN CN(C)C[C@H](NC(=O)c1cn(Cc2cccs2)nn1)c1ccccc1 ZINC000173142730 327237500 /nfs/dbraw/zinc/23/75/00/327237500.db2.gz SABAAMQXAIBODG-INIZCTEOSA-N 0 3 355.467 2.421 10 0 FEAEHN COCCCN1CCC(NC(=O)N[C@H](C)COCc2ccccc2)CC1 ZINC000173178226 327239196 /nfs/dbraw/zinc/23/91/96/327239196.db2.gz IZHPQSXQIHREDA-QGZVFWFLSA-N 0 3 363.502 2.392 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)CCO1 ZINC000173215723 327241819 /nfs/dbraw/zinc/24/18/19/327241819.db2.gz UQWMBQOQPMAOME-HNNXBMFYSA-N 0 3 364.877 2.336 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)CCO1 ZINC000173215708 327241958 /nfs/dbraw/zinc/24/19/58/327241958.db2.gz UQWMBQOQPMAOME-OAHLLOKOSA-N 0 3 364.877 2.336 10 0 FEAEHN C[C@H](NC(=O)NC[C@H](O)CN1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000173454633 327258318 /nfs/dbraw/zinc/25/83/18/327258318.db2.gz DJEVXGXRMTZTTQ-LPHOPBHVSA-N 0 3 371.485 2.079 10 0 FEAEHN CC(C)c1nn(C)c2sc(C(=O)N3CCO[C@@H](CN(C)C)C3)cc12 ZINC000173521610 327263431 /nfs/dbraw/zinc/26/34/31/327263431.db2.gz GMCTVAONORKDTR-LBPRGKRZSA-N 0 3 350.488 2.161 10 0 FEAEHN COc1ccc(-c2ncc(C(=O)N3CCO[C@H](CN(C)C)C3)s2)cc1 ZINC000173522224 327263757 /nfs/dbraw/zinc/26/37/57/327263757.db2.gz HNZLYTDUVMSJCZ-OAHLLOKOSA-N 0 3 361.467 2.221 10 0 FEAEHN COc1ccc(-c2ncc(C(=O)N3CCO[C@@H](CN(C)C)C3)s2)cc1 ZINC000173522240 327263824 /nfs/dbraw/zinc/26/38/24/327263824.db2.gz HNZLYTDUVMSJCZ-HNNXBMFYSA-N 0 3 361.467 2.221 10 0 FEAEHN CCN(CC)C(=O)[C@@H](C)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000173646312 327273396 /nfs/dbraw/zinc/27/33/96/327273396.db2.gz IXVOXROXYWRSJN-CVEARBPZSA-N 0 3 353.532 2.276 10 0 FEAEHN CN(C)c1cc(CNC(=O)N2CCN3CCC[C@@H]3C2)c2ccccc2n1 ZINC000173660348 327274645 /nfs/dbraw/zinc/27/46/45/327274645.db2.gz BNMSWGAWPILSPW-MRXNPFEDSA-N 0 3 353.470 2.290 10 0 FEAEHN C[C@H](NC(C)(C)CNC(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000173909743 327293685 /nfs/dbraw/zinc/29/36/85/327293685.db2.gz MWPBFLLZNRSPRK-PKOBYXMFSA-N 0 3 374.529 2.232 10 0 FEAEHN Cc1ccccc1NC(=O)CCN1CCCN(Cc2cnn(C)c2)CC1 ZINC000174784356 327350816 /nfs/dbraw/zinc/35/08/16/327350816.db2.gz FHLQAMCQBXDTTG-UHFFFAOYSA-N 0 3 355.486 2.265 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc(C(=O)N2CCCC2)n1 ZINC000175021390 327368636 /nfs/dbraw/zinc/36/86/36/327368636.db2.gz CIUMQRBCYHHPLM-HZPDHXFCSA-N 0 3 356.470 2.016 10 0 FEAEHN O=C(CCN1CCN(c2ccccc2)CC1)N1CCC(c2cc[nH]n2)CC1 ZINC000175066644 327372073 /nfs/dbraw/zinc/37/20/73/327372073.db2.gz ILMKWHZJUWHEOD-UHFFFAOYSA-N 0 3 367.497 2.328 10 0 FEAEHN CSC[C@@H](C)NC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000175087280 327373050 /nfs/dbraw/zinc/37/30/50/327373050.db2.gz WRJLWTDCWSVUIV-CRAIPNDOSA-N 0 3 365.543 2.483 10 0 FEAEHN CC[C@H](COC)NC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000175178598 327378370 /nfs/dbraw/zinc/37/83/70/327378370.db2.gz FOZYAOGGRMBQEL-MOPGFXCFSA-N 0 3 363.502 2.156 10 0 FEAEHN Cc1ccc(-c2noc(CCCN3CCO[C@H](CN(C)C)C3)n2)cc1F ZINC000175204783 327379852 /nfs/dbraw/zinc/37/98/52/327379852.db2.gz VPFNODJPKLPEEO-MRXNPFEDSA-N 0 3 362.449 2.379 10 0 FEAEHN Cc1ccc(CNC(=O)C2CCN(C[C@H](O)COC(C)(C)C)CC2)cc1 ZINC000175317164 327386740 /nfs/dbraw/zinc/38/67/40/327386740.db2.gz WEQGXFSXVWIOCY-IBGZPJMESA-N 0 3 362.514 2.499 10 0 FEAEHN CCN1CCC[C@H]1CN(C)CC(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000175337433 327387948 /nfs/dbraw/zinc/38/79/48/327387948.db2.gz SRJNLRJSBBVJJW-HOTGVXAUSA-N 0 3 363.502 2.297 10 0 FEAEHN CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CCCn4ncnc43)cc2)CC1 ZINC000177567508 327530948 /nfs/dbraw/zinc/53/09/48/327530948.db2.gz LKOAJNCMHFDCIF-GOSISDBHSA-N 0 3 368.485 2.073 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000246392487 328613981 /nfs/dbraw/zinc/61/39/81/328613981.db2.gz ISJKLFHUAINQSH-NCXUSEDFSA-N 0 3 368.566 2.246 10 0 FEAEHN C[C@@H](NC(=O)CN1CCO[C@@H](CN(C)C)C1)c1ccc(Cl)cc1Cl ZINC000246767146 328644434 /nfs/dbraw/zinc/64/44/34/328644434.db2.gz YMEOPBMMKBQQJT-OCCSQVGLSA-N 0 3 374.312 2.433 10 0 FEAEHN CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)[C@H](N)C1CCOCC1)O[C@H](C)C2 ZINC000261618446 328805910 /nfs/dbraw/zinc/80/59/10/328805910.db2.gz BYHGIXPCIBPLAZ-DFTPQRALSA-N 0 3 374.481 2.135 10 0 FEAEHN CN1C(=O)C[C@@H](C(=O)Nc2ccc3c(c2F)CCNC3)[C@H]1c1cccnc1 ZINC000261717048 328814401 /nfs/dbraw/zinc/81/44/01/328814401.db2.gz LEPJUGVSBHCLPX-DNVCBOLYSA-N 0 3 368.412 2.025 10 0 FEAEHN CC(C)CC(=O)Nc1ccc(-c2nc([C@H]3CNCCN3C)no2)cc1F ZINC000263193576 328923939 /nfs/dbraw/zinc/92/39/39/328923939.db2.gz IEIYJEIRBSGBHJ-OAHLLOKOSA-N 0 3 361.421 2.436 10 0 FEAEHN Cc1cc(CSc2ncccc2-c2nc([C@@H]3CNCCN3C)no2)no1 ZINC000263263903 328929101 /nfs/dbraw/zinc/92/91/01/328929101.db2.gz RGYSGYMZCPGUDH-AWEZNQCLSA-N 0 3 372.454 2.296 10 0 FEAEHN C[C@@H]1CN(c2ccc(C(=O)N3C[C@@H]4CCCN4C[C@H]3C)cn2)C[C@@H](C)O1 ZINC000247557629 549356310 /nfs/dbraw/zinc/35/63/10/549356310.db2.gz ZTKUMZVGOUYZSY-KONPQCLYSA-N 0 3 358.486 2.004 10 0 FEAEHN C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000155425032 545523755 /nfs/dbraw/zinc/52/37/55/545523755.db2.gz UTCVJFMMNYVLRE-CZUORRHYSA-N 0 3 369.303 2.417 10 0 FEAEHN C[C@@H]1CN(Cc2ccccc2)CCCN1c1nn2c(nccc2=O)s1 ZINC000156843899 545668658 /nfs/dbraw/zinc/66/86/58/545668658.db2.gz WQHUJZUQBQRHHH-CQSZACIVSA-N 0 3 355.467 2.252 10 0 FEAEHN O=C1CCCN1C[C@H](O)CN(Cc1cccc(Br)c1)C1CC1 ZINC000171883080 546229082 /nfs/dbraw/zinc/22/90/82/546229082.db2.gz ORFYOBRRXKEXGW-INIZCTEOSA-N 0 3 367.287 2.397 10 0 FEAEHN CC[C@H]1CN(C(=O)NC[C@@H](c2cccs2)N(C)C)CCN1CCOC ZINC000172320808 546247018 /nfs/dbraw/zinc/24/70/18/546247018.db2.gz DXAJSNXCPNLEST-HOTGVXAUSA-N 0 3 368.547 2.103 10 0 FEAEHN CCN1CCC[C@H]1CNC(=O)N1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000175386025 546309559 /nfs/dbraw/zinc/30/95/59/546309559.db2.gz MDBLRMKZWNLOQE-INIZCTEOSA-N 0 3 371.485 2.452 10 0 FEAEHN O=C(NC1CCN(Cc2ccccc2)CC1)N[C@H]1CCCn2ncnc21 ZINC000176832193 546494288 /nfs/dbraw/zinc/49/42/88/546494288.db2.gz PIMKIGRATGTLCV-KRWDZBQOSA-N 0 3 354.458 2.077 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(F)ccc1OC(C)C ZINC000176902510 546504812 /nfs/dbraw/zinc/50/48/12/546504812.db2.gz GINWMMYXTGNMGK-HNNXBMFYSA-N 0 3 365.449 2.494 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C[C@H](NC(C)=O)c1c(F)cccc1F ZINC000176982239 546518269 /nfs/dbraw/zinc/51/82/69/546518269.db2.gz NSZGAMPGNGNDPC-YOEHRIQHSA-N 0 3 367.440 2.475 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(I)c[nH]1 ZINC000177014852 546524199 /nfs/dbraw/zinc/52/41/99/546524199.db2.gz AVYIMOVIYBCINR-LLVKDONJSA-N 0 3 361.227 2.176 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000177034407 546527872 /nfs/dbraw/zinc/52/78/72/546527872.db2.gz XRFKFSUXSVPEOU-QFBILLFUSA-N 0 3 363.477 2.142 10 0 FEAEHN CCOCCN1CCN(CCC(=O)Nc2cc(N)ccc2F)C[C@@H]1CC ZINC000177055127 546533495 /nfs/dbraw/zinc/53/34/95/546533495.db2.gz YGJIALVXQMGZKJ-INIZCTEOSA-N 0 3 366.481 2.169 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(C)c(OCC(=O)OC)c(C)c1 ZINC000177211704 546571247 /nfs/dbraw/zinc/57/12/47/546571247.db2.gz LTSCTYKTKDJWTH-QGZVFWFLSA-N 0 3 362.470 2.412 10 0 FEAEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177434405 546618082 /nfs/dbraw/zinc/61/80/82/546618082.db2.gz FQWIVTUBGIFHGA-RTBURBONSA-N 0 3 355.486 2.230 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000178289652 546770917 /nfs/dbraw/zinc/77/09/17/546770917.db2.gz GROIALURYIZNKQ-SJLPKXTDSA-N 0 3 354.454 2.296 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(OCc2ccccc2)nc1 ZINC000178508427 546805070 /nfs/dbraw/zinc/80/50/70/546805070.db2.gz GWRNGHBZESIREA-IBGZPJMESA-N 0 3 369.465 2.237 10 0 FEAEHN COCCO[C@H]1CCCN(C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000179359433 546939118 /nfs/dbraw/zinc/93/91/18/546939118.db2.gz PUSRMMPPBPXGAT-ROUUACIJSA-N 0 3 357.878 2.345 10 0 FEAEHN CC[C@@H]1CN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CCN1CCOC ZINC000179481068 546961790 /nfs/dbraw/zinc/96/17/90/546961790.db2.gz HHTUBKYNQPBJJJ-VAMGGRTRSA-N 0 3 374.529 2.184 10 0 FEAEHN COc1cc(C)cc(C(=O)N(C)C2CCN(CCn3cccn3)CC2)c1O ZINC000179557645 546976422 /nfs/dbraw/zinc/97/64/22/546976422.db2.gz ANBNVAPJXNRSPD-UHFFFAOYSA-N 0 3 372.469 2.142 10 0 FEAEHN CCc1nn(C)cc1C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000180332981 547086334 /nfs/dbraw/zinc/08/63/34/547086334.db2.gz TXALJRVXHKSTPX-HXUWFJFHSA-N 0 3 370.497 2.158 10 0 FEAEHN C[C@@H](N[C@H]1CCc2ncnn2C1)c1ccc(OCc2nccn2C)cc1 ZINC000180600217 547139118 /nfs/dbraw/zinc/13/91/18/547139118.db2.gz HCFWQISNBOAVNM-ZBFHGGJFSA-N 0 3 352.442 2.256 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@H](C)c1cccc(N3CCOC3=O)c1)CC2 ZINC000180632641 547146087 /nfs/dbraw/zinc/14/60/87/547146087.db2.gz XLNJHKJIBZEWQS-UKRRQHHQSA-N 0 3 355.442 2.463 10 0 FEAEHN CC(C)(NC[C@H](O)CN1C(=O)c2ccccc2C1=O)c1ccc(F)c(F)c1 ZINC000180856299 547194900 /nfs/dbraw/zinc/19/49/00/547194900.db2.gz WVBHILQIXFHXFF-ZDUSSCGKSA-N 0 3 374.387 2.447 10 0 FEAEHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)N[C@H]1COc2ccccc21 ZINC000181595586 547342207 /nfs/dbraw/zinc/34/22/07/547342207.db2.gz QELFXGGSGFYCIU-HKUYNNGSSA-N 0 3 367.449 2.186 10 0 FEAEHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000181692500 547361536 /nfs/dbraw/zinc/36/15/36/547361536.db2.gz JRJYFBHHDHDHMI-BXUZGUMPSA-N 0 3 358.408 2.472 10 0 FEAEHN O=C(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)c1ccc(F)cn1 ZINC000183393246 547649713 /nfs/dbraw/zinc/64/97/13/547649713.db2.gz ROURKMMPOCMAMX-LJQANCHMSA-N 0 3 357.429 2.396 10 0 FEAEHN CCO[C@@H]1C[C@H](N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)C12CCOCC2 ZINC000185003370 547915631 /nfs/dbraw/zinc/91/56/31/547915631.db2.gz JGLDDBLZSYGLEW-YESZJQIVSA-N 0 3 366.889 2.300 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000185813172 548038666 /nfs/dbraw/zinc/03/86/66/548038666.db2.gz PTUVWDAHMAODGH-QPIRBTGLSA-N 0 3 362.518 2.487 10 0 FEAEHN CCO[C@H]1C[C@@H]([NH2+]CCCNC(=O)c2cccc([O-])c2)C12CCOCC2 ZINC000186307322 548115937 /nfs/dbraw/zinc/11/59/37/548115937.db2.gz UEPILKFUUSPYMT-MSOLQXFVSA-N 0 3 362.470 2.076 10 0 FEAEHN Cn1cc(CN2CCCN(Cc3ccc4c(c3)CCC(=O)N4C)CC2)cn1 ZINC000186945268 548226640 /nfs/dbraw/zinc/22/66/40/548226640.db2.gz RXJKANYAJWCEKQ-UHFFFAOYSA-N 0 3 367.497 2.037 10 0 FEAEHN CCN1CC[C@@H](NC(=O)[C@H]2C[C@H](F)CN2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188995515 548293175 /nfs/dbraw/zinc/29/31/75/548293175.db2.gz UWVSFKKZQNGWJG-SRMUXQRQSA-N 0 3 357.832 2.431 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000190337546 548322728 /nfs/dbraw/zinc/32/27/28/548322728.db2.gz HPCXKIIPDPRUAM-DLBZAZTESA-N 0 3 357.454 2.221 10 0 FEAEHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCCNC(=O)[C@H]1C ZINC000191560390 548346313 /nfs/dbraw/zinc/34/63/13/548346313.db2.gz CNIQZSUBAOQNFP-AEFFLSMTSA-N 0 3 360.502 2.063 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)C1 ZINC000194175987 548445291 /nfs/dbraw/zinc/44/52/91/548445291.db2.gz DLCOWODCIHQOLA-FUHWJXTLSA-N 0 3 364.534 2.151 10 0 FEAEHN COCCN1CCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000194526431 548494055 /nfs/dbraw/zinc/49/40/55/548494055.db2.gz PNHLRNPSLLOUPS-HXUWFJFHSA-N 0 3 374.529 2.015 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(CC(=O)NC(C2CC2)C2CC2)C1 ZINC000195292385 548614912 /nfs/dbraw/zinc/61/49/12/548614912.db2.gz XMJPCHNQIZBOCP-KRWDZBQOSA-N 0 3 356.514 2.140 10 0 FEAEHN CC(C)CN(C(=O)CN1CC[C@H](CN(C)Cc2cccnc2)C1)C1CC1 ZINC000195296684 548615974 /nfs/dbraw/zinc/61/59/74/548615974.db2.gz DQIQZHUJXISYCQ-LJQANCHMSA-N 0 3 358.530 2.482 10 0 FEAEHN C[C@@H]1CN(CCN(C)C[C@H](O)COCc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000195323234 548624938 /nfs/dbraw/zinc/62/49/38/548624938.db2.gz GDDJNVHXHPCESK-FCEWJHQRSA-N 0 3 370.921 2.259 10 0 FEAEHN O=C(c1cn(-c2ccccc2C(F)(F)F)nn1)N1CCN2CCC[C@@H]2C1 ZINC000195329866 548625239 /nfs/dbraw/zinc/62/52/39/548625239.db2.gz XCGFDGOJHCKLMR-GFCCVEGCSA-N 0 3 365.359 2.206 10 0 FEAEHN O=C(c1cn(-c2ccccc2C(F)(F)F)nn1)N1CCN2CCC[C@H]2C1 ZINC000195329874 548626295 /nfs/dbraw/zinc/62/62/95/548626295.db2.gz XCGFDGOJHCKLMR-LBPRGKRZSA-N 0 3 365.359 2.206 10 0 FEAEHN COc1ccc(COC[C@H](O)CN2CCC(c3ccnn3C)CC2)cc1 ZINC000195504007 548650366 /nfs/dbraw/zinc/65/03/66/548650366.db2.gz BFWVJYHJQNBKRP-GOSISDBHSA-N 0 3 359.470 2.186 10 0 FEAEHN CCC[C@H](N)C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000236824553 548782080 /nfs/dbraw/zinc/78/20/80/548782080.db2.gz CQIGJOJTBZSMLM-LBPRGKRZSA-N 0 3 360.321 2.282 10 0 FEAEHN COc1ccc(Br)cc1C(=O)CCC(=O)N1CCC[C@@H]1CN ZINC000237109555 548800866 /nfs/dbraw/zinc/80/08/66/548800866.db2.gz NSANPBCVSBOZPO-GFCCVEGCSA-N 0 3 369.259 2.370 10 0 FEAEHN O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)[C@H]1COCCN1 ZINC000238023533 548872349 /nfs/dbraw/zinc/87/23/49/548872349.db2.gz CKQSYIHEWLENLK-OAQYLSRUSA-N 0 3 367.493 2.184 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000245425769 548915961 /nfs/dbraw/zinc/91/59/61/548915961.db2.gz FGWISNTVNHTMPA-MOPGFXCFSA-N 0 3 363.477 2.142 10 0 FEAEHN Cc1nc(COc2cccc(C(=O)N3C[C@H]4CCCN4C[C@H]3C)c2)no1 ZINC000245621683 548959505 /nfs/dbraw/zinc/95/95/05/548959505.db2.gz FJJHUVKLHGVRBJ-CZUORRHYSA-N 0 3 356.426 2.266 10 0 FEAEHN CCCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000245788140 548994435 /nfs/dbraw/zinc/99/44/35/548994435.db2.gz USUAXUWIKAFRJS-CZUORRHYSA-N 0 3 365.449 2.398 10 0 FEAEHN COC(=O)COc1c(C)cc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1C ZINC000245901462 549014160 /nfs/dbraw/zinc/01/41/60/549014160.db2.gz SHIPWKJDSFLRQP-NVXWUHKLSA-N 0 3 360.454 2.164 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000245905875 549015960 /nfs/dbraw/zinc/01/59/60/549015960.db2.gz CDUSFBCHLUNBRB-RHSMWYFYSA-N 0 3 361.490 2.203 10 0 FEAEHN O=C(CN1CCN2CCC[C@H]2C1)NCCc1ccc(OC(F)(F)F)cc1 ZINC000246019218 549038076 /nfs/dbraw/zinc/03/80/76/549038076.db2.gz MCAQXSNQSAXSPV-HNNXBMFYSA-N 0 3 371.403 2.024 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c2cccnc12 ZINC000246277495 549095147 /nfs/dbraw/zinc/09/51/47/549095147.db2.gz BFFQJPJZNFQUHD-RHSMWYFYSA-N 0 3 354.454 2.327 10 0 FEAEHN COc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c2cccnc12 ZINC000246370651 549116604 /nfs/dbraw/zinc/11/66/04/549116604.db2.gz JAYICTBQGNRUTK-XJKSGUPXSA-N 0 3 370.453 2.027 10 0 FEAEHN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2CCN3CCC[C@H]3C2)c1 ZINC000246410723 549127067 /nfs/dbraw/zinc/12/70/67/549127067.db2.gz QSDYAODRDPXZIK-LPHOPBHVSA-N 0 3 373.497 2.147 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2N2CCCCC2)C1 ZINC000246415525 549128751 /nfs/dbraw/zinc/12/87/51/549128751.db2.gz MFWRPXXTMOUOJM-SJLPKXTDSA-N 0 3 372.513 2.460 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000246437754 549133477 /nfs/dbraw/zinc/13/34/77/549133477.db2.gz NEWROUYHBKMUND-WBVHZDCISA-N 0 3 354.458 2.221 10 0 FEAEHN COc1cccc([C@@H](CNC(=O)N2CCN3CCCC[C@H]3C2)N(C)C)c1 ZINC000246568418 549163588 /nfs/dbraw/zinc/16/35/88/549163588.db2.gz ZXROHYIWHWSEAP-PKOBYXMFSA-N 0 3 360.502 2.178 10 0 FEAEHN CCN1CCCC[C@H]1C(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000246727421 549198163 /nfs/dbraw/zinc/19/81/63/549198163.db2.gz GLYWUEMFLIZLDT-DLBZAZTESA-N 0 3 365.543 2.454 10 0 FEAEHN O=C(CN1CCN2CCC[C@H]2C1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000246788479 549213461 /nfs/dbraw/zinc/21/34/61/549213461.db2.gz ZWDQVPRVRIZJQD-KRWDZBQOSA-N 0 3 370.497 2.078 10 0 FEAEHN CS[C@H](CO)[C@H](C)NC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000246875887 549232581 /nfs/dbraw/zinc/23/25/81/549232581.db2.gz JZLDUTXPLLHIQO-CGTJXYLNSA-N 0 3 365.543 2.453 10 0 FEAEHN CC[C@H]1CN(C(=O)NC[C@H](c2ccccc2)N(C)C)CCN1CCOC ZINC000247075128 549278138 /nfs/dbraw/zinc/27/81/38/549278138.db2.gz LBIUSZVWPJTPPL-RBUKOAKNSA-N 0 3 362.518 2.042 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCC(CC(=O)N3CCCC3)CC2)C1 ZINC000247361239 549324970 /nfs/dbraw/zinc/32/49/70/549324970.db2.gz OOEUBMWEBQUKQR-SJLPKXTDSA-N 0 3 364.534 2.149 10 0 FEAEHN CCOCCN1CCN(CCCCN2C(=O)c3ccccc3C2=O)C[C@H]1C ZINC000247584669 549362473 /nfs/dbraw/zinc/36/24/73/549362473.db2.gz IVYRMPIMSMDIOS-QGZVFWFLSA-N 0 3 373.497 2.105 10 0 FEAEHN CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1)CC2 ZINC000248412651 549431464 /nfs/dbraw/zinc/43/14/64/549431464.db2.gz JYKFDQVBYUYFOQ-BZUAXINKSA-N 0 3 362.522 2.136 10 0 FEAEHN CSc1c(F)cc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1F ZINC000248438186 549437252 /nfs/dbraw/zinc/43/72/52/549437252.db2.gz BTVXWINWDFDUOS-IINYFYTJSA-N 0 3 371.453 2.470 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCN([C@H](C)c3nccs3)CC2)C1 ZINC000248773718 549500399 /nfs/dbraw/zinc/50/03/99/549500399.db2.gz YMNVSCNJZPVJBA-HUUCEWRRSA-N 0 3 351.520 2.016 10 0 FEAEHN CC(C)N1CCN(CCCN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)CC1 ZINC000248951260 549531328 /nfs/dbraw/zinc/53/13/28/549531328.db2.gz DCARWOVWYPFSHK-PXNSSMCTSA-N 0 3 367.484 2.489 10 0 FEAEHN CCN(CC)C(=O)[C@H](C)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000249107548 549553858 /nfs/dbraw/zinc/55/38/58/549553858.db2.gz VPHPPJHHPUBNRV-DLBZAZTESA-N 0 3 369.550 2.371 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCCc2ccc(F)cc21 ZINC000249183952 549565996 /nfs/dbraw/zinc/56/59/96/549565996.db2.gz NRLACAMPSJXWPW-SJORKVTESA-N 0 3 359.445 2.190 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000249197497 549568290 /nfs/dbraw/zinc/56/82/90/549568290.db2.gz QHUGXZJLJDRTIB-ZBFHGGJFSA-N 0 3 374.460 2.060 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cnc2ccccc2c1 ZINC000249254099 549573462 /nfs/dbraw/zinc/57/34/62/549573462.db2.gz YFKFDLZAZIVDAR-SJORKVTESA-N 0 3 352.438 2.259 10 0 FEAEHN Cc1cnn([C@@H]2CCCN(CC(=O)NC[C@H](c3ccccc3)N(C)C)C2)c1 ZINC000249379942 549585272 /nfs/dbraw/zinc/58/52/72/549585272.db2.gz ZPVKDPDJZATEPC-WOJBJXKFSA-N 0 3 369.513 2.248 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)C1 ZINC000249613316 549611619 /nfs/dbraw/zinc/61/16/19/549611619.db2.gz JESUJOBIBBVKBZ-IAGOWNOFSA-N 0 3 360.458 2.410 10 0 FEAEHN C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2Br)C[C@H]1N(C)C ZINC000251854540 549655211 /nfs/dbraw/zinc/65/52/11/549655211.db2.gz RUTCUUWJSFSIGU-JOYOIKCWSA-N 0 3 365.268 2.159 10 0 FEAEHN NC1(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)CCOCC1 ZINC000261948597 549772913 /nfs/dbraw/zinc/77/29/13/549772913.db2.gz YQSWGQDSZJYVNT-UHFFFAOYSA-N 0 3 353.394 2.459 10 0 FEAEHN Cc1cc(C)c(N2C[C@H](c3nc([C@H]4CNCCN4C)no3)CC2=O)c(C)c1 ZINC000263228055 549887341 /nfs/dbraw/zinc/88/73/41/549887341.db2.gz NAWIEGSQXAUSJI-HZPDHXFCSA-N 0 3 369.469 2.091 10 0 FEAEHN Ic1cnc(NC[C@H]2NCCc3ccccc32)nc1 ZINC000311505707 553754585 /nfs/dbraw/zinc/75/45/85/553754585.db2.gz ZKUOEGBERUVUAQ-CYBMUJFWSA-N 0 3 366.206 2.380 10 0 FEAEHN C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000374179546 557838137 /nfs/dbraw/zinc/83/81/37/557838137.db2.gz UGXHIHKQTUSQAA-KQVYOXMSSA-N 0 3 352.519 2.178 10 0 FEAEHN CN(Cc1cccc(Cl)c1)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000024947676 670058568 /nfs/dbraw/zinc/05/85/68/670058568.db2.gz ILQAWNCZVPLVRD-HNNXBMFYSA-N 0 3 358.825 2.429 10 0 FEAEHN CC(C)CN1CCO[C@@H](CNC(=O)CN[C@@H](C)c2cccc(Cl)c2)C1 ZINC000154537694 672218449 /nfs/dbraw/zinc/21/84/49/672218449.db2.gz FGFIWHPGHSHDEJ-YJBOKZPZSA-N 0 3 367.921 2.464 10 0 FEAEHN CC(=O)OC1CCN(C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000178978979 672397745 /nfs/dbraw/zinc/39/77/45/672397745.db2.gz FZLFJSMIISWSMJ-CQSZACIVSA-N 0 3 372.259 2.216 10 0 FEAEHN O=C1CCCN1C[C@@H](O)CNC1(c2ccc(Br)cc2)CC1 ZINC000180520338 672414830 /nfs/dbraw/zinc/41/48/30/672414830.db2.gz YKBHJUYRQZLXPD-AWEZNQCLSA-N 0 3 353.260 2.011 10 0 FEAEHN O=S(=O)(NCC1(CN2CCCCC2)CC1)c1ccc2c(c1)OCCO2 ZINC000223554754 672793299 /nfs/dbraw/zinc/79/32/99/672793299.db2.gz GZPXUMVUIKXOAQ-UHFFFAOYSA-N 0 3 366.483 2.002 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 ZINC000236898267 672804677 /nfs/dbraw/zinc/80/46/77/672804677.db2.gz MZXCWTPUEFLXBY-BLLLJJGKSA-N 0 3 355.504 2.337 10 0 FEAEHN Cc1nnc(-c2cccc(NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C)c2)o1 ZINC000076254647 542250902 /nfs/dbraw/zinc/25/09/02/542250902.db2.gz DLBQBOKCQXBYDW-INIZCTEOSA-N 0 3 373.457 2.076 10 0 FEAEHN CCN1CCN(Cc2ccc(CNC(=O)N[C@H](C)[C@@H]3CCCO3)cc2)CC1 ZINC000046121094 540243486 /nfs/dbraw/zinc/24/34/86/540243486.db2.gz VZSJDXBHNMOUHZ-XLIONFOSSA-N 0 3 374.529 2.191 10 0 FEAEHN COc1ccc(F)cc1[C@@H](C)NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000046337136 540252954 /nfs/dbraw/zinc/25/29/54/540252954.db2.gz QLQZRGRGPZALHD-HIFRSBDPSA-N 0 3 353.438 2.041 10 0 FEAEHN CCN(CCCNC(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1 ZINC000049174616 540383373 /nfs/dbraw/zinc/38/33/73/540383373.db2.gz CEAGDNNCQJPKFX-LJQANCHMSA-N 0 3 362.518 2.049 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(C)cc2OCC(=O)N(C)C)C1 ZINC000056752873 540742713 /nfs/dbraw/zinc/74/27/13/540742713.db2.gz ZINQQLDOCKHVID-OAHLLOKOSA-N 0 3 362.474 2.068 10 0 FEAEHN CCCC[C@@H](NC(N)=O)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000067360661 541449023 /nfs/dbraw/zinc/44/90/23/541449023.db2.gz FSBPNKRZHFQCNI-QZTJIDSGSA-N 0 3 360.502 2.384 10 0 FEAEHN CCCN1Cc2cccc(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)c2C1 ZINC000067531365 541475523 /nfs/dbraw/zinc/47/55/23/541475523.db2.gz DNUUTWCSZBDMAO-QGZVFWFLSA-N 0 3 374.529 2.443 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000068223434 541565956 /nfs/dbraw/zinc/56/59/56/541565956.db2.gz VWZOIAPFAQHCSC-OAHLLOKOSA-N 0 3 360.433 2.078 10 0 FEAEHN O=S1(=O)CC[C@@H](NCCSc2ccc(Br)cc2)C1 ZINC000050107484 205178750 /nfs/dbraw/zinc/17/87/50/205178750.db2.gz YCSFMQNCMGXMLD-LLVKDONJSA-N 0 3 350.303 2.318 10 0 FEAEHN CCc1ccccc1CN1CCN(C)[C@]2(C1)CCC(=O)N(CCOC)CC2 ZINC000108021353 206027121 /nfs/dbraw/zinc/02/71/21/206027121.db2.gz NUULGBOIFDPPCN-JOCHJYFZSA-N 0 3 373.541 2.394 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000247411113 549330202 /nfs/dbraw/zinc/33/02/02/549330202.db2.gz QBZDKFKELWDCJN-ZBFHGGJFSA-N 0 3 358.438 2.116 10 0 FEAEHN Cc1c(NC(=O)NCCN2CCC[C@H](C(N)=O)C2)cccc1-n1cccc1 ZINC000096152440 542993854 /nfs/dbraw/zinc/99/38/54/542993854.db2.gz ZGSDLSRTQLCILC-INIZCTEOSA-N 0 3 369.469 2.105 10 0 FEAEHN C[C@@H](NC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000105146269 543161686 /nfs/dbraw/zinc/16/16/86/543161686.db2.gz DHPFCBRYTQLOPH-QUCCMNQESA-N 0 3 374.529 2.013 10 0 FEAEHN O[C@H](COc1ccc(Cl)cc1)CN1CCCN(c2cccnn2)CC1 ZINC000106069856 543188006 /nfs/dbraw/zinc/18/80/06/543188006.db2.gz LDSXWXBLACYXGD-INIZCTEOSA-N 0 3 362.861 2.082 10 0 FEAEHN Cc1ccc(OC[C@H](O)CN(C)[C@@H]2CCCN(c3cccnn3)C2)c(C)c1 ZINC000106075012 543190039 /nfs/dbraw/zinc/19/00/39/543190039.db2.gz MCHBGKZZUKZFQV-RTBURBONSA-N 0 3 370.497 2.434 10 0 FEAEHN CC[C@H]1CN(CCC(=O)Nc2cccc(Cl)c2)CCN1C[C@@H](C)O ZINC000106102767 543196993 /nfs/dbraw/zinc/19/69/93/543196993.db2.gz ZHXXRLZWGNLNSU-PBHICJAKSA-N 0 3 353.894 2.446 10 0 FEAEHN CCN(C(=O)CN(C)C1CCN(CCn2cccn2)CC1)c1ccccc1 ZINC000106129986 543205641 /nfs/dbraw/zinc/20/56/41/543205641.db2.gz PLRYYIZOSIIORG-UHFFFAOYSA-N 0 3 369.513 2.332 10 0 FEAEHN CC[C@@H]1CN(CCC(=O)N2CCc3sccc3C2)CCN1CCOC ZINC000106113099 543201161 /nfs/dbraw/zinc/20/11/61/543201161.db2.gz MZNUQNZNFFKJER-QGZVFWFLSA-N 0 3 365.543 2.066 10 0 FEAEHN Cc1nc(C)n(C[C@H]2CCCN(C[C@H](O)COc3ccc(F)cc3)C2)n1 ZINC000106178859 543213566 /nfs/dbraw/zinc/21/35/66/543213566.db2.gz QDTRAFAEAKSQAS-WMZOPIPTSA-N 0 3 362.449 2.186 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@H]1CCN(c3ccccc3F)C1=O)CC2 ZINC000112345555 543442773 /nfs/dbraw/zinc/44/27/73/543442773.db2.gz UQKMJDKXNKBOLP-ZFWWWQNUSA-N 0 3 357.433 2.251 10 0 FEAEHN C[C@H](N[C@@H]1CCc2ncnn2C1)C(=O)Nc1ccccc1C(F)(F)F ZINC000112550473 543451430 /nfs/dbraw/zinc/45/14/30/543451430.db2.gz SYCGRNVFOHNZMD-WDEREUQCSA-N 0 3 353.348 2.229 10 0 FEAEHN Cc1cccc(NC(=O)CSCC(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1 ZINC000113445063 543488380 /nfs/dbraw/zinc/48/83/80/543488380.db2.gz JNRKCEMNUGBSGD-RDJZCZTQSA-N 0 3 361.511 2.362 10 0 FEAEHN C[C@H](NC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1)c1cccnc1 ZINC000114583922 543524430 /nfs/dbraw/zinc/52/44/30/543524430.db2.gz WFFBAHSDRKTASV-INIZCTEOSA-N 0 3 368.485 2.131 10 0 FEAEHN CCOCCN1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C[C@H]1C ZINC000117275880 543625320 /nfs/dbraw/zinc/62/53/20/543625320.db2.gz OKNUTHRSXPGJIK-QUCCMNQESA-N 0 3 359.514 2.220 10 0 FEAEHN COc1cccc([C@H](CNC(=O)N2CCN3CCC[C@H]3C2)N2CCCC2)c1 ZINC000247487467 549342289 /nfs/dbraw/zinc/34/22/89/549342289.db2.gz KYFHTPQNVBEEEH-ICSRJNTNSA-N 0 3 372.513 2.322 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000247489723 549342434 /nfs/dbraw/zinc/34/24/34/549342434.db2.gz WUEZYZIKIBFAFZ-IRXDYDNUSA-N 0 3 360.502 2.400 10 0 FEAEHN Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H](N(C)C)C2)ccc1Br ZINC000124022385 543796895 /nfs/dbraw/zinc/79/68/95/543796895.db2.gz WNSBEATYCXUTIA-SMDDNHRTSA-N 0 3 361.305 2.328 10 0 FEAEHN CN1C(=O)C[C@@H](C(=O)NC2CCN(C3CC3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000127405263 543990753 /nfs/dbraw/zinc/99/07/53/543990753.db2.gz OEVYRQORVNGAOG-MJGOQNOKSA-N 0 3 359.445 2.088 10 0 FEAEHN CC(C)c1csc([C@H]2CCCN(CCCN3C(=O)CNC3=O)C2)n1 ZINC000127684426 544008331 /nfs/dbraw/zinc/00/83/31/544008331.db2.gz TUPJNGZBWDRJFV-ZDUSSCGKSA-N 0 3 350.488 2.388 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(F)c1F ZINC000129259839 544101144 /nfs/dbraw/zinc/10/11/44/544101144.db2.gz YDUCDMPLZHQDFE-LLVKDONJSA-N 0 3 357.376 2.279 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000134178113 544297313 /nfs/dbraw/zinc/29/73/13/544297313.db2.gz ZYRAODYGPBDRJY-KRWDZBQOSA-N 0 3 372.513 2.161 10 0 FEAEHN Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000150783993 544470187 /nfs/dbraw/zinc/47/01/87/544470187.db2.gz BPLLBKSVELZOEC-LPHOPBHVSA-N 0 3 372.513 2.379 10 0 FEAEHN CC(C)N(C)c1cccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000150799084 544473788 /nfs/dbraw/zinc/47/37/88/544473788.db2.gz MYTNUCTWEKSEQE-QAPCUYQASA-N 0 3 360.502 2.315 10 0 FEAEHN O[C@@H](COCc1ccccc1)CN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000151062239 544501462 /nfs/dbraw/zinc/50/14/62/544501462.db2.gz XKSMIJKOHDALML-RTBURBONSA-N 0 3 366.465 2.486 10 0 FEAEHN CCN(CC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1)C1CC1 ZINC000153174456 544742639 /nfs/dbraw/zinc/74/26/39/544742639.db2.gz NGYVCNFGDUAEHJ-HXUWFJFHSA-N 0 3 359.514 2.033 10 0 FEAEHN CCOCCN1CCN(C[C@H](O)COc2cccc(C)c2)C[C@H]1CC ZINC000155101177 544989386 /nfs/dbraw/zinc/98/93/86/544989386.db2.gz QBBHXCCMJTWUQF-MOPGFXCFSA-N 0 3 350.503 2.167 10 0 FEAEHN O[C@@H](COCc1ccc(Cl)cc1)CN1CCC[C@@H](n2cncn2)C1 ZINC000247539357 549352791 /nfs/dbraw/zinc/35/27/91/549352791.db2.gz CWFDNNHZYMZGPI-IAGOWNOFSA-N 0 3 350.850 2.146 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)C1 ZINC000180461601 327686752 /nfs/dbraw/zinc/68/67/52/327686752.db2.gz OOXORZSINORDKN-GFCCVEGCSA-N 0 3 369.412 2.243 10 0 FEAEHN CC(C)c1nnc2n1C[C@@H](N[C@@H](C)c1ccc(-n3cnnn3)cc1)CC2 ZINC000180499104 327688562 /nfs/dbraw/zinc/68/85/62/327688562.db2.gz OCOUUKLOKNARAU-ZFWWWQNUSA-N 0 3 352.446 2.043 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](NCc1ccc3c(c1)CCC(=O)N3C)CC2 ZINC000187219267 328009627 /nfs/dbraw/zinc/00/96/27/328009627.db2.gz MMALZYFPTVOWSG-INIZCTEOSA-N 0 3 353.470 2.415 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](NCc1ccc3c(c1)CCC(=O)N3C)CC2 ZINC000187219247 328009689 /nfs/dbraw/zinc/00/96/89/328009689.db2.gz MMALZYFPTVOWSG-MRXNPFEDSA-N 0 3 353.470 2.415 10 0 FEAEHN CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCCO[C@H]3C)cc2)CC1 ZINC000188736021 328107456 /nfs/dbraw/zinc/10/74/56/328107456.db2.gz LTDKNKAJUXODQS-FXAWDEMLSA-N 0 3 359.514 2.255 10 0 FEAEHN CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCCO[C@@H]3C)cc2)CC1 ZINC000188735977 328107575 /nfs/dbraw/zinc/10/75/75/328107575.db2.gz LTDKNKAJUXODQS-YLJYHZDGSA-N 0 3 359.514 2.255 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000189002052 328122641 /nfs/dbraw/zinc/12/26/41/328122641.db2.gz KHPHFCDQWCGTOL-RHSMWYFYSA-N 0 3 361.490 2.029 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](NCc1cnn(Cc3ccc(F)cc3)c1)CC2 ZINC000189166105 328132549 /nfs/dbraw/zinc/13/25/49/328132549.db2.gz OICCGRJIUVHDBE-KRWDZBQOSA-N 0 3 354.433 2.329 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000190343685 328201504 /nfs/dbraw/zinc/20/15/04/328201504.db2.gz NAUSEBDNIXKZIP-IAGOWNOFSA-N 0 3 368.437 2.365 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc2cccnc21 ZINC000190348194 328201752 /nfs/dbraw/zinc/20/17/52/328201752.db2.gz IKDIOAJNKSUEEP-HZPDHXFCSA-N 0 3 352.438 2.259 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC(O)(c3c(F)cccc3F)CC2)C1 ZINC000190392641 328205082 /nfs/dbraw/zinc/20/50/82/328205082.db2.gz IONOTRLJQOFAQJ-AWEZNQCLSA-N 0 3 367.440 2.442 10 0 FEAEHN CC(=O)Nc1nc(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)cs1 ZINC000190587983 328218222 /nfs/dbraw/zinc/21/82/22/328218222.db2.gz BEWNXBPZDGTBSZ-OAHLLOKOSA-N 0 3 373.482 2.091 10 0 FEAEHN Cc1n[nH]cc1CCCNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190677211 328224213 /nfs/dbraw/zinc/22/42/13/328224213.db2.gz MJINGUASANOAJA-SFHVURJKSA-N 0 3 370.501 2.209 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)NCc2c[nH]nc2C)C1 ZINC000190695398 328225384 /nfs/dbraw/zinc/22/53/84/328225384.db2.gz JLJWIHSSFFMYHX-CQSZACIVSA-N 0 3 362.503 2.147 10 0 FEAEHN CC(C)N(C)c1ccc(CNC[C@H](O)CN2CCc3ccccc3C2)cn1 ZINC000190751793 328230081 /nfs/dbraw/zinc/23/00/81/328230081.db2.gz BADBEMDSDMXGOZ-NRFANRHFSA-N 0 3 368.525 2.435 10 0 FEAEHN CCS(=O)(=O)CCCCCN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000191040998 328246865 /nfs/dbraw/zinc/24/68/65/328246865.db2.gz TYDLFVRFFLTWBQ-AWEZNQCLSA-N 0 3 361.529 2.346 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C(=O)OC)cc1N(C)C ZINC000191209785 328254136 /nfs/dbraw/zinc/25/41/36/328254136.db2.gz VVIBSUVSBKYJKC-OAHLLOKOSA-N 0 3 362.474 2.487 10 0 FEAEHN Cc1cc([N-]C(=O)C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)on1 ZINC000191905329 328287871 /nfs/dbraw/zinc/28/78/71/328287871.db2.gz JCYGNHXSPYVAMA-QWHCGFSZSA-N 0 3 352.435 2.205 10 0 FEAEHN Cc1cc(NC(=O)CN[C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)on1 ZINC000191905329 328287872 /nfs/dbraw/zinc/28/78/72/328287872.db2.gz JCYGNHXSPYVAMA-QWHCGFSZSA-N 0 3 352.435 2.205 10 0 FEAEHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000192802306 328340655 /nfs/dbraw/zinc/34/06/55/328340655.db2.gz LABACSDDMNXLLE-NSHDSACASA-N 0 3 364.895 2.366 10 0 FEAEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)C1CCC(O)CC1 ZINC000194387090 328422043 /nfs/dbraw/zinc/42/20/43/328422043.db2.gz HIXLVZWROLIJKN-CBNMVNINSA-N 0 3 374.525 2.442 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC000237025767 328501819 /nfs/dbraw/zinc/50/18/19/328501819.db2.gz XIUQYNDHZFYXDX-DNVCBOLYSA-N 0 3 358.486 2.285 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)NC[C@@H](C)N1CCOCC1)c1ccsc1 ZINC000077792919 325016832 /nfs/dbraw/zinc/01/68/32/325016832.db2.gz CEIPSJGAJCFPMF-NVXWUHKLSA-N 0 3 368.547 2.151 10 0 FEAEHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@H](C)[C@H]2CCCO2)CC1 ZINC000079217929 325081649 /nfs/dbraw/zinc/08/16/49/325081649.db2.gz HOYQFHACBZCRKW-YLJYHZDGSA-N 0 3 374.529 2.191 10 0 FEAEHN CCn1ccnc1CS(=O)(=O)C(C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000083066859 325212643 /nfs/dbraw/zinc/21/26/43/325212643.db2.gz OKENFWFCGBHOHF-CHWSQXEVSA-N 0 3 367.446 2.223 10 0 FEAEHN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000083749737 325224717 /nfs/dbraw/zinc/22/47/17/325224717.db2.gz KVKQYBDYQOHSRP-KRWDZBQOSA-N 0 3 374.464 2.334 10 0 FEAEHN CCn1cc(C2CCN(CCC(=O)Nc3ccc(C(N)=O)cc3)CC2)cn1 ZINC000103473277 325520221 /nfs/dbraw/zinc/52/02/21/325520221.db2.gz BRMOQTHHVNIDJK-UHFFFAOYSA-N 0 3 369.469 2.210 10 0 FEAEHN CN(C(=O)c1cc2c(s1)CCOC2)C1CCN(CCn2cccn2)CC1 ZINC000109292211 325663780 /nfs/dbraw/zinc/66/37/80/325663780.db2.gz BNRYHAAPRXZQAI-UHFFFAOYSA-N 0 3 374.510 2.254 10 0 FEAEHN CCc1nn(C)c(Cl)c1CNC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000116339639 326008614 /nfs/dbraw/zinc/00/86/14/326008614.db2.gz NJYAKNUMTVCPLX-GFCCVEGCSA-N 0 3 363.897 2.226 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CCO1 ZINC000116784036 326035112 /nfs/dbraw/zinc/03/51/12/326035112.db2.gz FAZRQIZXHVIAPR-IBGZPJMESA-N 0 3 367.449 2.342 10 0 FEAEHN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000116790868 326035587 /nfs/dbraw/zinc/03/55/87/326035587.db2.gz XRPLIAAWVZDYMN-QWHCGFSZSA-N 0 3 360.376 2.262 10 0 FEAEHN CCOCCN1CCN(C(=O)NC[C@@H](c2ccco2)N(C)C)C[C@H]1CC ZINC000117024792 326047683 /nfs/dbraw/zinc/04/76/83/326047683.db2.gz AIIKLLFZBCSNKX-SJORKVTESA-N 0 3 366.506 2.025 10 0 FEAEHN CC[C@H]1CN(C(=O)NCc2cccc(CN(C)C)c2)CCN1CCOC ZINC000117479536 326062952 /nfs/dbraw/zinc/06/29/52/326062952.db2.gz KVESLMOLWFHWDJ-IBGZPJMESA-N 0 3 362.518 2.000 10 0 FEAEHN Cc1cnn(CCNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c1 ZINC000118067880 326078897 /nfs/dbraw/zinc/07/88/97/326078897.db2.gz JNORWBGMWIDONN-INIZCTEOSA-N 0 3 361.515 2.464 10 0 FEAEHN CCC[C@H](C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1)N(C)C ZINC000119379502 326155782 /nfs/dbraw/zinc/15/57/82/326155782.db2.gz XLWCLGLZSBQPJU-QGZVFWFLSA-N 0 3 369.531 2.062 10 0 FEAEHN Cc1nc(-c2cccc(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)c2)no1 ZINC000120113798 326231479 /nfs/dbraw/zinc/23/14/79/326231479.db2.gz ARLRMKASTMEOSJ-MRXNPFEDSA-N 0 3 373.457 2.076 10 0 FEAEHN C[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)O1 ZINC000246014636 328583981 /nfs/dbraw/zinc/58/39/81/328583981.db2.gz LPYUMAQYPKTUJJ-QYZOEREBSA-N 0 3 372.513 2.010 10 0 FEAEHN O=C(NC[C@@H](O)CN1CCCCC1)Nc1ccccc1OCC(F)F ZINC000120209180 326241131 /nfs/dbraw/zinc/24/11/31/326241131.db2.gz HCHDRYLSQJRKMY-CYBMUJFWSA-N 0 3 357.401 2.299 10 0 FEAEHN CN(Cc1ccccc1N1CCOCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000120246032 326243577 /nfs/dbraw/zinc/24/35/77/326243577.db2.gz IOYCZYPZOCIWJR-LJQANCHMSA-N 0 3 367.497 2.414 10 0 FEAEHN Cc1cc(C)n2c(CN(C)C3CCN(CCn4cccn4)CC3)cnc2n1 ZINC000121214122 326322355 /nfs/dbraw/zinc/32/23/55/326322355.db2.gz JGZIGNUXPMFQMT-UHFFFAOYSA-N 0 3 367.501 2.139 10 0 FEAEHN C[C@H](NC(=O)N1CCN(CCC(C)(C)C)CC1)c1nnc2n1CCCC2 ZINC000121406099 326336409 /nfs/dbraw/zinc/33/64/09/326336409.db2.gz VOYUJXLLBZOBMO-HNNXBMFYSA-N 0 3 362.522 2.439 10 0 FEAEHN CCC[C@H](C(=O)NCCNC(=O)c1cccc(Br)c1)N(C)C ZINC000129511626 326541740 /nfs/dbraw/zinc/54/17/40/326541740.db2.gz OPZVLHRVZCUQFE-CQSZACIVSA-N 0 3 370.291 2.025 10 0 FEAEHN Cc1ccn(-c2ccccc2NC(=O)NC[C@H](O)CN2CCCCC2)n1 ZINC000151197855 326676931 /nfs/dbraw/zinc/67/69/31/326676931.db2.gz ZRBLRVZIBJLJNF-INIZCTEOSA-N 0 3 357.458 2.149 10 0 FEAEHN CN(C)Cc1cccc(CNC(=O)N2CCC(Nc3cccnn3)CC2)c1 ZINC000153636838 326738359 /nfs/dbraw/zinc/73/83/59/326738359.db2.gz WVNCPPOLFHJLAX-UHFFFAOYSA-N 0 3 368.485 2.324 10 0 FEAEHN CCC[C@H](C(=O)NC[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1)N(C)C ZINC000153864224 326744885 /nfs/dbraw/zinc/74/48/85/326744885.db2.gz UEWSNSVZNDECGF-HNAYVOBHSA-N 0 3 363.502 2.377 10 0 FEAEHN CC[C@@H]1CN(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)CCN1C[C@@H](C)O ZINC000163385831 327050285 /nfs/dbraw/zinc/05/02/85/327050285.db2.gz OGAJXSNDYZDPBA-GDBMZVCRSA-N 0 3 372.469 2.003 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(COCc3ccco3)c2)C1 ZINC000170844192 327102257 /nfs/dbraw/zinc/10/22/57/327102257.db2.gz OKSBARXQCXUTDD-QGZVFWFLSA-N 0 3 371.437 2.097 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)c2ccccc2SCC(=O)N2CCCC2)C1 ZINC000170862314 327103319 /nfs/dbraw/zinc/10/33/19/327103319.db2.gz OSXBCDZPAOLIPQ-HNNXBMFYSA-N 0 3 361.511 2.177 10 0 FEAEHN CN(C(=O)c1ccco1)c1ccccc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000170982691 327110921 /nfs/dbraw/zinc/11/09/21/327110921.db2.gz HUZBBSYWHUQANE-OAHLLOKOSA-N 0 3 353.422 2.476 10 0 FEAEHN Cc1cccc(NC[C@H]2CCN(CCN3C(=O)c4ccccc4C3=O)C2)n1 ZINC000171653512 327152215 /nfs/dbraw/zinc/15/22/15/327152215.db2.gz PKGMVYHMCLBTGS-MRXNPFEDSA-N 0 3 364.449 2.420 10 0 FEAEHN COc1cccc([C@H](CNC(=O)N2CCN3CCC[C@@H]3C2)N2CCCC2)c1 ZINC000171898171 327168355 /nfs/dbraw/zinc/16/83/55/327168355.db2.gz KYFHTPQNVBEEEH-QUCCMNQESA-N 0 3 372.513 2.322 10 0 FEAEHN CCN(CC)C(=O)c1ccc(CNC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000171900419 327168602 /nfs/dbraw/zinc/16/86/02/327168602.db2.gz BWIGCZGVIKEKFQ-GOSISDBHSA-N 0 3 358.486 2.158 10 0 FEAEHN CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000171907930 327169514 /nfs/dbraw/zinc/16/95/14/327169514.db2.gz ZTRIBTMBILLUDW-HZPDHXFCSA-N 0 3 366.506 2.123 10 0 FEAEHN C[C@@H](NC(=O)N1CCO[C@H](CN(C)C)C1)c1ccc(Br)cc1 ZINC000172115385 327181718 /nfs/dbraw/zinc/18/17/18/327181718.db2.gz PJDSROJOFIGMSA-IUODEOHRSA-N 0 3 370.291 2.482 10 0 FEAEHN Cc1cc(=O)oc2cc(OCCN3CCC[C@H](n4cncn4)C3)ccc12 ZINC000172655115 327213654 /nfs/dbraw/zinc/21/36/54/327213654.db2.gz VRMJZWZPTFVOJW-HNNXBMFYSA-N 0 3 354.410 2.409 10 0 FEAEHN CC[C@@H](C)CS(=O)(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000172662643 327213923 /nfs/dbraw/zinc/21/39/23/327213923.db2.gz PFYZRWVBCMRMNW-APWZRJJASA-N 0 3 368.543 2.398 10 0 FEAEHN COCCN1CCC[C@@H]1CNC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173173915 327239100 /nfs/dbraw/zinc/23/91/00/327239100.db2.gz PWVZMORYMCWFBG-VQIMIIECSA-N 0 3 371.485 2.343 10 0 FEAEHN C[C@H](CNC(=O)NC[C@H](O)CN1CCCCC1)Sc1ccccc1 ZINC000173313095 327249012 /nfs/dbraw/zinc/24/90/12/327249012.db2.gz DRPOFVCENMTHST-CVEARBPZSA-N 0 3 351.516 2.313 10 0 FEAEHN CCc1nc2n(n1)C[C@H](NC(=O)c1oc3ccccc3c1CN(C)C)CC2 ZINC000173609824 327270909 /nfs/dbraw/zinc/27/09/09/327270909.db2.gz FYTYBAJIVTVTDR-CYBMUJFWSA-N 0 3 367.453 2.393 10 0 FEAEHN CCC[C@@H](CCO)CNCc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000173848670 327288576 /nfs/dbraw/zinc/28/85/76/327288576.db2.gz UCJIFDKRGZXFPP-INIZCTEOSA-N 0 3 352.523 2.268 10 0 FEAEHN CNc1cc(N2CCC[C@H]2CN[C@@H](C)C(=O)NC2CCC(C)CC2)ncn1 ZINC000174285070 327317021 /nfs/dbraw/zinc/31/70/21/327317021.db2.gz DXGAOPXSHJOXGV-XGHPGWEVSA-N 0 3 374.533 2.160 10 0 FEAEHN CNc1cc(N2CCC[C@@H]2CN[C@H](C)C(=O)Nc2cccc(F)c2)ncn1 ZINC000174287040 327317313 /nfs/dbraw/zinc/31/73/13/327317313.db2.gz LAUYAWAQYSTRCY-CZUORRHYSA-N 0 3 372.448 2.243 10 0 FEAEHN CCOC(=O)c1ccsc1NC(=O)CN(C)C[C@H]1CCCN1CC ZINC000175353781 327388702 /nfs/dbraw/zinc/38/87/02/327388702.db2.gz YSAALYJFKZFEDJ-CYBMUJFWSA-N 0 3 353.488 2.279 10 0 FEAEHN NC(=O)c1ccccc1Oc1ccc(NC(=O)[C@@H](N)C2CCOCC2)cc1 ZINC000261913413 328828945 /nfs/dbraw/zinc/82/89/45/328828945.db2.gz XWEFBLNBGRQVGD-SFHVURJKSA-N 0 3 369.421 2.270 10 0 FEAEHN Cc1c(-c2nc([C@H]3CNCCN3C)no2)cnn1-c1ccccc1Cl ZINC000263186964 328923402 /nfs/dbraw/zinc/92/34/02/328923402.db2.gz HKXIJZJJBVXJHJ-OAHLLOKOSA-N 0 3 358.833 2.460 10 0 FEAEHN Cc1c(-c2nc([C@H]3CNCCN3C)no2)cnn1-c1cccc(Cl)c1 ZINC000263303471 328931578 /nfs/dbraw/zinc/93/15/78/328931578.db2.gz XKOWFXHTOQVYHX-OAHLLOKOSA-N 0 3 358.833 2.460 10 0 FEAEHN CCCNc1ccccc1C(=O)N1CCC[C@@H](Cn2cc(CN)nn2)C1 ZINC000020600654 520175761 /nfs/dbraw/zinc/17/57/61/520175761.db2.gz JJXZOYABXQGKDS-OAHLLOKOSA-N 0 3 356.474 2.111 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC000155369824 545518974 /nfs/dbraw/zinc/51/89/74/545518974.db2.gz VKQUCRKREHARRP-QRQLOZEOSA-N 0 3 357.498 2.384 10 0 FEAEHN C[C@H]1CN(Cc2ccccc2)CCCN1c1nn2c(nccc2=O)s1 ZINC000156844038 545668567 /nfs/dbraw/zinc/66/85/67/545668567.db2.gz WQHUJZUQBQRHHH-AWEZNQCLSA-N 0 3 355.467 2.252 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCN(C)Cc1ccccc1)CC2 ZINC000157488501 545746055 /nfs/dbraw/zinc/74/60/55/545746055.db2.gz AOQMHRTXRQUJKN-QGZVFWFLSA-N 0 3 370.501 2.148 10 0 FEAEHN CC(C)(C)OC[C@H](O)CN1CCC(C(=O)NCCc2cccs2)CC1 ZINC000157948930 545803105 /nfs/dbraw/zinc/80/31/05/545803105.db2.gz RLCXWEUAAOUTOE-MRXNPFEDSA-N 0 3 368.543 2.295 10 0 FEAEHN OC[C@H]1CCCN1c1cc(NCCc2nc3ccc(F)cc3[nH]2)ncn1 ZINC000158990855 545912726 /nfs/dbraw/zinc/91/27/26/545912726.db2.gz IUNCCAWFGPPEFO-CYBMUJFWSA-N 0 3 356.405 2.108 10 0 FEAEHN COc1ccc(CCC(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000159158079 545927674 /nfs/dbraw/zinc/92/76/74/545927674.db2.gz LCMRJYBLTKUMLF-FQEVSTJZSA-N 0 3 368.477 2.163 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)CSc2nncn2-c2cccc(Cl)c2)C1 ZINC000170867927 546181014 /nfs/dbraw/zinc/18/10/14/546181014.db2.gz DRLWLDYETMBZBM-CQSZACIVSA-N 0 3 365.890 2.175 10 0 FEAEHN CCCCS(=O)(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000175842909 546360469 /nfs/dbraw/zinc/36/04/69/546360469.db2.gz DWXWHUIMMHSKTH-LJQANCHMSA-N 0 3 368.543 2.494 10 0 FEAEHN CCCS(=O)(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000175843021 546360702 /nfs/dbraw/zinc/36/07/02/546360702.db2.gz WHXOZDFOBUTZFX-SFHVURJKSA-N 0 3 354.516 2.104 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000176305586 546430133 /nfs/dbraw/zinc/43/01/33/546430133.db2.gz CUFOYEXIXGDJMD-GOSISDBHSA-N 0 3 374.485 2.107 10 0 FEAEHN O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)N1CCN2CCC[C@@H]2C1 ZINC000176478130 546451710 /nfs/dbraw/zinc/45/17/10/546451710.db2.gz XPSNMTBSZNSXLC-UONOGXRCSA-N 0 3 350.413 2.033 10 0 FEAEHN COc1ccc(Cl)cc1NC(=O)CCNC(=O)N1CC[C@@H](N(C)C)C1 ZINC000176629840 546470509 /nfs/dbraw/zinc/47/05/09/546470509.db2.gz CYEKGCOVLKHWIU-CYBMUJFWSA-N 0 3 368.865 2.023 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(OC)c2ncccc12 ZINC000176896757 546502429 /nfs/dbraw/zinc/50/24/29/546502429.db2.gz NHZZSSPDKHSYRC-AWEZNQCLSA-N 0 3 370.453 2.125 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(OC(C)C)cc1F ZINC000176904176 546504962 /nfs/dbraw/zinc/50/49/62/546504962.db2.gz UZAWSTVALLRTST-AWEZNQCLSA-N 0 3 365.449 2.494 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2ccc(N3CCSCC3)cc2)CCO1 ZINC000177170280 546560935 /nfs/dbraw/zinc/56/09/35/546560935.db2.gz FJCMTGPKIVWGGT-KRWDZBQOSA-N 0 3 364.515 2.034 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(C)c(OCC(=O)OC)c(C)c1 ZINC000177211718 546571326 /nfs/dbraw/zinc/57/13/26/546571326.db2.gz LTSCTYKTKDJWTH-KRWDZBQOSA-N 0 3 362.470 2.412 10 0 FEAEHN O=C(NC[C@H]1CCCN1Cc1ccccc1)N[C@@H]1CCCn2ncnc21 ZINC000177308131 546591037 /nfs/dbraw/zinc/59/10/37/546591037.db2.gz GCWSXYMJCGURBH-IAGOWNOFSA-N 0 3 354.458 2.077 10 0 FEAEHN O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@@H]1CCCn2ncnc21 ZINC000177350442 546599372 /nfs/dbraw/zinc/59/93/72/546599372.db2.gz AIQGTOIEXWATAS-IAGOWNOFSA-N 0 3 354.458 2.249 10 0 FEAEHN CCCOc1ccc(Cl)cc1NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177698144 546669896 /nfs/dbraw/zinc/66/98/96/546669896.db2.gz OMCDQGGHCKZSRS-AWEZNQCLSA-N 0 3 365.861 2.374 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000178303163 546771787 /nfs/dbraw/zinc/77/17/87/546771787.db2.gz ICTZUUJTFZZHIO-BHYGNILZSA-N 0 3 361.490 2.060 10 0 FEAEHN COc1ccccc1CN(C)C(=O)CN1CCC[C@H]1Cn1ccnc1C ZINC000178320980 546774073 /nfs/dbraw/zinc/77/40/73/546774073.db2.gz XBYLCARKJHUIHS-SFHVURJKSA-N 0 3 356.470 2.323 10 0 FEAEHN CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1CCN2CCC[C@@H]2C1 ZINC000178636912 546824840 /nfs/dbraw/zinc/82/48/40/546824840.db2.gz RECOUTHWXRVZLN-OAHLLOKOSA-N 0 3 353.413 2.026 10 0 FEAEHN CC(C)Oc1cccc(C(=O)N(C)C2CCN(CCn3cccn3)CC2)n1 ZINC000179067166 546895568 /nfs/dbraw/zinc/89/55/68/546895568.db2.gz VMGISOAEIWZYPD-UHFFFAOYSA-N 0 3 371.485 2.302 10 0 FEAEHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)c1nnc2n1CCCC2 ZINC000179201109 546912878 /nfs/dbraw/zinc/91/28/78/546912878.db2.gz WWDORFXRRBQGHK-QILLFSRXSA-N 0 3 368.485 2.420 10 0 FEAEHN COc1ccc(C[C@@H](C)CNC(=O)N2CCN3CCC[C@@H]3C2)cc1OC ZINC000179654174 546993341 /nfs/dbraw/zinc/99/33/41/546993341.db2.gz PSRPCYHBVCWXLQ-NVXWUHKLSA-N 0 3 361.486 2.372 10 0 FEAEHN C[C@@H](NC[C@H]1CN(C)CCO1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180496092 547118936 /nfs/dbraw/zinc/11/89/36/547118936.db2.gz QAZQLMYSUOPWDY-WBVHZDCISA-N 0 3 366.527 2.384 10 0 FEAEHN CC(C)c1nnc2n1C[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)CC2 ZINC000180515271 547122468 /nfs/dbraw/zinc/12/24/68/547122468.db2.gz ATLQDYCOALAXNR-HIFRSBDPSA-N 0 3 362.499 2.471 10 0 FEAEHN C[C@H](N[C@H]1CCCN(c2cnn(C)c2)C1=O)c1cccc(-n2ccnc2)c1 ZINC000180653408 547151276 /nfs/dbraw/zinc/15/12/76/547151276.db2.gz QAYMDIUUVBEKQW-KXBFYZLASA-N 0 3 364.453 2.452 10 0 FEAEHN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000181305564 547290777 /nfs/dbraw/zinc/29/07/77/547290777.db2.gz JAVBLBXEJGERQM-YOEHRIQHSA-N 0 3 356.474 2.241 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCOC2(CCOCC2)C1 ZINC000181328836 547295026 /nfs/dbraw/zinc/29/50/26/547295026.db2.gz XYVIYBMLRHCAQS-KRWDZBQOSA-N 0 3 361.486 2.098 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(c2nncn2C)CC1 ZINC000181342837 547297273 /nfs/dbraw/zinc/29/72/73/547297273.db2.gz KONSVIWJKMLKLT-INIZCTEOSA-N 0 3 370.501 2.225 10 0 FEAEHN CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@H](c1ccccc1)N(C)C)CC2 ZINC000181389606 547306191 /nfs/dbraw/zinc/30/61/91/547306191.db2.gz ZVSKDHYZYQQVPJ-IAGOWNOFSA-N 0 3 370.501 2.318 10 0 FEAEHN CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000182278709 547465776 /nfs/dbraw/zinc/46/57/76/547465776.db2.gz NVCZGSTZEHEMFT-GJZGRUSLSA-N 0 3 364.456 2.386 10 0 FEAEHN CC(C)n1nnnc1-c1ccc(NC(=O)N2CCN3CCC[C@@H]3C2)cc1F ZINC000182410781 547488661 /nfs/dbraw/zinc/48/86/61/547488661.db2.gz PHTSNWVHHHUJKM-CQSZACIVSA-N 0 3 373.436 2.372 10 0 FEAEHN C[C@H](NC(=O)NCc1ccccc1CN1CCC[C@@H]1CO)[C@@H]1CCCO1 ZINC000182577520 547516564 /nfs/dbraw/zinc/51/65/64/547516564.db2.gz ILUVTCHYTODTMD-IPELMVKDSA-N 0 3 361.486 2.010 10 0 FEAEHN CC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1Cl ZINC000182828382 547558459 /nfs/dbraw/zinc/55/84/59/547558459.db2.gz FOOBMOWJPAWIKL-ZBEGNZNMSA-N 0 3 365.861 2.326 10 0 FEAEHN C[C@H](NCC(=O)NCCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCO1 ZINC000183157262 547612144 /nfs/dbraw/zinc/61/21/44/547612144.db2.gz KWAVFDZHDCADGA-WFASDCNBSA-N 0 3 360.376 2.401 10 0 FEAEHN COc1ccccc1S(=O)(=O)CCCN1C[C@H]2CCCN2C[C@@H]1C ZINC000184215722 547788608 /nfs/dbraw/zinc/78/86/08/547788608.db2.gz VUVOWYAYNUQDEM-JKSUJKDBSA-N 0 3 352.500 2.028 10 0 FEAEHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000184410423 547822939 /nfs/dbraw/zinc/82/29/39/547822939.db2.gz WIUIEJOEMUWMJS-BMFZPTHFSA-N 0 3 351.441 2.211 10 0 FEAEHN CN(C)C[C@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)CCO1 ZINC000184968878 547909307 /nfs/dbraw/zinc/90/93/07/547909307.db2.gz CHCPITAURSXKIP-LBPRGKRZSA-N 0 3 353.264 2.088 10 0 FEAEHN CN(C)C[C@H]1CN(Cc2nc3ccc(Br)cc3[nH]2)CCO1 ZINC000184968878 547909308 /nfs/dbraw/zinc/90/93/08/547909308.db2.gz CHCPITAURSXKIP-LBPRGKRZSA-N 0 3 353.264 2.088 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cnn(C2CCCC2)c1C ZINC000194162764 548442986 /nfs/dbraw/zinc/44/29/86/548442986.db2.gz WHCBPXSIADUPRG-DOTOQJQBSA-N 0 3 373.501 2.330 10 0 FEAEHN O=C(COc1cccc(NC(=O)c2ccco2)c1)N1CCN2CCC[C@@H]2C1 ZINC000195330381 548626169 /nfs/dbraw/zinc/62/61/69/548626169.db2.gz JIYNDBMCOQWIIZ-MRXNPFEDSA-N 0 3 369.421 2.217 10 0 FEAEHN COc1cccc(COC[C@H](O)CN2CCC(c3ccnn3C)CC2)c1 ZINC000195512771 548653226 /nfs/dbraw/zinc/65/32/26/548653226.db2.gz XIQJEJHCGXWAPC-GOSISDBHSA-N 0 3 359.470 2.186 10 0 FEAEHN O=c1cc(Br)ccn1C[C@H](O)CN1CCc2ccccc2C1 ZINC000218267135 548686585 /nfs/dbraw/zinc/68/65/85/548686585.db2.gz XOHCAXDWAZILDN-MRXNPFEDSA-N 0 3 363.255 2.030 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O ZINC000245438263 548919728 /nfs/dbraw/zinc/91/97/28/548919728.db2.gz XQXOETHJHVEJRO-QAPCUYQASA-N 0 3 371.481 2.250 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245675523 548971453 /nfs/dbraw/zinc/97/14/53/548971453.db2.gz SZLWCSDOFDHVCZ-XNJGSVPQSA-N 0 3 367.852 2.161 10 0 FEAEHN CCC[C@H](C(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1)N(C)C ZINC000245759486 548989970 /nfs/dbraw/zinc/98/99/70/548989970.db2.gz IEVGZJLBPHWTAV-XHSDSOJGSA-N 0 3 353.532 2.356 10 0 FEAEHN C[C@H](CN(C)Cc1ccccc1)Nc1cc(N2CCC[C@H]2CO)ncn1 ZINC000245844094 549002434 /nfs/dbraw/zinc/00/24/34/549002434.db2.gz KOBJAHBQCIHGPP-AEFFLSMTSA-N 0 3 355.486 2.370 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000245895090 549013062 /nfs/dbraw/zinc/01/30/62/549013062.db2.gz MWWJLJBPYRPMNM-FUHWJXTLSA-N 0 3 356.474 2.145 10 0 FEAEHN CCOCCN1CCN(C[C@@H](O)COc2cc(C)cc(C)c2)C[C@@H]1CC ZINC000246207358 549078240 /nfs/dbraw/zinc/07/82/40/549078240.db2.gz AEWVYXRFVUVRIV-VQTJNVASSA-N 0 3 364.530 2.476 10 0 FEAEHN C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCN2CCCC[C@H]2C1 ZINC000246218658 549081578 /nfs/dbraw/zinc/08/15/78/549081578.db2.gz QADQJLSYFPWSHZ-ZBFHGGJFSA-N 0 3 353.474 2.429 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(F)cc2OC(F)F)C1 ZINC000246300677 549099579 /nfs/dbraw/zinc/09/95/79/549099579.db2.gz DADPAXMPGFFOES-GXFFZTMASA-N 0 3 373.375 2.211 10 0 FEAEHN CC(C)COC[C@H](O)CN(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000246389232 549121432 /nfs/dbraw/zinc/12/14/32/549121432.db2.gz PDJDZNLISPWXLF-IAGOWNOFSA-N 0 3 356.532 2.087 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1OC(F)F ZINC000246406342 549126694 /nfs/dbraw/zinc/12/66/94/549126694.db2.gz LQMAOFZQHAOLRU-OCCSQVGLSA-N 0 3 369.412 2.380 10 0 FEAEHN CCC(CC)[C@H](CNC(=O)N1CCN2CCCC[C@H]2C1)N1CCOCC1 ZINC000246419306 549129474 /nfs/dbraw/zinc/12/94/74/549129474.db2.gz LVZNQCHNEFADQK-OALUTQOASA-N 0 3 366.550 2.003 10 0 FEAEHN COCCN1CCN(C[C@H](O)CO[C@H]2CCCc3ccccc32)C[C@@H]1C ZINC000246576284 549165217 /nfs/dbraw/zinc/16/52/17/549165217.db2.gz RWPLUIIPNYZIMS-CUWPLCDZSA-N 0 3 362.514 2.094 10 0 FEAEHN Cc1ccc(C)c(OC[C@H](O)CN2C[C@@H](C)[C@H](N3CCOCC3)C2)c1C ZINC000246605195 549172796 /nfs/dbraw/zinc/17/27/96/549172796.db2.gz XTFSLJSXEMFMIC-MISYRCLQSA-N 0 3 362.514 2.004 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc(N2CCNC2=O)ccc1F ZINC000246839375 549225748 /nfs/dbraw/zinc/22/57/48/549225748.db2.gz BKMVAYYCVNEYKB-ZFWWWQNUSA-N 0 3 360.433 2.054 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1 ZINC000246880652 549234346 /nfs/dbraw/zinc/23/43/46/549234346.db2.gz FZFPJIKCKMMVJP-HGHGUNKESA-N 0 3 355.482 2.376 10 0 FEAEHN COCCN1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C[C@H]1C ZINC000246938431 549247082 /nfs/dbraw/zinc/24/70/82/549247082.db2.gz CBGZSXMMHDCDOA-UYAOXDASSA-N 0 3 374.529 2.013 10 0 FEAEHN CCN(C[C@H](O)CN1C(=O)c2ccccc2C1=O)[C@H](C)c1cccc(O)c1 ZINC000247071474 549277753 /nfs/dbraw/zinc/27/77/53/549277753.db2.gz OQPGVVUPDIEZHO-PBHICJAKSA-N 0 3 368.433 2.432 10 0 FEAEHN CCOCCN1CCN(C(=O)N[C@H](C)CN2CCCCC2)C[C@@H]1CC ZINC000247260343 549308629 /nfs/dbraw/zinc/30/86/29/549308629.db2.gz YKBGDKPNBYZTIZ-MSOLQXFVSA-N 0 3 354.539 2.003 10 0 FEAEHN CC[C@H]1CN(C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CCN1CCOC ZINC000247738164 549375951 /nfs/dbraw/zinc/37/59/51/549375951.db2.gz NDUGIRQQEJGUPX-RBUKOAKNSA-N 0 3 374.529 2.057 10 0 FEAEHN C[C@H](O)CN1CCN(C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C[C@H]1C ZINC000247777496 549380015 /nfs/dbraw/zinc/38/00/15/549380015.db2.gz RBBSDAZRDKVQAX-ZIFCJYIRSA-N 0 3 364.530 2.111 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2nc3c(s2)CCCCC3)C1 ZINC000248677961 549483313 /nfs/dbraw/zinc/48/33/13/549483313.db2.gz LGIGYHATIAGXLT-GXTWGEPZSA-N 0 3 364.515 2.195 10 0 FEAEHN CC(C)N1CCN(CCCN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)CC1 ZINC000248951262 549530536 /nfs/dbraw/zinc/53/05/36/549530536.db2.gz DCARWOVWYPFSHK-XLIONFOSSA-N 0 3 367.484 2.489 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1OC(F)F ZINC000249182546 549565763 /nfs/dbraw/zinc/56/57/63/549565763.db2.gz NMIUFQIQBIOWAX-PWSUYJOCSA-N 0 3 371.359 2.061 10 0 FEAEHN CN(C[C@H](c1cccs1)N1CCOCC1)C[C@@H](O)CC(F)(F)F ZINC000249498575 549596539 /nfs/dbraw/zinc/59/65/39/549596539.db2.gz WPLDNZWVWCKYGS-QWHCGFSZSA-N 0 3 352.422 2.367 10 0 FEAEHN CCc1csc([C@@H]2CCCN(C[C@H](O)COC[C@H]3CCCO3)C2)n1 ZINC000249856047 549632811 /nfs/dbraw/zinc/63/28/11/549632811.db2.gz DFJAFHGPZQVVMC-HYVNUMGLSA-N 0 3 354.516 2.441 10 0 FEAEHN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)C1 ZINC000251565616 549648487 /nfs/dbraw/zinc/64/84/87/549648487.db2.gz GYHQEBLKTVVAGC-GBESFXJTSA-N 0 3 373.497 2.341 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O ZINC000253542946 549693003 /nfs/dbraw/zinc/69/30/03/549693003.db2.gz ZDEQOWWFWFXSPT-STQMWFEESA-N 0 3 357.454 2.251 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)C1(N)CCOCC1)c1ccccc1Cl ZINC000261657058 549739832 /nfs/dbraw/zinc/73/98/32/549739832.db2.gz AVCHFTJUFAMIHN-MRXNPFEDSA-N 0 3 353.894 2.347 10 0 FEAEHN NC1(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CCOCC1 ZINC000261748502 549751695 /nfs/dbraw/zinc/75/16/95/549751695.db2.gz FBYNNDIDOJKSTE-HNNXBMFYSA-N 0 3 369.868 2.068 10 0 FEAEHN C[C@](N)(C(=O)N1CCN2CCCC[C@H]2C1)c1ccc(Br)cc1 ZINC000261761040 549752667 /nfs/dbraw/zinc/75/26/67/549752667.db2.gz NLWIURXQSRQPFK-DOTOQJQBSA-N 0 3 366.303 2.320 10 0 FEAEHN O=C([C@@H]1CC(F)(F)CN1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000262954786 549865311 /nfs/dbraw/zinc/86/53/11/549865311.db2.gz KCUOYOBIZGFLDB-HKUYNNGSSA-N 0 3 363.452 2.498 10 0 FEAEHN O=C([C@H]1CC(F)(F)CN1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000262954799 549865486 /nfs/dbraw/zinc/86/54/86/549865486.db2.gz KCUOYOBIZGFLDB-MJGOQNOKSA-N 0 3 363.452 2.498 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(CCOc2cccc(Br)c2)n1 ZINC000263155746 549881660 /nfs/dbraw/zinc/88/16/60/549881660.db2.gz DKJGOVPRIDRUBA-CYBMUJFWSA-N 0 3 367.247 2.030 10 0 FEAEHN Cc1ccc(C(=O)N[C@H](c2nc([C@H]3CNCCN3C)no2)C(C)C)cc1 ZINC000263191525 549884662 /nfs/dbraw/zinc/88/46/62/549884662.db2.gz HYEFMAPSPYZSJL-CVEARBPZSA-N 0 3 357.458 2.081 10 0 FEAEHN Cn1cc(-c2nc([C@@H]3CNCCN3C)no2)c(-c2ccccc2Cl)n1 ZINC000263235350 549887947 /nfs/dbraw/zinc/88/79/47/549887947.db2.gz NZBLCYNPENQQNK-AWEZNQCLSA-N 0 3 358.833 2.367 10 0 FEAEHN Cc1ccc(-n2nc(-c3nc([C@@H]4CNCCN4C)no3)c3c2CCC3)cc1 ZINC000263251772 549889701 /nfs/dbraw/zinc/88/97/01/549889701.db2.gz PZHIWAKESGOMBB-KRWDZBQOSA-N 0 3 364.453 2.296 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(CN[C@H](c2ccccc2)C(F)(F)F)n1 ZINC000263261377 549890389 /nfs/dbraw/zinc/89/03/89/549890389.db2.gz QZKDUASXJKLMSJ-TZMCWYRMSA-N 0 3 355.364 2.039 10 0 FEAEHN CCCc1ccc(N2C[C@@H](c3nc([C@@H]4CNCCN4C)no3)CC2=O)cc1 ZINC000263279436 549891305 /nfs/dbraw/zinc/89/13/05/549891305.db2.gz TZKGQUWDNCYIPP-RDJZCZTQSA-N 0 3 369.469 2.119 10 0 FEAEHN C[C@@H](N)C(=O)Nc1ccc(I)cc1Br ZINC000300884543 553617874 /nfs/dbraw/zinc/61/78/74/553617874.db2.gz ARRHGGFOMCNGIB-RXMQYKEDSA-N 0 3 369.000 2.339 10 0 FEAEHN Cc1ccc([C@@H](CNc2cc(N3CCC[C@H]3CO)ncn2)N(C)C)cc1 ZINC000301281517 553638724 /nfs/dbraw/zinc/63/87/24/553638724.db2.gz XURIFCCOHXFFGX-ZWKOTPCHSA-N 0 3 355.486 2.461 10 0 FEAEHN COc1cccc(-c2noc(N3CCC[C@@H]3CN3CCC[C@H]3CO)n2)c1 ZINC000301717023 553673982 /nfs/dbraw/zinc/67/39/82/553673982.db2.gz KNZROURSOGLCCU-CVEARBPZSA-N 0 3 358.442 2.171 10 0 FEAEHN Cc1c([C@H]2[C@H](CNCc3cnc(C4CC4)s3)CC(=O)N2C)cnn1C ZINC000328622173 553797734 /nfs/dbraw/zinc/79/77/34/553797734.db2.gz IFDDZCSRPBMJOM-SUMWQHHRSA-N 0 3 359.499 2.372 10 0 FEAEHN CCN1CCC[C@@H](CN(C)Cc2nnc(C3CC3)n2C)[C@@H]1c1cnn(C)c1 ZINC000328643021 553801332 /nfs/dbraw/zinc/80/13/32/553801332.db2.gz RGQQGKOXDBYFRQ-QFBILLFUSA-N 0 3 371.533 2.331 10 0 FEAEHN CCN1CC[C@H](NC(=O)c2csc(I)c2)C1 ZINC000389818021 558610027 /nfs/dbraw/zinc/61/00/27/558610027.db2.gz MMKLXMMRWSGKGD-VIFPVBQESA-N 0 3 350.225 2.177 10 0 FEAEHN CC[C@@H]1CN(Cn2c3ccc(Cl)cc3oc2=O)CCN1CCOC ZINC000117323940 670914672 /nfs/dbraw/zinc/91/46/72/670914672.db2.gz OBJNNOHDPDDSRE-CQSZACIVSA-N 0 3 353.850 2.248 10 0 FEAEHN CCCN(C(=O)[C@H](C)N[C@@H](C)c1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000125715690 672015645 /nfs/dbraw/zinc/01/56/45/672015645.db2.gz XVOGJQFFJWLVKR-YESZJQIVSA-N 0 3 366.527 2.460 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)C1 ZINC000131767208 672091721 /nfs/dbraw/zinc/09/17/21/672091721.db2.gz NUNSFPBEVGDYKD-GJZGRUSLSA-N 0 3 354.495 2.073 10 0 FEAEHN CCOCCN1CCN(Cn2nc(C3CC3)n(C)c2=S)C[C@H]1CC ZINC000152617603 672184666 /nfs/dbraw/zinc/18/46/66/672184666.db2.gz DPYLHSWWKMMFTH-OAHLLOKOSA-N 0 3 353.536 2.219 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000174237128 672359140 /nfs/dbraw/zinc/35/91/40/672359140.db2.gz IUEBQIDAULEWTJ-LSDHHAIUSA-N 0 3 354.495 2.169 10 0 FEAEHN CCN1CCC[C@H](NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)C1 ZINC000175207744 672365942 /nfs/dbraw/zinc/36/59/42/672365942.db2.gz PZNKLOZANZTPEY-AWEZNQCLSA-N 0 3 360.426 2.038 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000182977437 672457890 /nfs/dbraw/zinc/45/78/90/672457890.db2.gz TXYRRZSQZXFHMA-QWHCGFSZSA-N 0 3 371.434 2.290 10 0 FEAEHN CC(C)N1C[C@H](NS(=O)(=O)C2=Cc3ccccc3OCC2)[C@@H](C)C1 ZINC000184975728 672514495 /nfs/dbraw/zinc/51/44/95/672514495.db2.gz IZEKZIXNFPLEFI-YOEHRIQHSA-N 0 3 350.484 2.458 10 0 FEAEHN C[C@H](CO)[C@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000249377684 672870043 /nfs/dbraw/zinc/87/00/43/672870043.db2.gz UHGOXWKRMYJANT-OCVGTWLNSA-N 0 3 358.404 2.430 10 0 FEAEHN COCCNC(=O)CCC1CCN(Cc2ccc3nsnc3c2)CC1 ZINC000011814961 539535327 /nfs/dbraw/zinc/53/53/27/539535327.db2.gz KBMPBZKPPVJXPH-UHFFFAOYSA-N 0 3 362.499 2.446 10 0 FEAEHN O=C(c1ccn(COc2ccccc2Cl)n1)N1CCN2CCC[C@@H]2C1 ZINC000028234014 539828484 /nfs/dbraw/zinc/82/84/84/539828484.db2.gz XEMWPNRHXLODQN-CQSZACIVSA-N 0 3 360.845 2.493 10 0 FEAEHN CN(C)C[C@@H](NC(=O)CCn1c2ccccc2n(C)c1=O)c1ccccc1 ZINC000029954320 539870025 /nfs/dbraw/zinc/87/00/25/539870025.db2.gz CCMSHFVKVRLOCY-QGZVFWFLSA-N 0 3 366.465 2.149 10 0 FEAEHN C[C@@H](OCCCNC(=O)NC[C@H](O)CN1CCCCC1)c1ccccc1 ZINC000049174652 540383448 /nfs/dbraw/zinc/38/34/48/540383448.db2.gz HKWPSHJPLQEVAS-MJGOQNOKSA-N 0 3 363.502 2.300 10 0 FEAEHN C[C@H](NC(=O)NCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000049305773 540386930 /nfs/dbraw/zinc/38/69/30/540386930.db2.gz XWAGAXVNPRYXIP-ICSRJNTNSA-N 0 3 374.529 2.061 10 0 FEAEHN Cc1ccccc1CN1CCCN(C(=O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000051116989 540422840 /nfs/dbraw/zinc/42/28/40/540422840.db2.gz JRJWHPNKBJHBEA-RTBURBONSA-N 0 3 359.514 2.139 10 0 FEAEHN CN(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1 ZINC000052852887 540494183 /nfs/dbraw/zinc/49/41/83/540494183.db2.gz KPFODUDHZQSVCD-AEFFLSMTSA-N 0 3 355.438 2.047 10 0 FEAEHN CN(C)C[C@H](NC(=O)Nc1cccnc1N1CCOCC1)c1ccccc1 ZINC000054480734 540592150 /nfs/dbraw/zinc/59/21/50/540592150.db2.gz LOTYBCWHXPPXGI-SFHVURJKSA-N 0 3 369.469 2.343 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000057869725 540820665 /nfs/dbraw/zinc/82/06/65/540820665.db2.gz NPMOXARHQCRMGW-GOEBONIOSA-N 0 3 367.515 2.277 10 0 FEAEHN CCCNC(=O)CCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000063463536 541169026 /nfs/dbraw/zinc/16/90/26/541169026.db2.gz PVEJRQJYMZAOBO-SFHVURJKSA-N 0 3 360.502 2.257 10 0 FEAEHN C[C@H](CNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)N1CCOCC1 ZINC000065517324 541242679 /nfs/dbraw/zinc/24/26/79/541242679.db2.gz JNYFTLBAKWTYMY-QUCCMNQESA-N 0 3 374.529 2.061 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CNC(=O)NCc1ccc(Cl)cc1 ZINC000066632178 541350508 /nfs/dbraw/zinc/35/05/08/541350508.db2.gz MFIDXYXMVICHOQ-MRXNPFEDSA-N 0 3 368.909 2.232 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000073722833 541991433 /nfs/dbraw/zinc/99/14/33/541991433.db2.gz IPEZAMSDBUPUHU-SJLPKXTDSA-N 0 3 360.502 2.410 10 0 FEAEHN Cc1ccc(CCN(C[C@H](O)CN2CCCC2=O)C[C@H]2CCCO2)cc1 ZINC000076000015 542223095 /nfs/dbraw/zinc/22/30/95/542223095.db2.gz TWYIWAJYWPSDJG-VQTJNVASSA-N 0 3 360.498 2.002 10 0 FEAEHN O=C(COc1ccccc1CN1CCN2CCCC[C@@H]2C1)NCC1CC1 ZINC000092616148 542875705 /nfs/dbraw/zinc/87/57/05/542875705.db2.gz QIANSXKEOPBBBW-LJQANCHMSA-N 0 3 357.498 2.262 10 0 FEAEHN O=C(CCN1CCO[C@H]2CCCC[C@@H]21)Nc1ccc(N2CCOCC2)cc1 ZINC000103470035 543109516 /nfs/dbraw/zinc/10/95/16/543109516.db2.gz SYOMHMYARWTTGS-PMACEKPBSA-N 0 3 373.497 2.495 10 0 FEAEHN CCOc1ccc(OC[C@@H](O)CN2CCC[C@H](c3nncn3CC)C2)cc1 ZINC000103475463 543110660 /nfs/dbraw/zinc/11/06/60/543110660.db2.gz PFRANBFZQADUGC-IRXDYDNUSA-N 0 3 374.485 2.316 10 0 FEAEHN C[C@H](CNC(=O)N1CCN2CCCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000105149627 543161631 /nfs/dbraw/zinc/16/16/31/543161631.db2.gz FCZCDNIKXZFHAK-YLJYHZDGSA-N 0 3 356.514 2.313 10 0 FEAEHN CCN1CCN(CCCNC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000109086844 543313663 /nfs/dbraw/zinc/31/36/63/543313663.db2.gz PBWISFMCWBTQKH-HOTGVXAUSA-N 0 3 351.441 2.212 10 0 FEAEHN CN(CCCc1cc(-c2ccccc2)no1)C[C@H](O)CN1CCCC1=O ZINC000111686410 543411765 /nfs/dbraw/zinc/41/17/65/543411765.db2.gz ABBUOKNXFCLDSJ-KRWDZBQOSA-N 0 3 357.454 2.189 10 0 FEAEHN Cc1ccc(CN2C[C@H](C(=O)N3C[C@H]4CCCN4C[C@@H]3C)CC2=O)cc1 ZINC000113223560 543477784 /nfs/dbraw/zinc/47/77/84/543477784.db2.gz ZXZMYIXLCXTOGS-QXAKKESOSA-N 0 3 355.482 2.039 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)CCc3ccccc3)CC2)nc1 ZINC000114415664 543514605 /nfs/dbraw/zinc/51/46/05/543514605.db2.gz KVLFITANBILKKV-UHFFFAOYSA-N 0 3 352.482 2.425 10 0 FEAEHN COc1ncccc1C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000115157950 543553338 /nfs/dbraw/zinc/55/33/38/543553338.db2.gz FJJZEEQYIFEAGW-IBGZPJMESA-N 0 3 369.465 2.266 10 0 FEAEHN COCCN1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C[C@@H]1C ZINC000117468491 543632173 /nfs/dbraw/zinc/63/21/73/543632173.db2.gz RZKAKYWYWNORFU-ICSRJNTNSA-N 0 3 374.529 2.186 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)Nc3ccc(F)cn3)CC2)nc1 ZINC000122528891 543708381 /nfs/dbraw/zinc/70/83/81/543708381.db2.gz AWJDDFHVWWTUFI-UHFFFAOYSA-N 0 3 358.421 2.031 10 0 FEAEHN COC(=O)[C@@H]1CCCN(Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000123253775 543751342 /nfs/dbraw/zinc/75/13/42/543751342.db2.gz SQXGDARHFZDUSM-QGZVFWFLSA-N 0 3 360.454 2.073 10 0 FEAEHN C[C@H]1CN2CCCC[C@@H]2CN1c1ncc(I)cn1 ZINC000128001931 544026642 /nfs/dbraw/zinc/02/66/42/544026642.db2.gz CIRRSLAAMJYOLE-CMPLNLGQSA-N 0 3 358.227 2.144 10 0 FEAEHN CN(Cc1ccccc1Br)C(=O)C(C)(C)N1CCNCC1 ZINC000129643364 544121639 /nfs/dbraw/zinc/12/16/39/544121639.db2.gz BDKFPSQYZYBCRO-UHFFFAOYSA-N 0 3 354.292 2.091 10 0 FEAEHN CCC[C@H](C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)N(C)C ZINC000136533433 544373907 /nfs/dbraw/zinc/37/39/07/544373907.db2.gz VQLGRQZDGFGPSN-GOSISDBHSA-N 0 3 360.502 2.053 10 0 FEAEHN CCC[C@@H](C(=O)N1CCN(C(=O)c2ccccc2OCC)CC1)N(C)C ZINC000136575029 544374329 /nfs/dbraw/zinc/37/43/29/544374329.db2.gz KXBSYHPJEFEHNO-KRWDZBQOSA-N 0 3 361.486 2.100 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000150788170 544471880 /nfs/dbraw/zinc/47/18/80/544471880.db2.gz UOAXLNDXRIITGN-RISCZKNCSA-N 0 3 355.385 2.071 10 0 FEAEHN COC(=O)c1cccc([C@H](NC[C@H]2CCCN2CC(C)C)C(=O)OC)c1 ZINC000152014462 544606183 /nfs/dbraw/zinc/60/61/83/544606183.db2.gz PPVXYDVZGCTYSK-MSOLQXFVSA-N 0 3 362.470 2.397 10 0 FEAEHN Cc1ccc(I)cc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000152147847 544619509 /nfs/dbraw/zinc/61/95/09/544619509.db2.gz MHXPFGITSNGWPV-LBPRGKRZSA-N 0 3 358.223 2.376 10 0 FEAEHN C[C@H](NC(=O)N1CCC[C@@H]1CN1CCCCC1)C(=O)N1CCCCC1 ZINC000153418925 544773971 /nfs/dbraw/zinc/77/39/71/544773971.db2.gz KAUYQLGJEBEYBW-DLBZAZTESA-N 0 3 350.507 2.047 10 0 FEAEHN CN(C)C[C@H]1CN(Cc2cc(Br)cc3c2OCC3)CCO1 ZINC000153686041 544809183 /nfs/dbraw/zinc/80/91/83/544809183.db2.gz CFIJLVKHYXZQSS-HNNXBMFYSA-N 0 3 355.276 2.146 10 0 FEAEHN O[C@@H](Cc1ccccc1C(F)(F)F)CN1CC[C@H](N2CCOCC2)C1 ZINC000154385935 544899598 /nfs/dbraw/zinc/89/95/98/544899598.db2.gz RFIZHALBXVGONK-HOTGVXAUSA-N 0 3 358.404 2.015 10 0 FEAEHN C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000154504801 544914230 /nfs/dbraw/zinc/91/42/30/544914230.db2.gz BTPUEUFCHOCZPD-KCQAQPDRSA-N 0 3 365.499 2.076 10 0 FEAEHN COc1cccc(COC[C@@H](O)CN2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000155239883 545004559 /nfs/dbraw/zinc/00/45/59/545004559.db2.gz JLGGUQLNNVYLFY-OALUTQOASA-N 0 3 359.470 2.415 10 0 FEAEHN CCOCCN1CCN(C[C@@H](O)COc2ccccc2C)C[C@H]1CC ZINC000247546437 549354082 /nfs/dbraw/zinc/35/40/82/549354082.db2.gz DMTASUGDJRUSBC-RTBURBONSA-N 0 3 350.503 2.167 10 0 FEAEHN COCOc1ccc(OC)cc1CN[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000179870250 327662989 /nfs/dbraw/zinc/66/29/89/327662989.db2.gz KASNQDIYFXGZJG-OAHLLOKOSA-N 0 3 360.458 2.497 10 0 FEAEHN COc1ccc(C[C@@H](C)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)cc1 ZINC000182354159 327771880 /nfs/dbraw/zinc/77/18/80/327771880.db2.gz NARYLPFXQBRJBN-KDOFPFPSSA-N 0 3 356.470 2.453 10 0 FEAEHN C[C@H](NCC(=O)Nc1cccc(CN2CCSCC2)c1)[C@@H]1CCCO1 ZINC000183144837 327803956 /nfs/dbraw/zinc/80/39/56/327803956.db2.gz DVADCZFDRQADAU-YJBOKZPZSA-N 0 3 363.527 2.331 10 0 FEAEHN CC(C)c1nnc2n1C[C@@H](NCc1ccc3c(c1)CCC(=O)N3C)CC2 ZINC000187177923 328007231 /nfs/dbraw/zinc/00/72/31/328007231.db2.gz UCKGUVMNAHVRCN-INIZCTEOSA-N 0 3 353.470 2.415 10 0 FEAEHN O=C1c2ccccc2C(=O)N1CCCN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188090926 328065302 /nfs/dbraw/zinc/06/53/02/328065302.db2.gz ROPHOQWOOIPAEV-YJBOKZPZSA-N 0 3 370.474 2.442 10 0 FEAEHN Cc1cc(-c2ncccc2NC(=O)C(=O)N2CC[C@H](N(C)C)C2)cs1 ZINC000189463811 328150025 /nfs/dbraw/zinc/15/00/25/328150025.db2.gz VBJAGDGCDSHIJB-AWEZNQCLSA-N 0 3 358.467 2.220 10 0 FEAEHN CCOC(=O)[C@@](C)(CNC(=O)N[C@H]1CCCN(CC)C1)c1ccccc1 ZINC000189733450 328165157 /nfs/dbraw/zinc/16/51/57/328165157.db2.gz HZPOUOLXUQCGCF-PXNSSMCTSA-N 0 3 361.486 2.291 10 0 FEAEHN COc1ccc(Cn2ccc(NC(=O)N3CCN4CCC[C@@H]4C3)n2)cc1 ZINC000189859597 328172092 /nfs/dbraw/zinc/17/20/92/328172092.db2.gz XWXTZFMOMROABN-MRXNPFEDSA-N 0 3 355.442 2.252 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1COCCN1C1CCCC1 ZINC000189918596 328176054 /nfs/dbraw/zinc/17/60/54/328176054.db2.gz FOGFBEOHKSTLHJ-PXNSSMCTSA-N 0 3 359.514 2.267 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000190076743 328186268 /nfs/dbraw/zinc/18/62/68/328186268.db2.gz CLPQWJOSPVTXJW-IUODEOHRSA-N 0 3 368.437 2.339 10 0 FEAEHN CCN(C)C(=O)[C@H](C)NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000190407491 328205744 /nfs/dbraw/zinc/20/57/44/328205744.db2.gz BJPMHPAVKJYPEE-WMZOPIPTSA-N 0 3 360.502 2.207 10 0 FEAEHN CCCCNC(=O)[C@H](C)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190514743 328213075 /nfs/dbraw/zinc/21/30/75/328213075.db2.gz BZSMVUIWYWAZQB-IRXDYDNUSA-N 0 3 369.550 2.419 10 0 FEAEHN C[C@H](Oc1cccnc1)C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190580590 328217591 /nfs/dbraw/zinc/21/75/91/328217591.db2.gz ZOTNQGKOFOWPCV-WMZOPIPTSA-N 0 3 354.454 2.224 10 0 FEAEHN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000190538022 328214776 /nfs/dbraw/zinc/21/47/76/328214776.db2.gz FWDUMHXREDRIDW-QGZVFWFLSA-N 0 3 356.470 2.447 10 0 FEAEHN COc1ncccc1C(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000190553998 328215811 /nfs/dbraw/zinc/21/58/11/328215811.db2.gz UBZIXFCCLMFPBI-CQSZACIVSA-N 0 3 360.483 2.449 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc(NC=O)cc2)C1 ZINC000190604741 328218985 /nfs/dbraw/zinc/21/89/85/328218985.db2.gz HFGPKWLDTVLZJS-QGZVFWFLSA-N 0 3 352.438 2.244 10 0 FEAEHN Cc1noc(C)c1CNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190701669 328225819 /nfs/dbraw/zinc/22/58/19/328225819.db2.gz SPPVWGZCMVCQIP-QGZVFWFLSA-N 0 3 357.458 2.350 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NCCCC(C)(C)CO)C1 ZINC000190718356 328227296 /nfs/dbraw/zinc/22/72/96/328227296.db2.gz HVIKNUWGMRQSHE-SFHVURJKSA-N 0 3 362.518 2.344 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)NCCOC(C)C)C1 ZINC000190733668 328228808 /nfs/dbraw/zinc/22/88/08/328228808.db2.gz FKQWNGYEGCYNAV-HNNXBMFYSA-N 0 3 354.520 2.340 10 0 FEAEHN CCOC(=O)C1CCC(O)(CN(C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC000190927328 328240478 /nfs/dbraw/zinc/24/04/78/328240478.db2.gz RYKHPKOBDXFZRJ-QKJKHRQNSA-N 0 3 367.511 2.340 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@@H]1CCN(c3c(C)cc(C)cc3C)C1=O)CC2 ZINC000190966609 328242605 /nfs/dbraw/zinc/24/26/05/328242605.db2.gz UOJUMBAPHSDHEU-IAGOWNOFSA-N 0 3 367.497 2.476 10 0 FEAEHN COCCN(C)c1ccc(CN2CCC[C@H](Cn3nc(C)nc3C)C2)cn1 ZINC000191341487 328260878 /nfs/dbraw/zinc/26/08/78/328260878.db2.gz ISXFJZMQPWUYRX-IBGZPJMESA-N 0 3 372.517 2.285 10 0 FEAEHN C[C@@H](NC(=O)N1CCC(CN2CCN(C)CC2)CC1)c1cccs1 ZINC000192144488 328302258 /nfs/dbraw/zinc/30/22/58/328302258.db2.gz NWQVKYXXWWIVFW-OAHLLOKOSA-N 0 3 350.532 2.478 10 0 FEAEHN COc1ccc([C@H](C)N(C)C[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000192628711 328329212 /nfs/dbraw/zinc/32/92/12/328329212.db2.gz ONBKYLMJTITBCU-HOCLYGCPSA-N 0 3 368.433 2.345 10 0 FEAEHN COc1ccc([C@@H](C)N(C)C[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000192628729 328329393 /nfs/dbraw/zinc/32/93/93/328329393.db2.gz ONBKYLMJTITBCU-ZBFHGGJFSA-N 0 3 368.433 2.345 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1nc2c(s1)CCCC2 ZINC000193215816 328362956 /nfs/dbraw/zinc/36/29/56/328362956.db2.gz OFORAFZPWUWCLZ-CYBMUJFWSA-N 0 3 364.515 2.197 10 0 FEAEHN COCCc1nsc(N2CC[C@H](CN(C)Cc3scnc3C)C2)n1 ZINC000193383737 328371942 /nfs/dbraw/zinc/37/19/42/328371942.db2.gz ILIJQESSWIKANZ-CYBMUJFWSA-N 0 3 367.544 2.450 10 0 FEAEHN COC(=O)c1cc(CN(C)C(=O)N[C@H](CC(C)C)CN(C)C)oc1C ZINC000194193671 328414907 /nfs/dbraw/zinc/41/49/07/328414907.db2.gz XRLGXVDSNMLRCB-CQSZACIVSA-N 0 3 353.463 2.492 10 0 FEAEHN CN(C)C[C@H](NC(=O)NCCC(=O)N1CCCCCC1)c1ccccc1 ZINC000195024883 328451920 /nfs/dbraw/zinc/45/19/20/328451920.db2.gz LZNBZWWPZKWOEY-SFHVURJKSA-N 0 3 360.502 2.381 10 0 FEAEHN CCCCOC[C@H](O)CN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000195174380 328459923 /nfs/dbraw/zinc/45/99/23/328459923.db2.gz WVFGJTBQVPAPBK-MRXNPFEDSA-N 0 3 360.458 2.489 10 0 FEAEHN CCCCOC[C@H](O)CN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000195248388 328464897 /nfs/dbraw/zinc/46/48/97/328464897.db2.gz WYXCWLQXCMWCLE-JFIYKMOQSA-N 0 3 354.878 2.379 10 0 FEAEHN N[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000036297587 324488858 /nfs/dbraw/zinc/48/88/58/324488858.db2.gz RMADOLIHNJXUJH-AWEZNQCLSA-N 0 3 355.257 2.427 10 0 FEAEHN CN(C)c1c(Cl)cccc1NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000048739532 324672350 /nfs/dbraw/zinc/67/23/50/324672350.db2.gz ONFBGQAVESGTCT-ZDUSSCGKSA-N 0 3 354.882 2.374 10 0 FEAEHN CCC[C@H](N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000236821594 328495412 /nfs/dbraw/zinc/49/54/12/328495412.db2.gz YIMPUKDYEAGYNW-AWEZNQCLSA-N 0 3 358.269 2.405 10 0 FEAEHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@@H](C)[C@H]2CCCO2)CC1 ZINC000079217927 325081824 /nfs/dbraw/zinc/08/18/24/325081824.db2.gz HOYQFHACBZCRKW-FXAWDEMLSA-N 0 3 374.529 2.191 10 0 FEAEHN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000083741724 325224063 /nfs/dbraw/zinc/22/40/63/325224063.db2.gz CIDMBQYJDKXWCJ-GOSISDBHSA-N 0 3 368.485 2.339 10 0 FEAEHN CN(C)C[C@H]1CN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CCO1 ZINC000108952089 325654797 /nfs/dbraw/zinc/65/47/97/325654797.db2.gz ISEDOCGHLGWHJC-AWEZNQCLSA-N 0 3 361.446 2.364 10 0 FEAEHN COCCCN1CCC(NC(=O)N2CCC[C@@H](n3cc(C)cn3)C2)CC1 ZINC000111852241 325740859 /nfs/dbraw/zinc/74/08/59/325740859.db2.gz LQMHNFSOLCQBPB-GOSISDBHSA-N 0 3 363.506 2.039 10 0 FEAEHN CN(C)C[C@H](NC(=O)CNC(=O)c1cc(F)cc(F)c1)c1ccccc1 ZINC000113413810 325847657 /nfs/dbraw/zinc/84/76/57/325847657.db2.gz PAAKVMYOWHFIIB-KRWDZBQOSA-N 0 3 361.392 2.114 10 0 FEAEHN CCC[C@@H](C)CS(=O)(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000114495981 325900497 /nfs/dbraw/zinc/90/04/97/325900497.db2.gz YKYTYAVOCALGKZ-MRXNPFEDSA-N 0 3 368.547 2.031 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)CCc2cc(Br)cs2)CCO1 ZINC000116787055 326035337 /nfs/dbraw/zinc/03/53/37/326035337.db2.gz MYUZPSAABNSKEE-LBPRGKRZSA-N 0 3 361.305 2.232 10 0 FEAEHN COc1cccc([C@@H](CNC(=O)NCCn2cc(C)cn2)N2CCCC2)c1 ZINC000118054520 326078356 /nfs/dbraw/zinc/07/83/56/326078356.db2.gz LTWRKDCICSPKTR-LJQANCHMSA-N 0 3 371.485 2.336 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)CCO1 ZINC000118807777 326103622 /nfs/dbraw/zinc/10/36/22/326103622.db2.gz QOJRGKKAYMRXMV-CQSZACIVSA-N 0 3 368.428 2.359 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2cc(Br)ccc2F)CCO1 ZINC000118822922 326104711 /nfs/dbraw/zinc/10/47/11/326104711.db2.gz RKLBJAUSUSALEE-NSHDSACASA-N 0 3 360.227 2.383 10 0 FEAEHN O=C(CCCOc1ccccc1)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000119672397 326186234 /nfs/dbraw/zinc/18/62/34/326186234.db2.gz BXRDWLJUCZXTCQ-FQEVSTJZSA-N 0 3 368.477 2.381 10 0 FEAEHN C[C@H](NC(=O)N1CCO[C@H](CN(C)C)C1)c1ncc(-c2ccccc2)o1 ZINC000121179083 326319533 /nfs/dbraw/zinc/31/95/33/326319533.db2.gz QMZLSOUZPAOZJT-GOEBONIOSA-N 0 3 358.442 2.375 10 0 FEAEHN C[C@@H](NC(=O)NC[C@](C)(O)CN(C)C)c1ccc(OC(F)(F)F)cc1 ZINC000121266398 326325763 /nfs/dbraw/zinc/32/57/63/326325763.db2.gz RPJIQLKVWNHTLQ-ABAIWWIYSA-N 0 3 363.380 2.258 10 0 FEAEHN COCCOc1ccc(CN2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000121594071 326350324 /nfs/dbraw/zinc/35/03/24/326350324.db2.gz LYBJQFTWEOBTAK-UHFFFAOYSA-N 0 3 358.486 2.153 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1c(C)cc(N(C)C)cc1C ZINC000121727815 326361753 /nfs/dbraw/zinc/36/17/53/326361753.db2.gz DNLUUUHBFNLQHY-MRXNPFEDSA-N 0 3 360.502 2.251 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)CN(Cc2ccccc2)c2ccccc2)CCO1 ZINC000121871678 326373049 /nfs/dbraw/zinc/37/30/49/326373049.db2.gz FWERRXUIFNYVEX-OAQYLSRUSA-N 0 3 367.493 2.482 10 0 FEAEHN Cc1cc(CC(=O)N(C)CC2CCN(C[C@H](O)c3ccccc3)CC2)[nH]n1 ZINC000131946253 326584558 /nfs/dbraw/zinc/58/45/58/326584558.db2.gz GQCJGMVVLOULJU-FQEVSTJZSA-N 0 3 370.497 2.165 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000137103969 326658073 /nfs/dbraw/zinc/65/80/73/326658073.db2.gz TZQQQAIUQHNYLJ-VQIMIIECSA-N 0 3 365.493 2.292 10 0 FEAEHN CCC[C@@H](C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)N(C)C ZINC000152376704 326705749 /nfs/dbraw/zinc/70/57/49/326705749.db2.gz LMBDQQJVCUJNFB-IBGZPJMESA-N 0 3 359.514 2.410 10 0 FEAEHN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000153840428 326744432 /nfs/dbraw/zinc/74/44/32/326744432.db2.gz DDPSLRCFCFDWKS-JKSUJKDBSA-N 0 3 356.474 2.278 10 0 FEAEHN CCC[C@@H](C(=O)NC[C@H]1CCN(c2cc(OC)cc(OC)c2)C1)N(C)C ZINC000153864339 326745012 /nfs/dbraw/zinc/74/50/12/326745012.db2.gz UEWSNSVZNDECGF-BEFAXECRSA-N 0 3 363.502 2.377 10 0 FEAEHN C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCO[C@H](CN(C)C)C1 ZINC000155358708 326785915 /nfs/dbraw/zinc/78/59/15/326785915.db2.gz IEPLPNXHIDXRIZ-SWLSCSKDSA-N 0 3 370.291 2.039 10 0 FEAEHN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000157408104 326864407 /nfs/dbraw/zinc/86/44/07/326864407.db2.gz DOSMPDXPCJMMBT-WMZOPIPTSA-N 0 3 372.513 2.475 10 0 FEAEHN C[C@@H](N)C(=O)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000157567766 326868970 /nfs/dbraw/zinc/86/89/70/326868970.db2.gz QBUMPKKZHHWUQA-GOSISDBHSA-N 0 3 367.493 2.284 10 0 FEAEHN Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000163045168 327041306 /nfs/dbraw/zinc/04/13/06/327041306.db2.gz LZOWFCJJVMJKMP-CQSZACIVSA-N 0 3 362.861 2.237 10 0 FEAEHN CC[C@@H]1CN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CCN1C[C@@H](C)O ZINC000163405570 327051039 /nfs/dbraw/zinc/05/10/39/327051039.db2.gz WNAKSUAAJJYFRD-GDBMZVCRSA-N 0 3 372.469 2.003 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1-c1ncco1 ZINC000164025671 327063372 /nfs/dbraw/zinc/06/33/72/327063372.db2.gz OZOCJGGEJZVQMR-WMLDXEAASA-N 0 3 370.453 2.433 10 0 FEAEHN CNC(=O)CCN(C)C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000170783133 327099007 /nfs/dbraw/zinc/09/90/07/327099007.db2.gz VYYAPJPBHQZQJN-IBGZPJMESA-N 0 3 356.466 2.221 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000170827913 327101115 /nfs/dbraw/zinc/10/11/15/327101115.db2.gz IGMRXUIHZAMLFL-INIZCTEOSA-N 0 3 356.426 2.377 10 0 FEAEHN CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170843243 327102346 /nfs/dbraw/zinc/10/23/46/327102346.db2.gz JGXFWRFNVXINPG-GFCCVEGCSA-N 0 3 373.375 2.205 10 0 FEAEHN CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000170861564 327103334 /nfs/dbraw/zinc/10/33/34/327103334.db2.gz CWYWFOLZZRQJEE-IRXDYDNUSA-N 0 3 363.527 2.009 10 0 FEAEHN Cn1cc(CN2CCCN(Cc3ccc(-n4cccn4)cc3)CC2)cn1 ZINC000170943578 327108895 /nfs/dbraw/zinc/10/88/95/327108895.db2.gz YRWALNIXXMAPAM-UHFFFAOYSA-N 0 3 350.470 2.314 10 0 FEAEHN COC(=O)N[C@@H](C(=O)NC1CCN(CCc2ccccc2)CC1)C(C)C ZINC000170989225 327110973 /nfs/dbraw/zinc/11/09/73/327110973.db2.gz FWYNUVZXKNSVKJ-GOSISDBHSA-N 0 3 361.486 2.190 10 0 FEAEHN COC(=O)c1cccc(OCCN2CCC[C@@H](Cc3noc(C)n3)C2)c1 ZINC000171402821 327137161 /nfs/dbraw/zinc/13/71/61/327137161.db2.gz SLLPARVPJKWOPO-HNNXBMFYSA-N 0 3 359.426 2.498 10 0 FEAEHN CN(C)CCOc1cccc(CNC(=O)N2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000171461068 327140971 /nfs/dbraw/zinc/14/09/71/327140971.db2.gz VXFKONPNUKNETF-LJQANCHMSA-N 0 3 371.485 2.407 10 0 FEAEHN COc1ccc(CCNC(=O)N2CCN3CCC[C@H]3C2)cc1OC(F)F ZINC000171906424 327169309 /nfs/dbraw/zinc/16/93/09/327169309.db2.gz FELTVMLUSZLUGY-AWEZNQCLSA-N 0 3 369.412 2.329 10 0 FEAEHN CCc1nc(COc2ccc(C(=O)N3CCN4CCC[C@@H]4C3)cc2)no1 ZINC000172217261 327187802 /nfs/dbraw/zinc/18/78/02/327187802.db2.gz BIHCVHNNSBMFEO-OAHLLOKOSA-N 0 3 356.426 2.131 10 0 FEAEHN C[C@H](NC[C@@H](c1cccs1)N1CCO[C@H](C)C1)C(=O)NC(C)(C)C ZINC000173647020 327273496 /nfs/dbraw/zinc/27/34/96/327273496.db2.gz HLKGSEGLZUNRSK-ILXRZTDVSA-N 0 3 353.532 2.403 10 0 FEAEHN C[C@H](NC(=O)NC[C@@H](O)CN1CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000173654880 327273953 /nfs/dbraw/zinc/27/39/53/327273953.db2.gz JQJGKUVOSLNUKC-QFBILLFUSA-N 0 3 371.485 2.079 10 0 FEAEHN CCOC(=O)c1nc(-c2ccccc2)oc1CN1CCO[C@H](CN(C)C)C1 ZINC000174137909 327308429 /nfs/dbraw/zinc/30/84/29/327308429.db2.gz UTKXXPJYXMUTKM-MRXNPFEDSA-N 0 3 373.453 2.281 10 0 FEAEHN Cc1cc(CNC(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)on1 ZINC000174452394 327327740 /nfs/dbraw/zinc/32/77/40/327327740.db2.gz PRGXXKJIPLGHGN-IBGZPJMESA-N 0 3 372.469 2.228 10 0 FEAEHN CSCCCNC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000175072963 327372356 /nfs/dbraw/zinc/37/23/56/327372356.db2.gz YZRDJUMNDKZWTN-GOSISDBHSA-N 0 3 365.543 2.484 10 0 FEAEHN COC[C@H](C)CNC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000175099223 327373989 /nfs/dbraw/zinc/37/39/89/327373989.db2.gz XZMGPGWTVLXNMP-VQIMIIECSA-N 0 3 363.502 2.014 10 0 FEAEHN CCN1CCC[C@@H]1CNC(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000175363919 327389223 /nfs/dbraw/zinc/38/92/23/327389223.db2.gz UMUNJGBQZOIAEA-QGZVFWFLSA-N 0 3 365.547 2.153 10 0 FEAEHN COc1cccc(F)c1[C@H](C)NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000176014811 327428511 /nfs/dbraw/zinc/42/85/11/327428511.db2.gz NYQGPPPISCBAFX-KBPBESRZSA-N 0 3 353.438 2.041 10 0 FEAEHN O=C(NCC1CCN(Cc2cccs2)CC1)N[C@@H]1CCCn2ncnc21 ZINC000176467108 327457612 /nfs/dbraw/zinc/45/76/12/327457612.db2.gz ZKBYQLFTMIFZCQ-MRXNPFEDSA-N 0 3 374.514 2.386 10 0 FEAEHN C[C@H](OC[C@H](O)CN1CCO[C@@H](CN(C)C)C1)c1ccc(Cl)cc1 ZINC000246588472 328630417 /nfs/dbraw/zinc/63/04/17/328630417.db2.gz SSRFYXJVBVHEQE-QGTPRVQTSA-N 0 3 356.894 2.041 10 0 FEAEHN C[C@H](N[C@H]1CCc2ncnn2C1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000247474055 328689029 /nfs/dbraw/zinc/68/90/29/328689029.db2.gz HRKLALHVXAAUIJ-DOXZYTNZSA-N 0 3 367.497 2.327 10 0 FEAEHN COc1ccc(NC(=O)C2(N)CCOCC2)cc1OCc1cccnc1 ZINC000261777800 328818980 /nfs/dbraw/zinc/81/89/80/328818980.db2.gz HFAUHSPBHPOHDI-UHFFFAOYSA-N 0 3 357.410 2.116 10 0 FEAEHN COc1cccc(Oc2ccc(CNC(=O)[C@@H](N)C3CCOCC3)cn2)c1 ZINC000261884851 328826943 /nfs/dbraw/zinc/82/69/43/328826943.db2.gz UYJMMZSLKQYRAK-IBGZPJMESA-N 0 3 371.437 2.253 10 0 FEAEHN N[C@H](C(=O)NCc1ccc(Oc2cccc(F)c2)nc1)C1CCOCC1 ZINC000262070789 328839927 /nfs/dbraw/zinc/83/99/27/328839927.db2.gz SKAJYUHJQIJRMK-SFHVURJKSA-N 0 3 359.401 2.383 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2ccccc2OCc2cscn2)n1 ZINC000263145505 328919735 /nfs/dbraw/zinc/91/97/35/328919735.db2.gz CRPOUZYCFVDZRG-AWEZNQCLSA-N 0 3 357.439 2.348 10 0 FEAEHN Cc1cc(C)c(N2C[C@H](c3nc([C@@H]4CNCCN4C)no3)CC2=O)c(C)c1 ZINC000263228052 328926881 /nfs/dbraw/zinc/92/68/81/328926881.db2.gz NAWIEGSQXAUSJI-CVEARBPZSA-N 0 3 369.469 2.091 10 0 FEAEHN CN1CCNC[C@H]1c1noc(CCc2nc(-c3ccc(Cl)cc3)no2)n1 ZINC000263297357 328931207 /nfs/dbraw/zinc/93/12/07/328931207.db2.gz WMZXTZLINXVKPG-ZDUSSCGKSA-N 0 3 374.832 2.134 10 0 FEAEHN CN(C)[C@H](CNc1cc(N2CCC[C@H]2CO)ncn1)c1ccc(F)cc1 ZINC000264703458 329050705 /nfs/dbraw/zinc/05/07/05/329050705.db2.gz QTOZSUQQDQYRAG-DLBZAZTESA-N 0 3 359.449 2.292 10 0 FEAEHN CCCCN1CCc2nc[nH]c2C12CCN(C(=O)Cc1cc(C)no1)CC2 ZINC000091461149 520596910 /nfs/dbraw/zinc/59/69/10/520596910.db2.gz ZVAYFMGJUBDUJU-UHFFFAOYSA-N 0 3 371.485 2.425 10 0 FEAEHN CCc1ccccc1NC(=O)N1CCN(c2cc(N(C)C)cnn2)CC1 ZINC000224312301 535954002 /nfs/dbraw/zinc/95/40/02/535954002.db2.gz VNJDFDZCVDLJKY-UHFFFAOYSA-N 0 3 354.458 2.459 10 0 FEAEHN C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCO[C@H](CN(C)C)C1 ZINC000155341725 545514666 /nfs/dbraw/zinc/51/46/66/545514666.db2.gz PFRLGFZFVWUJBG-SWLSCSKDSA-N 0 3 359.392 2.295 10 0 FEAEHN Cc1ncc(CN2CCN(C(=O)c3cccc(CN(C)C)c3)CC2)s1 ZINC000156358313 545621703 /nfs/dbraw/zinc/62/17/03/545621703.db2.gz SYOJBUQHOQYSQA-UHFFFAOYSA-N 0 3 358.511 2.471 10 0 FEAEHN CC(C)N(CCN(C)C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000157346176 545728475 /nfs/dbraw/zinc/72/84/75/545728475.db2.gz SXQCWLCZKNHNSY-CQSZACIVSA-N 0 3 355.504 2.133 10 0 FEAEHN CN(C)C[C@@H]1CN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CCO1 ZINC000157817423 545787446 /nfs/dbraw/zinc/78/74/46/545787446.db2.gz ZLJBJGZFGICLGD-MRXNPFEDSA-N 0 3 374.312 2.214 10 0 FEAEHN CN(C)[C@H](CNC(=O)CN1CCCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000159158131 545927354 /nfs/dbraw/zinc/92/73/54/545927354.db2.gz IORVKENOZNOWKK-RTBURBONSA-N 0 3 355.486 2.356 10 0 FEAEHN Cc1ccc(C)c(OCC(=O)NC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000159233888 545934638 /nfs/dbraw/zinc/93/46/38/545934638.db2.gz SJDIMWPQCVLLIJ-FQEVSTJZSA-N 0 3 368.477 2.218 10 0 FEAEHN COc1ccc([C@@H](C)CCNC(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000175640223 546326401 /nfs/dbraw/zinc/32/64/01/546326401.db2.gz VIKMQRADGQWVSP-FUHWJXTLSA-N 0 3 363.502 2.335 10 0 FEAEHN O=C(Nc1cccc(CCC(F)(F)F)c1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000175783060 546349653 /nfs/dbraw/zinc/34/96/53/546349653.db2.gz QZSYXWALJQDJDR-HNNXBMFYSA-N 0 3 369.387 2.427 10 0 FEAEHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000176089344 546404656 /nfs/dbraw/zinc/40/46/56/546404656.db2.gz RQJGDBQWGIULSA-UHFFFAOYSA-N 0 3 369.469 2.124 10 0 FEAEHN CN(C)CCN1CCC(NC(=O)N2CCCC[C@H]2c2nccs2)CC1 ZINC000176196305 546418813 /nfs/dbraw/zinc/41/88/13/546418813.db2.gz KGWDXMAQIZIVHT-INIZCTEOSA-N 0 3 365.547 2.406 10 0 FEAEHN CCOC(=O)Cc1csc(NC(=O)N(C)C[C@H]2CCCN2CC)n1 ZINC000176255100 546424756 /nfs/dbraw/zinc/42/47/56/546424756.db2.gz ONQQGOSHPZLLBG-CYBMUJFWSA-N 0 3 354.476 2.197 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000176305602 546430020 /nfs/dbraw/zinc/43/00/20/546430020.db2.gz CUFOYEXIXGDJMD-SFHVURJKSA-N 0 3 374.485 2.107 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000176357570 546435170 /nfs/dbraw/zinc/43/51/70/546435170.db2.gz HVXKFZLLKCPYOQ-GDBMZVCRSA-N 0 3 362.449 2.057 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000177033903 546527732 /nfs/dbraw/zinc/52/77/32/546527732.db2.gz ACHHVEFIYBETHC-CQSZACIVSA-N 0 3 374.453 2.168 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1nnn(-c2ccc(OC)cc2)c1C ZINC000177031177 546528255 /nfs/dbraw/zinc/52/82/55/546528255.db2.gz KEOCHDCKTQAVFH-MRXNPFEDSA-N 0 3 357.458 2.141 10 0 FEAEHN CCC(CC)[C@@H](CNC(=O)N(C)C[C@@H]1CCCN1CC)N1CCOCC1 ZINC000177344677 546598225 /nfs/dbraw/zinc/59/82/25/546598225.db2.gz SDFAQGQOQOGGAO-RBUKOAKNSA-N 0 3 368.566 2.249 10 0 FEAEHN Cc1cnc(C(=O)N(C)CC2CCN(C[C@H](O)c3ccccc3)CC2)cn1 ZINC000177470081 546625055 /nfs/dbraw/zinc/62/50/55/546625055.db2.gz LEYGZCMLFITCSX-FQEVSTJZSA-N 0 3 368.481 2.303 10 0 FEAEHN Cc1cnc(C(=O)N(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000177470093 546625516 /nfs/dbraw/zinc/62/55/16/546625516.db2.gz LEYGZCMLFITCSX-HXUWFJFHSA-N 0 3 368.481 2.303 10 0 FEAEHN O=C(Cc1cccc(I)c1)N1CCN2CCC[C@H]2C1 ZINC000177549166 546641494 /nfs/dbraw/zinc/64/14/94/546641494.db2.gz ZDMAKABGIYLMJS-AWEZNQCLSA-N 0 3 370.234 2.140 10 0 FEAEHN Cn1cc([C@H]2CCCN2CCOCCN2CCC[C@@H]2c2cnn(C)c2)cn1 ZINC000178636573 546824116 /nfs/dbraw/zinc/82/41/16/546824116.db2.gz OIOAINICHHRUMY-WOJBJXKFSA-N 0 3 372.517 2.144 10 0 FEAEHN COc1ccccc1NC(=O)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000180898670 547204835 /nfs/dbraw/zinc/20/48/35/547204835.db2.gz ZTBNFMOURLFLNA-HNNXBMFYSA-N 0 3 355.438 2.270 10 0 FEAEHN CC(C)c1nnc2n1C[C@@H](NC(=O)NC[C@@H](c1ccccc1)N(C)C)CC2 ZINC000181389588 547306299 /nfs/dbraw/zinc/30/62/99/547306299.db2.gz ZVSKDHYZYQQVPJ-IRXDYDNUSA-N 0 3 370.501 2.318 10 0 FEAEHN O[C@@H](COc1ccccc1C(F)(F)F)CN1CCC[C@H](n2cncn2)C1 ZINC000182239844 547459034 /nfs/dbraw/zinc/45/90/34/547459034.db2.gz HURRHSYYGKZBQU-UONOGXRCSA-N 0 3 370.375 2.374 10 0 FEAEHN CC[C@@H]1CCCCN1C(=O)C(C)S(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000182390514 547483649 /nfs/dbraw/zinc/48/36/49/547483649.db2.gz GPBAIQZAXIHQBQ-UONOGXRCSA-N 0 3 370.519 2.033 10 0 FEAEHN Cc1ccccc1CN1CCCN(C(=O)CN[C@H](C)[C@@H]2CCCO2)CC1 ZINC000183090183 547600111 /nfs/dbraw/zinc/60/01/11/547600111.db2.gz WAVGIFGLJCSKGV-QUCCMNQESA-N 0 3 359.514 2.186 10 0 FEAEHN Cc1noc([C@H]2COCCN2C(=O)c2cccc(CN3CCCC3)c2)n1 ZINC000183767717 547715808 /nfs/dbraw/zinc/71/58/08/547715808.db2.gz NRSRXFPUXDZGCO-QGZVFWFLSA-N 0 3 356.426 2.188 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2csc(-c3ccc(F)c(F)c3)n2)CCO1 ZINC000183821311 547725466 /nfs/dbraw/zinc/72/54/66/547725466.db2.gz SXQGSQBABMNMSY-LBPRGKRZSA-N 0 3 367.421 2.491 10 0 FEAEHN Cc1noc(-c2ccccc2)c1NC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000185039310 547921299 /nfs/dbraw/zinc/92/12/99/547921299.db2.gz WWPWEKPOEMZKNZ-BBRMVZONSA-N 0 3 370.453 2.433 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccccc1-n1nccc1C ZINC000185036322 547921550 /nfs/dbraw/zinc/92/15/50/547921550.db2.gz YUWDJUZOALRPQU-INIZCTEOSA-N 0 3 369.469 2.062 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)C12CCOCC2 ZINC000185704617 548022157 /nfs/dbraw/zinc/02/21/57/548022157.db2.gz NUGNFAJYZPJFNH-XWTMOSNGSA-N 0 3 367.534 2.380 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)Cc1noc2ccccc12 ZINC000185987916 548069372 /nfs/dbraw/zinc/06/93/72/548069372.db2.gz NBZWWEYFKLCVJE-CQSZACIVSA-N 0 3 351.472 2.368 10 0 FEAEHN CCN1CC[C@H](NC(=O)[C@H]2C[C@H](F)CN2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188995489 548292730 /nfs/dbraw/zinc/29/27/30/548292730.db2.gz UWVSFKKZQNGWJG-KSYCFECVSA-N 0 3 357.832 2.431 10 0 FEAEHN CCN(CC)C(=O)[C@@H](C)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000195258442 548604966 /nfs/dbraw/zinc/60/49/66/548604966.db2.gz YQVAOZQBJYCZTM-HZPDHXFCSA-N 0 3 352.548 2.462 10 0 FEAEHN C[C@H](C(=O)N1CCC(C)CC1)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195277966 548610687 /nfs/dbraw/zinc/61/06/87/548610687.db2.gz BKSBBSFGZDUUSI-UYAOXDASSA-N 0 3 358.530 2.482 10 0 FEAEHN CC(C)c1nnc2n1C[C@H](NC(=O)c1ccccc1OCCN(C)C)CC2 ZINC000195292738 548614919 /nfs/dbraw/zinc/61/49/19/548614919.db2.gz QZIDPPGLROCTFR-OAHLLOKOSA-N 0 3 371.485 2.087 10 0 FEAEHN COc1cc(C(=O)N2CCN3CCC[C@@H]3C2)cc(OC)c1Br ZINC000195321460 548622599 /nfs/dbraw/zinc/62/25/99/548622599.db2.gz CQXCYGOWXIIJJK-GFCCVEGCSA-N 0 3 369.259 2.387 10 0 FEAEHN O=C(CCNC(=O)c1ccc2ccccc2c1)N1CCN2CCC[C@@H]2C1 ZINC000195329069 548626032 /nfs/dbraw/zinc/62/60/32/548626032.db2.gz JXGPITMLTSWAMT-LJQANCHMSA-N 0 3 351.450 2.266 10 0 FEAEHN C[C@@H]1CCCN(CCNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)C1 ZINC000245694195 548977019 /nfs/dbraw/zinc/97/70/19/548977019.db2.gz XUUZCQMJRHKTDA-BJZITVGISA-N 0 3 361.461 2.193 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000245721620 548982176 /nfs/dbraw/zinc/98/21/76/548982176.db2.gz RJCFVODZQNLFQI-UONOGXRCSA-N 0 3 352.445 2.241 10 0 FEAEHN CCN(C(=O)[C@H](C)N1C[C@@H](C)[C@H](N2CCOCC2)C1)C1CCCCC1 ZINC000246079906 549046639 /nfs/dbraw/zinc/04/66/39/549046639.db2.gz FDELRYVDFUSQFT-ZIFCJYIRSA-N 0 3 351.535 2.209 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000246147551 549062997 /nfs/dbraw/zinc/06/29/97/549062997.db2.gz OPGBFBOQOYQIPP-WFASDCNBSA-N 0 3 372.437 2.133 10 0 FEAEHN CCN(Cc1ccccc1)C(=O)[C@H](C)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246185389 549071628 /nfs/dbraw/zinc/07/16/28/549071628.db2.gz UQNZXRTUPVGBRY-HBFSDRIKSA-N 0 3 359.514 2.076 10 0 FEAEHN CCOCCN1CCN(C[C@H](O)COCc2ccccc2Cl)C[C@H]1C ZINC000246215286 549080546 /nfs/dbraw/zinc/08/05/46/549080546.db2.gz AWFDSXGTGLIBCC-AEFFLSMTSA-N 0 3 370.921 2.260 10 0 FEAEHN CC(C)OCc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000246271744 549093687 /nfs/dbraw/zinc/09/36/87/549093687.db2.gz AODIDEPCZGOENO-MAUKXSAKSA-N 0 3 361.486 2.395 10 0 FEAEHN C[C@H]1CN(CCCc2nc(-c3ccccc3)no2)C[C@H]1N1CCOCC1 ZINC000246286211 549097194 /nfs/dbraw/zinc/09/71/94/549097194.db2.gz ARTXQHOJNBCQDH-FUHWJXTLSA-N 0 3 356.470 2.322 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cccc(-c3cnco3)c2)C1 ZINC000246457251 549137953 /nfs/dbraw/zinc/13/79/53/549137953.db2.gz PBAJHUPCQMXSSC-XJKSGUPXSA-N 0 3 356.426 2.125 10 0 FEAEHN CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC[C@@H](Cn2cncn2)C1 ZINC000246656418 549183495 /nfs/dbraw/zinc/18/34/95/549183495.db2.gz CRYRSNCJQMOMDV-IEBWSBKVSA-N 0 3 355.486 2.427 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1nnn(-c2ccc(OC)cc2)c1C ZINC000246834042 549224956 /nfs/dbraw/zinc/22/49/56/549224956.db2.gz AUPGEOPRNSZLKF-WBVHZDCISA-N 0 3 369.469 2.283 10 0 FEAEHN CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000247660130 549369685 /nfs/dbraw/zinc/36/96/85/549369685.db2.gz ZTRIBTMBILLUDW-CVEARBPZSA-N 0 3 366.506 2.123 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc(OCC(F)F)cc2)C1 ZINC000248474435 549447752 /nfs/dbraw/zinc/44/77/52/549447752.db2.gz XFEWLSCJHYSRER-IUODEOHRSA-N 0 3 362.442 2.338 10 0 FEAEHN Cc1csc(=O)n1CCN1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248579931 549462366 /nfs/dbraw/zinc/46/23/66/549462366.db2.gz IDXRPHSHJQTRPP-SOUVJXGZSA-N 0 3 367.515 2.453 10 0 FEAEHN COC(=O)[C@@H](c1cccnc1)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000248644347 549474996 /nfs/dbraw/zinc/47/49/96/549474996.db2.gz FFDOBNFKGVRVJC-IEBWSBKVSA-N 0 3 354.454 2.145 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(Cl)nc1C ZINC000248680705 549483324 /nfs/dbraw/zinc/48/33/24/549483324.db2.gz OFQJWOAZEMJSEI-OLZOCXBDSA-N 0 3 350.850 2.067 10 0 FEAEHN CN([C@@H]1CCCN(c2cccnn2)C1)[C@H]1CCc2ccccc2NC1=O ZINC000248821133 549506737 /nfs/dbraw/zinc/50/67/37/549506737.db2.gz FSDKVGCITNOUPV-AEFFLSMTSA-N 0 3 351.454 2.331 10 0 FEAEHN Cc1ccc2cccc(NC(=O)C(=O)N3C[C@H]4CCCN4C[C@H]3C)c2n1 ZINC000249107208 549553378 /nfs/dbraw/zinc/55/33/78/549553378.db2.gz ACQRELJSCTWBAP-GDBMZVCRSA-N 0 3 352.438 2.177 10 0 FEAEHN CC[C@H](C)NC(=O)[C@H](C)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000249145331 549560120 /nfs/dbraw/zinc/56/01/20/549560120.db2.gz ZXSFAQDDVRMPFK-YESZJQIVSA-N 0 3 369.550 2.418 10 0 FEAEHN CCc1nc2cc(NC(=O)C(=O)N3C[C@H]4CCCN4C[C@H]3CC)ccc2o1 ZINC000249175028 549564057 /nfs/dbraw/zinc/56/40/57/549564057.db2.gz LYDZOQXGNZQASU-HUUCEWRRSA-N 0 3 370.453 2.414 10 0 FEAEHN COC[C@@H](C)CNC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000249399183 549588669 /nfs/dbraw/zinc/58/86/69/549588669.db2.gz BFRCBYIVDSWLCE-ZFWWWQNUSA-N 0 3 354.520 2.197 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)C1 ZINC000250673049 549643343 /nfs/dbraw/zinc/64/33/43/549643343.db2.gz YZCQBMPVGZXVOT-ZWKOTPCHSA-N 0 3 374.485 2.088 10 0 FEAEHN NC1(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)CCOCC1 ZINC000261654446 549739741 /nfs/dbraw/zinc/73/97/41/549739741.db2.gz ARDQQPZXUVRXNG-UHFFFAOYSA-N 0 3 371.412 2.453 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)C1(N)CCOCC1)c1ccccc1Cl ZINC000261657055 549739878 /nfs/dbraw/zinc/73/98/78/549739878.db2.gz AVCHFTJUFAMIHN-INIZCTEOSA-N 0 3 353.894 2.347 10 0 FEAEHN Cc1cccc(NC(=O)NCC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)c1 ZINC000261676135 549741707 /nfs/dbraw/zinc/74/17/07/549741707.db2.gz IBRISLFGOKNIPL-ZWKOTPCHSA-N 0 3 352.438 2.070 10 0 FEAEHN c1cn(CCc2ccccc2)c(CN[C@@H]2CCC[C@@H]2[C@H]2COCCN2)n1 ZINC000261962990 549774807 /nfs/dbraw/zinc/77/48/07/549774807.db2.gz PUMWIMMYGDNGDI-XUVXKRRUSA-N 0 3 354.498 2.373 10 0 FEAEHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1CC(F)(F)CN1 ZINC000262998605 549870117 /nfs/dbraw/zinc/87/01/17/549870117.db2.gz OMIUSBWCVMEXOL-DLBZAZTESA-N 0 3 351.441 2.354 10 0 FEAEHN CN1CCNC[C@H]1c1noc(CCc2ccc(Br)cc2)n1 ZINC000263267128 549890992 /nfs/dbraw/zinc/89/09/92/549890992.db2.gz RRFCICWVUDQYSP-ZDUSSCGKSA-N 0 3 351.248 2.193 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(CCc2nc(-c3ccc(Cl)cc3)no2)n1 ZINC000263297356 549893153 /nfs/dbraw/zinc/89/31/53/549893153.db2.gz WMZXTZLINXVKPG-CYBMUJFWSA-N 0 3 374.832 2.134 10 0 FEAEHN CN(C)c1ccc(-c2cncc(-c3nc([C@@H]4CNCCN4C)no3)c2)cc1 ZINC000263317850 549894804 /nfs/dbraw/zinc/89/48/04/549894804.db2.gz ZSTGERZJAZANJV-SFHVURJKSA-N 0 3 364.453 2.441 10 0 FEAEHN CC(C)n1cc([C@@]2(O)CCCN(Cc3ccc4c(c3)ncn4C)C2)nn1 ZINC000285488272 551764257 /nfs/dbraw/zinc/76/42/57/551764257.db2.gz MELBQTKVJXBSDA-LJQANCHMSA-N 0 3 354.458 2.229 10 0 FEAEHN Cn1nccc1[C@H]1[C@H](NCCOc2ccccc2F)CC(=O)N1C1CC1 ZINC000499781133 561558287 /nfs/dbraw/zinc/55/82/87/561558287.db2.gz AGIRNXQDJLGBGV-DNVCBOLYSA-N 0 3 358.417 2.032 10 0 FEAEHN CN(C)C[C@@H](NC(=O)CCNC(=O)OCC(F)(F)F)c1ccccc1 ZINC000057193098 670367181 /nfs/dbraw/zinc/36/71/81/670367181.db2.gz YUDDBTUAKCXEFY-CYBMUJFWSA-N 0 3 361.364 2.084 10 0 FEAEHN CC[C@@H]1CN(Cn2nc(-c3ccco3)n(C)c2=S)CCN1CCOC ZINC000117324666 670914704 /nfs/dbraw/zinc/91/47/04/670914704.db2.gz KXDKQCXJNIPNNI-CQSZACIVSA-N 0 3 365.503 2.211 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)C1 ZINC000132221731 672095973 /nfs/dbraw/zinc/09/59/73/672095973.db2.gz ASBRUAQLDFNYMU-HUUCEWRRSA-N 0 3 354.495 2.122 10 0 FEAEHN CC[C@H](O)CN1CCN(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000174071090 672357684 /nfs/dbraw/zinc/35/76/84/672357684.db2.gz LHRPRKPJRWCCEL-IRXDYDNUSA-N 0 3 355.523 2.022 10 0 FEAEHN COc1ccc2c(c1)C=C(S(=O)(=O)N1C[C@H]3CCCN3C[C@@H]1C)CC2 ZINC000185996387 672538570 /nfs/dbraw/zinc/53/85/70/672538570.db2.gz GSGNPBPPCUEXLZ-WMLDXEAASA-N 0 3 362.495 2.481 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000186677673 672552376 /nfs/dbraw/zinc/55/23/76/672552376.db2.gz NXRQIZKFEKRYBK-LLVKDONJSA-N 0 3 360.380 2.131 10 0 FEAEHN CCN1CC[C@H](NC(=O)c2cccc(F)c2I)C1 ZINC000591105234 672650561 /nfs/dbraw/zinc/65/05/61/672650561.db2.gz XKDSYKHMDTXQOE-VIFPVBQESA-N 0 3 362.186 2.254 10 0 FEAEHN C[C@@H](NC(=O)c1ccco1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000025460622 539760653 /nfs/dbraw/zinc/76/06/53/539760653.db2.gz UGMCDUYAVMOBOB-OAHLLOKOSA-N 0 3 369.465 2.351 10 0 FEAEHN CC(C(=O)N[C@H](C)c1ccccc1)S(=O)(=O)Cc1nc(C2CC2)no1 ZINC000046137283 540243830 /nfs/dbraw/zinc/24/38/30/540243830.db2.gz TXADHWQPTSUILC-NEPJUHHUSA-N 0 3 363.439 2.128 10 0 FEAEHN CC(C)N(CCNC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21)C(C)C ZINC000047683968 540324549 /nfs/dbraw/zinc/32/45/49/540324549.db2.gz FBSFCLWSDFDXAA-INIZCTEOSA-N 0 3 367.515 2.323 10 0 FEAEHN COc1ccc(C(C)(C)CNC(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000060576728 541117812 /nfs/dbraw/zinc/11/78/12/541117812.db2.gz ABRHOKOHFIXMEU-KRWDZBQOSA-N 0 3 363.502 2.119 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000247381233 549326851 /nfs/dbraw/zinc/32/68/51/549326851.db2.gz FMGSGYNIXSHVDC-FXUDXRNXSA-N 0 3 351.491 2.375 10 0 FEAEHN CCCNC(=O)CCNC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000067569949 541482050 /nfs/dbraw/zinc/48/20/50/541482050.db2.gz PVEJRQJYMZAOBO-GOSISDBHSA-N 0 3 360.502 2.257 10 0 FEAEHN Cn1nc(CO)nc1NCCCOc1cccc(CN2CCCCC2)c1 ZINC000001532377 204012328 /nfs/dbraw/zinc/01/23/28/204012328.db2.gz VTLNPNNUIJHJQB-UHFFFAOYSA-N 0 3 359.474 2.174 10 0 investigational FEAEHN CN(C)CCN(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)C(=O)C1CC1 ZINC000006707885 204261856 /nfs/dbraw/zinc/26/18/56/204261856.db2.gz IGEBZKPFOVDTPS-UHFFFAOYSA-N 0 3 372.513 2.401 10 0 FEAEHN O[C@@H](Cc1ccccc1)CN(CCN1CCOCC1)Cc1ccccc1 ZINC000036096708 205003690 /nfs/dbraw/zinc/00/36/90/205003690.db2.gz RKJWNJYEHWYNOL-QFIPXVFZSA-N 0 3 354.494 2.424 10 0 FEAEHN C[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccc(F)c(Cl)c1 ZINC000073050302 541913534 /nfs/dbraw/zinc/91/35/34/541913534.db2.gz XILOHJXIJYZPQL-YPMHNXCESA-N 0 3 355.841 2.066 10 0 FEAEHN CC(C)(C)OC[C@H](O)CN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000076609337 542300869 /nfs/dbraw/zinc/30/08/69/542300869.db2.gz WZROFIKLRVGOPR-JKSUJKDBSA-N 0 3 350.507 2.360 10 0 FEAEHN CN(C)CCN1CC2(CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)OC1=O ZINC000077505488 542389668 /nfs/dbraw/zinc/38/96/68/542389668.db2.gz FXPYUZSKCIXPBS-UHFFFAOYSA-N 0 3 370.453 2.157 10 0 FEAEHN CCn1cnnc1[C@H]1CCCN(C[C@H](O)COCc2ccc(OC)cc2)C1 ZINC000103475453 543110485 /nfs/dbraw/zinc/11/04/85/543110485.db2.gz GEYKRZJQVMAMSK-ROUUACIJSA-N 0 3 374.485 2.064 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000247447290 549334980 /nfs/dbraw/zinc/33/49/80/549334980.db2.gz SLLQLWRDYJDRSW-GOEBONIOSA-N 0 3 360.454 2.266 10 0 FEAEHN C[C@H](NC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000105146264 543161990 /nfs/dbraw/zinc/16/19/90/543161990.db2.gz DHPFCBRYTQLOPH-ICSRJNTNSA-N 0 3 374.529 2.013 10 0 FEAEHN Cc1ccc(N2CCCN(C[C@@H](O)COc3ccccc3C)CC2)nn1 ZINC000106071775 543188840 /nfs/dbraw/zinc/18/88/40/543188840.db2.gz WGRWTGHYLXLGDB-GOSISDBHSA-N 0 3 356.470 2.045 10 0 FEAEHN Cc1ccc(C)c(OC[C@@H](O)CN2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000106071685 543189130 /nfs/dbraw/zinc/18/91/30/543189130.db2.gz FRDJOMMFGBTEGC-IBGZPJMESA-N 0 3 370.497 2.354 10 0 FEAEHN COC(=O)c1cccc(OCCN(C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000106074939 543189923 /nfs/dbraw/zinc/18/99/23/543189923.db2.gz GMCMDONSGXJURP-KRWDZBQOSA-N 0 3 370.453 2.243 10 0 FEAEHN COCCN1CCN(C[C@H](O)COc2cccc3ccccc32)C[C@H]1C ZINC000106108765 543199748 /nfs/dbraw/zinc/19/97/48/543199748.db2.gz JRFCNSRFRKADPS-MJGOQNOKSA-N 0 3 358.482 2.232 10 0 FEAEHN CSc1ccccc1NC(=O)CCN1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000106099309 543196188 /nfs/dbraw/zinc/19/61/88/543196188.db2.gz CHRVJMPMPMTOBD-LSDHHAIUSA-N 0 3 351.516 2.124 10 0 FEAEHN CN(Cc1ccc(C(N)=O)cc1)C[C@H](c1cccs1)N1CCOCC1 ZINC000106161450 543211241 /nfs/dbraw/zinc/21/12/41/543211241.db2.gz JVUQYZUCLRSLEX-QGZVFWFLSA-N 0 3 359.495 2.352 10 0 FEAEHN CC[C@H]1CN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CCN1CCOC ZINC000106115112 543201462 /nfs/dbraw/zinc/20/14/62/543201462.db2.gz USQYPHDRRCWKCF-AWEZNQCLSA-N 0 3 364.877 2.119 10 0 FEAEHN CC(C)N1CCO[C@@H](CN2CCN(CCCOc3ccccc3)CC2)C1 ZINC000106123009 543203298 /nfs/dbraw/zinc/20/32/98/543203298.db2.gz UVSDPEDZUACGSS-NRFANRHFSA-N 0 3 361.530 2.182 10 0 FEAEHN CN(C)CCOc1ccc(CNC(=O)[C@@H](Cc2ccccc2)N(C)C)cc1 ZINC000106459149 543231235 /nfs/dbraw/zinc/23/12/35/543231235.db2.gz CUZOIUOCUCSRAV-OAQYLSRUSA-N 0 3 369.509 2.416 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)C1 ZINC000107250388 543264012 /nfs/dbraw/zinc/26/40/12/543264012.db2.gz RLOZODMMMXZFRL-MRXNPFEDSA-N 0 3 359.470 2.331 10 0 FEAEHN CN(C(=O)NCCc1ccccc1F)C1CCN(CCn2cccn2)CC1 ZINC000109392202 543323723 /nfs/dbraw/zinc/32/37/23/543323723.db2.gz KMTIBNKPRGKXAC-UHFFFAOYSA-N 0 3 373.476 2.371 10 0 FEAEHN Cc1cc(C)n(C[C@H]2CN(C(=O)c3ccc(CN(C)C)cc3)CCO2)n1 ZINC000110899658 543373163 /nfs/dbraw/zinc/37/31/63/543373163.db2.gz CRVBMLLBINNQAT-LJQANCHMSA-N 0 3 356.470 2.103 10 0 FEAEHN COCCCN1CCC(NC(=O)N2CCC[C@H](n3cc(C)cn3)C2)CC1 ZINC000111852243 543420413 /nfs/dbraw/zinc/42/04/13/543420413.db2.gz LQMHNFSOLCQBPB-SFHVURJKSA-N 0 3 363.506 2.039 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@H](C)C(=O)N(C)Cc1cccc(F)c1)CC2 ZINC000112551992 543452072 /nfs/dbraw/zinc/45/20/72/543452072.db2.gz NUAPTSHRLWAGDT-PBHICJAKSA-N 0 3 373.476 2.492 10 0 FEAEHN Cc1ccc(NC(=O)CSCC(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1 ZINC000113232315 543478289 /nfs/dbraw/zinc/47/82/89/543478289.db2.gz SDJYNTWIMGFKPV-RDJZCZTQSA-N 0 3 361.511 2.362 10 0 FEAEHN CN(C)C[C@@H](NC(=O)CNC(=O)c1cc(F)cc(F)c1)c1ccccc1 ZINC000113413812 543487394 /nfs/dbraw/zinc/48/73/94/543487394.db2.gz PAAKVMYOWHFIIB-QGZVFWFLSA-N 0 3 361.392 2.114 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)c3cc(Cl)cn3C)CC2)nc1 ZINC000114414727 543514547 /nfs/dbraw/zinc/51/45/47/543514547.db2.gz CCYIDIBOQPYMHE-UHFFFAOYSA-N 0 3 361.877 2.098 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)CC[C@@H]3CCCCO3)CC2)nc1 ZINC000114414003 543514721 /nfs/dbraw/zinc/51/47/21/543514721.db2.gz JAEVLBCHYAYGEF-SFHVURJKSA-N 0 3 360.502 2.141 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CCNC(=O)N1CCc2ccccc2C1 ZINC000118320491 543650463 /nfs/dbraw/zinc/65/04/63/543650463.db2.gz INEPMAVOUAMQQU-LJQANCHMSA-N 0 3 374.529 2.237 10 0 FEAEHN COCCN1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C[C@H]1C ZINC000117497594 543634382 /nfs/dbraw/zinc/63/43/82/543634382.db2.gz CBGZSXMMHDCDOA-QUCCMNQESA-N 0 3 374.529 2.013 10 0 FEAEHN CN(C)CCOc1ccccc1C(=O)N1CCC(c2ccnn2C)CC1 ZINC000124410794 543819253 /nfs/dbraw/zinc/81/92/53/543819253.db2.gz NTTJHUNHSRSMPY-UHFFFAOYSA-N 0 3 356.470 2.380 10 0 FEAEHN C[C@H]1CN(S(=O)(=O)c2sccc2Br)C[C@@H]1N(C)C ZINC000124026628 543797505 /nfs/dbraw/zinc/79/75/05/543797505.db2.gz KBPPJVZUKZLXJO-WPRPVWTQSA-N 0 3 353.307 2.081 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CNC[C@@H]1CCCC[C@H]1O ZINC000124269596 543810655 /nfs/dbraw/zinc/81/06/55/543810655.db2.gz RNYGTBDTLMJPDE-DOTOQJQBSA-N 0 3 350.507 2.021 10 0 FEAEHN CCn1cnnc1[C@H]1CCCN(C[C@H](O)COCc2cccc(OC)c2)C1 ZINC000126220668 543924179 /nfs/dbraw/zinc/92/41/79/543924179.db2.gz KSRVIUAWBCEFPP-ROUUACIJSA-N 0 3 374.485 2.064 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000129240506 544099645 /nfs/dbraw/zinc/09/96/45/544099645.db2.gz KDQKFRFHLBEVSX-GOSISDBHSA-N 0 3 369.469 2.047 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000129479927 544114140 /nfs/dbraw/zinc/11/41/40/544114140.db2.gz WVPUEHPKVXJXTE-GOSISDBHSA-N 0 3 369.469 2.047 10 0 FEAEHN COc1ccccc1[C@@H](CNC(=O)N1CCN2CCC[C@H]2C1)N1CCCC1 ZINC000247496887 549345018 /nfs/dbraw/zinc/34/50/18/549345018.db2.gz MSFFBQLKUAYRGU-PKOBYXMFSA-N 0 3 372.513 2.322 10 0 FEAEHN Cc1csc([C@@H]2CCCN(C[C@@H]3CCCN(S(C)(=O)=O)C3)C2)n1 ZINC000131271461 544183063 /nfs/dbraw/zinc/18/30/63/544183063.db2.gz SRDWBIBZDMRXLX-LSDHHAIUSA-N 0 3 357.545 2.303 10 0 FEAEHN Cc1ccn(-c2ccccc2NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)n1 ZINC000131389968 544188112 /nfs/dbraw/zinc/18/81/12/544188112.db2.gz COGLMVPLBRVLLJ-MRXNPFEDSA-N 0 3 371.485 2.212 10 0 FEAEHN CCCCCNC(=O)C1CCN(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)CC1 ZINC000132534314 544234680 /nfs/dbraw/zinc/23/46/80/544234680.db2.gz DRNGLYIPQNVWEB-WMZOPIPTSA-N 0 3 366.550 2.443 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2N(C)C)C1 ZINC000150780632 544470568 /nfs/dbraw/zinc/47/05/68/544470568.db2.gz QMXBIEQILDLYMI-DOMZBBRYSA-N 0 3 366.893 2.189 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2cccc(Br)c2)[C@@H](C)C1 ZINC000150778701 544470960 /nfs/dbraw/zinc/47/09/60/544470960.db2.gz FHTVOAOMMKXYFJ-FZMZJTMJSA-N 0 3 368.275 2.233 10 0 FEAEHN Cc1ccc2cccc(NC(=O)C(=O)N[C@@H]3CN(C(C)C)C[C@@H]3C)c2n1 ZINC000150793845 544472453 /nfs/dbraw/zinc/47/24/53/544472453.db2.gz PICCZDVEVPIAHV-SUMWQHHRSA-N 0 3 354.454 2.327 10 0 FEAEHN Cc1ccn(-c2ccccc2NC(=O)NC[C@@H](O)CN2CCCCC2)n1 ZINC000151197922 544516540 /nfs/dbraw/zinc/51/65/40/544516540.db2.gz ZRBLRVZIBJLJNF-MRXNPFEDSA-N 0 3 357.458 2.149 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000247517710 549348881 /nfs/dbraw/zinc/34/88/81/549348881.db2.gz WLETWNXIFJFQQZ-IMFGXOCKSA-N 0 3 355.482 2.435 10 0 FEAEHN CN1C(=O)C[C@H](C(=O)NCCN2CCCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000152154006 544619168 /nfs/dbraw/zinc/61/91/68/544619168.db2.gz JTAQFIZHLPCKLP-HKUYNNGSSA-N 0 3 361.461 2.337 10 0 FEAEHN CC(C)CSCCCN1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000152624337 544675709 /nfs/dbraw/zinc/67/57/09/544675709.db2.gz ASVRNXXEXAXPAF-IBGZPJMESA-N 0 3 357.608 2.493 10 0 FEAEHN COc1ccccc1COC[C@H](O)CN1CC[C@H](Oc2cccnc2)C1 ZINC000152354896 544642482 /nfs/dbraw/zinc/64/24/82/544642482.db2.gz UBPFANRFBRHJTG-MJGOQNOKSA-N 0 3 358.438 2.121 10 0 FEAEHN C[C@H](NC(=O)NC[C@@H](c1ccccc1)N(C)C)c1nnc2n1CCCC2 ZINC000153083043 544731137 /nfs/dbraw/zinc/73/11/37/544731137.db2.gz HBLRUGHMBGZBSG-HOCLYGCPSA-N 0 3 356.474 2.278 10 0 FEAEHN CCC[C@H](C(=O)NC[C@H]1CCN(c2cc(OC)cc(OC)c2)C1)N(C)C ZINC000153864456 544833756 /nfs/dbraw/zinc/83/37/56/544833756.db2.gz UEWSNSVZNDECGF-DNVCBOLYSA-N 0 3 363.502 2.377 10 0 FEAEHN O[C@H](Cc1ccccc1C(F)(F)F)CN1CC[C@H](N2CCOCC2)C1 ZINC000154386043 544899446 /nfs/dbraw/zinc/89/94/46/544899446.db2.gz RFIZHALBXVGONK-JKSUJKDBSA-N 0 3 358.404 2.015 10 0 FEAEHN COC[C@H](Cc1ccccc1)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182355917 327771839 /nfs/dbraw/zinc/77/18/39/327771839.db2.gz RCDVLMRNGUZPLN-ROUUACIJSA-N 0 3 356.470 2.071 10 0 FEAEHN CC(=O)N[C@@H]1CCCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C1 ZINC000184671142 327878265 /nfs/dbraw/zinc/87/82/65/327878265.db2.gz IAXPRDMJJRUGPW-LJQANCHMSA-N 0 3 357.498 2.416 10 0 FEAEHN COCCC(C)(C)CNC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000185140983 327901852 /nfs/dbraw/zinc/90/18/52/327901852.db2.gz ADHMEWACIVTMAO-UHFFFAOYSA-N 0 3 365.522 2.052 10 0 FEAEHN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000188036154 328061724 /nfs/dbraw/zinc/06/17/24/328061724.db2.gz LAGCHRQVIWDVOF-WFASDCNBSA-N 0 3 360.376 2.262 10 0 FEAEHN C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000188894161 328116253 /nfs/dbraw/zinc/11/62/53/328116253.db2.gz RPSMHGOTYFKETQ-KBXCAEBGSA-N 0 3 359.470 2.138 10 0 FEAEHN CC(C)COc1cccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)c1 ZINC000190079801 328186485 /nfs/dbraw/zinc/18/64/85/328186485.db2.gz FKUXDAGDOPRFAX-NVXWUHKLSA-N 0 3 359.470 2.355 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1CC(F)(F)F ZINC000190104990 328188436 /nfs/dbraw/zinc/18/84/36/328188436.db2.gz AAQOFUKSGFODRJ-TZMCWYRMSA-N 0 3 369.387 2.425 10 0 FEAEHN CO[C@H](C)[C@H](C)NC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000190229092 328195722 /nfs/dbraw/zinc/19/57/22/328195722.db2.gz BTULPMQLQBDQOR-FRQCXROJSA-N 0 3 363.502 2.155 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cnc(Cl)c(C)c1 ZINC000190337209 328201227 /nfs/dbraw/zinc/20/12/27/328201227.db2.gz HIUBNLQXTUHQGW-ZIAGYGMSSA-N 0 3 350.850 2.067 10 0 FEAEHN Cc1cccc(CNC(=O)N2CCO[C@@H](CN(C)C)C2)c1Br ZINC000190497609 328211757 /nfs/dbraw/zinc/21/17/57/328211757.db2.gz JUJDPYDPDSENBM-AWEZNQCLSA-N 0 3 370.291 2.230 10 0 FEAEHN CC(C)CNC(=O)[C@@H](C)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190503216 328212382 /nfs/dbraw/zinc/21/23/82/328212382.db2.gz BUPLGJJWMQKFSF-SJORKVTESA-N 0 3 369.550 2.275 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)Cc2c[nH]c3ncccc23)C1 ZINC000190581818 328217641 /nfs/dbraw/zinc/21/76/41/328217641.db2.gz OXDSWHOVSQHPHL-QGZVFWFLSA-N 0 3 363.465 2.481 10 0 FEAEHN Cc1nn(C)c(C)c1CCC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190662547 328223260 /nfs/dbraw/zinc/22/32/60/328223260.db2.gz JZIJSBCWKMIKEB-IBGZPJMESA-N 0 3 369.513 2.345 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NCCc2cccnc2)C1 ZINC000190689787 328225022 /nfs/dbraw/zinc/22/50/22/328225022.db2.gz NVOZSGPLKFDIMS-LJQANCHMSA-N 0 3 353.470 2.183 10 0 FEAEHN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccc(CO)o2)CC1 ZINC000190852789 328236166 /nfs/dbraw/zinc/23/61/66/328236166.db2.gz OAHPXEGORBFUFW-HNNXBMFYSA-N 0 3 352.475 2.400 10 0 FEAEHN C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CCCNC(=O)[C@@H]2C)CC1 ZINC000191401546 328264049 /nfs/dbraw/zinc/26/40/49/328264049.db2.gz GZYPSGZHCPQVTB-HOTGVXAUSA-N 0 3 358.486 2.132 10 0 FEAEHN CN1CCN(CC2CCN(C(=O)N[C@H]3CCOc4ccccc43)CC2)CC1 ZINC000192143497 328302150 /nfs/dbraw/zinc/30/21/50/328302150.db2.gz DBBZNDZRSQKZMZ-IBGZPJMESA-N 0 3 372.513 2.179 10 0 FEAEHN O=C(NCC1CCN(C[C@H](O)c2ccccc2)CC1)c1cncc(Cl)n1 ZINC000192361519 328315424 /nfs/dbraw/zinc/31/54/24/328315424.db2.gz YAZDSTZYQRZBDM-KRWDZBQOSA-N 0 3 374.872 2.305 10 0 FEAEHN COc1cc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)ccc1Cl ZINC000193146102 328359483 /nfs/dbraw/zinc/35/94/83/328359483.db2.gz LUAWOYQKNYSQLC-RISCZKNCSA-N 0 3 353.850 2.132 10 0 FEAEHN CNCC(=O)NCCOc1c(Cl)cc(Br)cc1Cl ZINC000193142820 328359576 /nfs/dbraw/zinc/35/95/76/328359576.db2.gz STZVJVLUMBALMG-UHFFFAOYSA-N 0 3 356.047 2.470 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1nc2c(s1)CCCC2 ZINC000193415169 328373884 /nfs/dbraw/zinc/37/38/84/328373884.db2.gz GGHDFBAQXMNKPP-QWHCGFSZSA-N 0 3 362.499 2.046 10 0 FEAEHN O=C(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)c1ccccc1 ZINC000194367801 328421409 /nfs/dbraw/zinc/42/14/09/328421409.db2.gz CIPASUACQMQSET-HXUWFJFHSA-N 0 3 366.461 2.431 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000236945610 328498818 /nfs/dbraw/zinc/49/88/18/328498818.db2.gz ZSNWIROIIJTQHQ-IAQYHMDHSA-N 0 3 352.866 2.286 10 0 FEAEHN COc1ccc([C@H](CC(=O)N[C@H](CC(C)C)CN(C)C)NC(C)=O)cc1 ZINC000077729779 325009439 /nfs/dbraw/zinc/00/94/39/325009439.db2.gz GGRUMOXUFYHQBY-MJGOQNOKSA-N 0 3 363.502 2.355 10 0 FEAEHN CN(C(=O)NOCc1ccccc1)C1CCN(CCn2cccn2)CC1 ZINC000109398590 325667407 /nfs/dbraw/zinc/66/74/07/325667407.db2.gz RJBWPVZOBLWGBG-UHFFFAOYSA-N 0 3 357.458 2.121 10 0 FEAEHN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000116784454 326035214 /nfs/dbraw/zinc/03/52/14/326035214.db2.gz MUDYMEJLASUYIF-QGZVFWFLSA-N 0 3 360.433 2.031 10 0 FEAEHN Cc1cc(C)n(-c2cccc(NC(=O)N3CCO[C@@H](CN(C)C)C3)c2)n1 ZINC000118805728 326103649 /nfs/dbraw/zinc/10/36/49/326103649.db2.gz LVZSXXREUUKNIC-SFHVURJKSA-N 0 3 357.458 2.283 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000119201922 326136823 /nfs/dbraw/zinc/13/68/23/326136823.db2.gz KHLXGZRFFOCLQJ-VXGBXAGGSA-N 0 3 358.408 2.476 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)CSc1nnnn1C1CCCC1 ZINC000119491010 326168171 /nfs/dbraw/zinc/16/81/71/326168171.db2.gz SQXFVTWEWOIUNL-OAHLLOKOSA-N 0 3 366.535 2.117 10 0 FEAEHN O=C(c1cccc(C(=O)N2CCC[C@@H](N3CCCC3)C2)n1)N1CCCC1 ZINC000119492893 326168782 /nfs/dbraw/zinc/16/87/82/326168782.db2.gz DWDOTIFDZPTVED-MRXNPFEDSA-N 0 3 356.470 2.018 10 0 FEAEHN Cc1nc(CC(C)C)c(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)s1 ZINC000120037655 326224159 /nfs/dbraw/zinc/22/41/59/326224159.db2.gz INVKFNVBEOKSBV-SWLSCSKDSA-N 0 3 366.531 2.433 10 0 FEAEHN CCc1onc(C)c1NC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000120351174 326251812 /nfs/dbraw/zinc/25/18/12/326251812.db2.gz ARHIIUZUXCLNHR-UHFFFAOYSA-N 0 3 372.473 2.356 10 0 FEAEHN CC[C@H]1CN(Cc2cc(OC)c3c(c2)OCCO3)CCN1CCOC ZINC000120928293 326299633 /nfs/dbraw/zinc/29/96/33/326299633.db2.gz CAEPDERWMQZMBS-INIZCTEOSA-N 0 3 350.459 2.009 10 0 FEAEHN CC[C@H]1CN(Cc2cc(OC)c(OC)cc2OC)CCN1CCOC ZINC000120946158 326301291 /nfs/dbraw/zinc/30/12/91/326301291.db2.gz XAJNFOPDBCCASA-INIZCTEOSA-N 0 3 352.475 2.255 10 0 FEAEHN Cc1nccn1CCCCN1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000120957458 326302471 /nfs/dbraw/zinc/30/24/71/326302471.db2.gz DDAHDFPVGUDIMZ-FQEVSTJZSA-N 0 3 372.513 2.029 10 0 FEAEHN CCOCCN1CCN(Cc2ccccc2N2CCOCC2)C[C@@H]1CC ZINC000121010609 326306122 /nfs/dbraw/zinc/30/61/22/326306122.db2.gz RXIACZJWNMKPTL-FQEVSTJZSA-N 0 3 361.530 2.456 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)Nc1cc(F)ccc1OC(F)F ZINC000121507541 326343715 /nfs/dbraw/zinc/34/37/15/326343715.db2.gz TVRPHCPYSYPRBO-LBPRGKRZSA-N 0 3 361.364 2.395 10 0 FEAEHN COc1ccc(C)nc1NC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000126869716 326496493 /nfs/dbraw/zinc/49/64/93/326496493.db2.gz QUFAYOJNLRPGHI-UHFFFAOYSA-N 0 3 372.473 2.223 10 0 FEAEHN CN(C)C[C@H](NC(=O)N[C@@H]1CCN(c2ccccn2)C1)c1ccccc1 ZINC000127147485 326501215 /nfs/dbraw/zinc/50/12/15/326501215.db2.gz HIFINQPZQPNCNX-MSOLQXFVSA-N 0 3 353.470 2.262 10 0 FEAEHN CN(C)Cc1cccc(C(=O)N2CCC(N(C)c3cccnn3)CC2)c1 ZINC000156267689 326824231 /nfs/dbraw/zinc/82/42/31/326824231.db2.gz BGHBXKWVHHSSSS-UHFFFAOYSA-N 0 3 353.470 2.279 10 0 FEAEHN CCC[C@H](C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1)N(C)C ZINC000161590568 327003689 /nfs/dbraw/zinc/00/36/89/327003689.db2.gz YPBHJBFLVBVDHA-HXUWFJFHSA-N 0 3 360.546 2.171 10 0 FEAEHN CCC[C@@H](C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1)N(C)C ZINC000161793586 327009404 /nfs/dbraw/zinc/00/94/04/327009404.db2.gz GDHSWZYFOVGPDD-ZWKOTPCHSA-N 0 3 351.466 2.046 10 0 FEAEHN Cc1nn(-c2ccccc2)cc1CCCNC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170831248 327101016 /nfs/dbraw/zinc/10/10/16/327101016.db2.gz CJEPVRRHARJXAM-LJQANCHMSA-N 0 3 355.486 2.459 10 0 FEAEHN CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H](N(C)C)C2)cc1Cl ZINC000170844758 327102337 /nfs/dbraw/zinc/10/23/37/327102337.db2.gz IFMLMDFHYRDIAD-ZDUSSCGKSA-N 0 3 353.850 2.228 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC000170854818 327102698 /nfs/dbraw/zinc/10/26/98/327102698.db2.gz SLXDLKXIWAFPFK-SJORKVTESA-N 0 3 361.486 2.285 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000170858347 327103032 /nfs/dbraw/zinc/10/30/32/327103032.db2.gz GDTJSIMESOYEDT-LBPRGKRZSA-N 0 3 364.496 2.162 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)/C=C/c2ccc(I)o2)C1 ZINC000170863525 327103833 /nfs/dbraw/zinc/10/38/33/327103833.db2.gz DRVNHKQMIFGGSK-RWCYGVJQSA-N 0 3 360.195 2.060 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CNCCc1ccccc1O ZINC000171135349 327120105 /nfs/dbraw/zinc/12/01/05/327120105.db2.gz PVPNOXBNLALTKN-UHFFFAOYSA-N 0 3 358.486 2.418 10 0 FEAEHN O[C@@H](COCc1ccc(Cl)cc1)CN1CCC(C2OCCO2)CC1 ZINC000171236835 327126644 /nfs/dbraw/zinc/12/66/44/327126644.db2.gz YKFLNBAFVNOCRX-QGZVFWFLSA-N 0 3 355.862 2.302 10 0 FEAEHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCCc2ccccc2C1 ZINC000171593394 327147013 /nfs/dbraw/zinc/14/70/13/327147013.db2.gz CVVYTOPNLWFJMM-KRWDZBQOSA-N 0 3 350.418 2.092 10 0 FEAEHN O=C1c2ccccc2C(=O)N1CCN1CC[C@@H](CNc2ccccn2)C1 ZINC000171648223 327151522 /nfs/dbraw/zinc/15/15/22/327151522.db2.gz NZNITWDRVADVHM-HNNXBMFYSA-N 0 3 350.422 2.112 10 0 FEAEHN CN1C(=O)CC[C@@H](C(=O)NC2CCN(C3CC3)CC2)[C@H]1c1ccccc1 ZINC000171794073 327161829 /nfs/dbraw/zinc/16/18/29/327161829.db2.gz AUZQZFNXPAJFIE-UYAOXDASSA-N 0 3 355.482 2.339 10 0 FEAEHN O=C(Nc1cc(Cl)ccc1N1CCOCC1)N1CCN2CCC[C@H]2C1 ZINC000171886708 327167579 /nfs/dbraw/zinc/16/75/79/327167579.db2.gz BNIJBTMKVHHZJI-HNNXBMFYSA-N 0 3 364.877 2.489 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NCc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000172047226 327177765 /nfs/dbraw/zinc/17/77/65/327177765.db2.gz OHHMOQZSDPNEDP-CQSZACIVSA-N 0 3 361.364 2.057 10 0 FEAEHN CN1C(=O)C[C@H](C(=O)N2CCN3CCC[C@@H]3C2)[C@@H]1c1cccc(Cl)c1 ZINC000172217336 327187720 /nfs/dbraw/zinc/18/77/20/327187720.db2.gz VZAWFYFSMXDHKT-RYRKJORJSA-N 0 3 361.873 2.166 10 0 FEAEHN CO[C@H](CNC(=O)NC[C@H](O)CN1CCCCC1)c1cccc(Cl)c1 ZINC000173436602 327257045 /nfs/dbraw/zinc/25/70/45/327257045.db2.gz JWORWIJKSDBMTI-DLBZAZTESA-N 0 3 369.893 2.174 10 0 FEAEHN COc1ccc(Cl)cc1NC(=O)CCN1CC[C@H](N2CCOCC2)C1 ZINC000173937286 327295898 /nfs/dbraw/zinc/29/58/98/327295898.db2.gz NAMFMRKEQQJNOE-HNNXBMFYSA-N 0 3 367.877 2.084 10 0 FEAEHN CN1CCC(C(=O)N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)CC1 ZINC000174653547 327341712 /nfs/dbraw/zinc/34/17/12/327341712.db2.gz KCMVLSHMGHLANG-UHFFFAOYSA-N 0 3 368.481 2.328 10 0 FEAEHN CCNC(=O)N1CCc2ccc(NC(=O)N[C@H]3CCCN(CC)C3)cc21 ZINC000174858512 327355700 /nfs/dbraw/zinc/35/57/00/327355700.db2.gz IVKZMKZBJJJZLD-INIZCTEOSA-N 0 3 359.474 2.384 10 0 FEAEHN Cc1cnc([C@@H](NC(=O)NC[C@@H](O)CN2CCCCC2)C2CC2)s1 ZINC000175880822 327419300 /nfs/dbraw/zinc/41/93/00/327419300.db2.gz HWISAGGMCICAEU-CABCVRRESA-N 0 3 352.504 2.049 10 0 FEAEHN CCn1cnnc1C1CCN(CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000177059656 327494489 /nfs/dbraw/zinc/49/44/89/327494489.db2.gz BOPGWHIUPIRYSN-UHFFFAOYSA-N 0 3 360.437 2.228 10 0 FEAEHN CCn1cc(C(=O)N(C)CC2CCN(C[C@H](O)c3ccccc3)CC2)cn1 ZINC000177469494 327524869 /nfs/dbraw/zinc/52/48/69/327524869.db2.gz MIIIMAAJGAXRLA-FQEVSTJZSA-N 0 3 370.497 2.421 10 0 FEAEHN C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCO[C@@H](CN(C)C)C1 ZINC000246389806 328613580 /nfs/dbraw/zinc/61/35/80/328613580.db2.gz PFRLGFZFVWUJBG-WFASDCNBSA-N 0 3 359.392 2.295 10 0 FEAEHN CCC[C@H](C(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)N(C)C ZINC000252734219 328795503 /nfs/dbraw/zinc/79/55/03/328795503.db2.gz HSIYZRSHABUDAH-UXLLHSPISA-N 0 3 351.878 2.458 10 0 FEAEHN CC(C)c1noc(-c2ccccc2-c2nc([C@H]3CNCCN3C)no2)n1 ZINC000263184902 328922953 /nfs/dbraw/zinc/92/29/53/328922953.db2.gz HDUVMWVKMPFSSC-CQSZACIVSA-N 0 3 354.414 2.486 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2cnc(Cc3ccc(F)cc3)s2)n1 ZINC000263287671 328930591 /nfs/dbraw/zinc/93/05/91/328930591.db2.gz VIANGXDGYGCTHC-ZDUSSCGKSA-N 0 3 359.430 2.499 10 0 FEAEHN CCOc1ccccc1NC(=O)N1CCN(c2cc(N(C)C)cnn2)CC1 ZINC000224313106 535526446 /nfs/dbraw/zinc/52/64/46/535526446.db2.gz MGEKQXWIBYVNOH-UHFFFAOYSA-N 0 3 370.457 2.295 10 0 FEAEHN Cc1ccc(CN2C[C@H](C(=O)N3C[C@@H]4CCCN4C[C@H]3C)CC2=O)cc1 ZINC000247559576 549357220 /nfs/dbraw/zinc/35/72/20/549357220.db2.gz ZXZMYIXLCXTOGS-QRQLOZEOSA-N 0 3 355.482 2.039 10 0 FEAEHN C[C@@H]1CC[C@H](C(=O)Nc2ccc(NC(=O)NC3CCN(C)CC3)cc2)O1 ZINC000155627112 545551260 /nfs/dbraw/zinc/55/12/60/545551260.db2.gz LZUAZNGKJVHPBM-CXAGYDPISA-N 0 3 360.458 2.408 10 0 FEAEHN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000155772575 545568089 /nfs/dbraw/zinc/56/80/89/545568089.db2.gz QWQLOFNPEFLYAQ-WDSOQIARSA-N 0 3 359.514 2.359 10 0 FEAEHN CCc1noc([C@@H](C)N2CCN(C(=O)c3cccc(CN(C)C)c3)CC2)n1 ZINC000156405685 545625785 /nfs/dbraw/zinc/62/57/85/545625785.db2.gz YGEGVRZRQZGXBH-OAHLLOKOSA-N 0 3 371.485 2.213 10 0 FEAEHN Cc1cc(C(=O)N2CCO[C@H](CN(C)C)C2)c(C)cc1Br ZINC000157091607 545699596 /nfs/dbraw/zinc/69/95/96/545699596.db2.gz ZWUAPWPQZIUGOI-CYBMUJFWSA-N 0 3 355.276 2.469 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccccc2OCC(F)F)C1 ZINC000158774469 545894218 /nfs/dbraw/zinc/89/42/18/545894218.db2.gz PQYUFAMNZFDERU-OCCSQVGLSA-N 0 3 369.412 2.114 10 0 FEAEHN CC[C@@H](OC1CCCC1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000159270960 545937914 /nfs/dbraw/zinc/93/79/14/545937914.db2.gz QXCNIGVZIAYDTD-AZUAARDMSA-N 0 3 360.498 2.260 10 0 FEAEHN COc1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ccc1C ZINC000159279789 545938275 /nfs/dbraw/zinc/93/82/75/545938275.db2.gz XUOQVPWRCNOVAH-IBGZPJMESA-N 0 3 354.450 2.153 10 0 FEAEHN O=[S@@](CCNC[C@H](O)COc1ccccc1)c1ccc(Cl)cc1 ZINC000169345717 546159110 /nfs/dbraw/zinc/15/91/10/546159110.db2.gz HTMNZNNFZCIVGO-WNSKOXEYSA-N 0 3 353.871 2.477 10 0 FEAEHN COC(=O)[C@@H]1CCCN(C[C@H](O)COc2cccc(Br)c2)C1 ZINC000171059418 546189115 /nfs/dbraw/zinc/18/91/15/546189115.db2.gz PHCHEZYBCPTKIL-OCCSQVGLSA-N 0 3 372.259 2.074 10 0 FEAEHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CC[C@@H](Cc2ccccc2)C1 ZINC000172854391 546268679 /nfs/dbraw/zinc/26/86/79/546268679.db2.gz OLYUPOQNFWRFEB-ROUUACIJSA-N 0 3 364.445 2.208 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000176144161 546413605 /nfs/dbraw/zinc/41/36/05/546413605.db2.gz IIZWJURNABRAIC-SFHVURJKSA-N 0 3 366.550 2.147 10 0 FEAEHN CCN1CCC[C@H]1CN(C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000176288313 546427453 /nfs/dbraw/zinc/42/74/53/546427453.db2.gz AKNTWJYNPCADOI-HNAYVOBHSA-N 0 3 361.486 2.225 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000176362467 546436313 /nfs/dbraw/zinc/43/63/13/546436313.db2.gz KKWBZBYKJRXABS-HNNXBMFYSA-N 0 3 354.476 2.006 10 0 FEAEHN CC[C@@H](CNC(=O)NC[C@@H](O)CN1CCCCC1)Oc1ccccc1C ZINC000176905372 546504988 /nfs/dbraw/zinc/50/49/88/546504988.db2.gz AQVMPICWGDUCJU-MSOLQXFVSA-N 0 3 363.502 2.298 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CCCNC(=O)c1ccc(F)cc1F ZINC000177039777 546529091 /nfs/dbraw/zinc/52/90/91/546529091.db2.gz VDCNKNUZFDLURQ-OAHLLOKOSA-N 0 3 367.440 2.418 10 0 FEAEHN CCc1cc2c(C[N@@H+]3C[C@H](C)[C@H](N4CCOCC4)C3)cc(=O)oc2cc1[O-] ZINC000177271421 546582901 /nfs/dbraw/zinc/58/29/01/546582901.db2.gz QMZBRNACKSTWEJ-KBXCAEBGSA-N 0 3 372.465 2.214 10 0 FEAEHN CCc1cc2c(C[N@H+]3C[C@H](C)[C@H](N4CCOCC4)C3)cc(=O)oc2cc1[O-] ZINC000177271421 546582906 /nfs/dbraw/zinc/58/29/06/546582906.db2.gz QMZBRNACKSTWEJ-KBXCAEBGSA-N 0 3 372.465 2.214 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1ccccc1CN1CCOCC1 ZINC000177310772 546592524 /nfs/dbraw/zinc/59/25/24/546592524.db2.gz NHKOWEVBHHDVHK-FQEVSTJZSA-N 0 3 374.529 2.145 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC1CCN(C(=O)c2ccco2)CC1 ZINC000177339517 546597721 /nfs/dbraw/zinc/59/77/21/546597721.db2.gz QEEKJLFVZDLEAP-MRXNPFEDSA-N 0 3 362.474 2.010 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000177366573 546601964 /nfs/dbraw/zinc/60/19/64/546601964.db2.gz QZOMYNUAXDHROB-GOSISDBHSA-N 0 3 358.486 2.439 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1ccc(-n2ccnc2C)nc1 ZINC000177396342 546609872 /nfs/dbraw/zinc/60/98/72/546609872.db2.gz NZXIAKHFULIBRL-QGZVFWFLSA-N 0 3 356.474 2.201 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000177422827 546615213 /nfs/dbraw/zinc/61/52/13/546615213.db2.gz YWOOGNCSWMBOFN-UYAOXDASSA-N 0 3 359.514 2.127 10 0 FEAEHN O=C(Nc1ccc(F)c(C(F)(F)F)c1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177696104 546669151 /nfs/dbraw/zinc/66/91/51/546669151.db2.gz IZQYFRFJVOOUGG-LLVKDONJSA-N 0 3 359.323 2.090 10 0 FEAEHN Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177692079 546669216 /nfs/dbraw/zinc/66/92/16/546669216.db2.gz UFJDKFWENYFPJB-GOSISDBHSA-N 0 3 364.449 2.302 10 0 FEAEHN CCN1CCC[C@H]1CN(C)[C@@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000177699847 546670622 /nfs/dbraw/zinc/67/06/22/546670622.db2.gz HFQDCIWDNFJNGP-DZGCQCFKSA-N 0 3 365.499 2.056 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000178286541 546769266 /nfs/dbraw/zinc/76/92/66/546769266.db2.gz LOSKTFFKRYWYPX-KRWDZBQOSA-N 0 3 362.499 2.106 10 0 FEAEHN COc1cc(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)ccc1OC(=O)C1CC1 ZINC000180229244 547070266 /nfs/dbraw/zinc/07/02/66/547070266.db2.gz YDFMMCWMSNEAGO-YJBOKZPZSA-N 0 3 374.481 2.163 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cn(-c2ccccc2)nc1C ZINC000180329234 547085496 /nfs/dbraw/zinc/08/54/96/547085496.db2.gz HHWGVTMFLJTVJP-QGZVFWFLSA-N 0 3 369.469 2.062 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000180409433 547104518 /nfs/dbraw/zinc/10/45/18/547104518.db2.gz XYKLVTPJHUCWSO-OAHLLOKOSA-N 0 3 357.458 2.108 10 0 FEAEHN C[C@@H](NCCC(=O)OCc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000181563695 547336730 /nfs/dbraw/zinc/33/67/30/547336730.db2.gz QFRSLDJNHSOOSM-CQSZACIVSA-N 0 3 362.451 2.118 10 0 FEAEHN COc1ccccc1C[C@@H](C)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182356511 547478798 /nfs/dbraw/zinc/47/87/98/547478798.db2.gz AFZQLZMGVCHJLJ-RHSMWYFYSA-N 0 3 356.470 2.453 10 0 FEAEHN Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC[C@H](Cn3cncn3)C2)c1 ZINC000182388866 547483856 /nfs/dbraw/zinc/48/38/56/547483856.db2.gz SDIBVLLLWUAOBL-HOTGVXAUSA-N 0 3 364.877 2.392 10 0 FEAEHN C[C@H](NCC(=O)Nc1ccccc1I)[C@H]1CCCO1 ZINC000183139446 547609047 /nfs/dbraw/zinc/60/90/47/547609047.db2.gz PIGWPUIZUWUXOG-GXFFZTMASA-N 0 3 374.222 2.387 10 0 FEAEHN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N[C@@H](C)[C@@H]2CCCO2)c1 ZINC000183152238 547611214 /nfs/dbraw/zinc/61/12/14/547611214.db2.gz CSESOLAZNSQILQ-WSMBLCCSSA-N 0 3 350.459 2.427 10 0 FEAEHN CC1(C)CCc2ccccc2[C@@H]1NCC(=O)NCCCN1CCCC1=O ZINC000183212141 547622078 /nfs/dbraw/zinc/62/20/78/547622078.db2.gz URGLXWPBIGBSSL-FQEVSTJZSA-N 0 3 357.498 2.418 10 0 FEAEHN COC(=O)c1cn(C2CCN(Cc3ccc4ccccc4n3)CC2)nn1 ZINC000183716243 547706536 /nfs/dbraw/zinc/70/65/36/547706536.db2.gz ZROCDKLZSBAGEF-UHFFFAOYSA-N 0 3 351.410 2.450 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2csc(-c3ccc(F)c(F)c3)n2)CCO1 ZINC000183821300 547725817 /nfs/dbraw/zinc/72/58/17/547725817.db2.gz SXQGSQBABMNMSY-GFCCVEGCSA-N 0 3 367.421 2.491 10 0 FEAEHN CCOC(=O)c1cn(C)nc1NC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000184023905 547756446 /nfs/dbraw/zinc/75/64/46/547756446.db2.gz BKQZSFMODHKSSK-OAHLLOKOSA-N 0 3 359.430 2.021 10 0 FEAEHN CCn1cnnc1[C@@H]1CCCN(Cc2cc(-c3cnn(C)c3C)no2)C1 ZINC000184496969 547836907 /nfs/dbraw/zinc/83/69/07/547836907.db2.gz DOBDZSOETRRTFT-CQSZACIVSA-N 0 3 355.446 2.375 10 0 FEAEHN Cc1nnc(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)s1 ZINC000185433579 547984372 /nfs/dbraw/zinc/98/43/72/547984372.db2.gz KBBWLGDGSRXINR-INIZCTEOSA-N 0 3 360.483 2.022 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1nc2cc(OC)ccc2n1C ZINC000186079368 548081350 /nfs/dbraw/zinc/08/13/50/548081350.db2.gz CHSBPXQLIVBKQJ-AWEZNQCLSA-N 0 3 359.474 2.208 10 0 FEAEHN COC(=O)c1ccccc1CCN1CCCN(c2ccc(C)nn2)CC1 ZINC000186963460 548228705 /nfs/dbraw/zinc/22/87/05/548228705.db2.gz BTGJPHRCSQEUTB-UHFFFAOYSA-N 0 3 354.454 2.326 10 0 FEAEHN CCN1CCC[C@H](NC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000194156887 548443318 /nfs/dbraw/zinc/44/33/18/548443318.db2.gz OUYKGAKTIJNSFY-IBGZPJMESA-N 0 3 372.513 2.212 10 0 FEAEHN CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCN(CC)C1 ZINC000194657354 548511726 /nfs/dbraw/zinc/51/17/26/548511726.db2.gz ZXLPPYSKFUWSCD-AEFFLSMTSA-N 0 3 373.497 2.290 10 0 FEAEHN COCc1noc([C@H](C)N2CC[C@@H](CN(C)Cc3scnc3C)C2)n1 ZINC000195259809 548606674 /nfs/dbraw/zinc/60/66/74/548606674.db2.gz FVMBQXCCBIPJBJ-KBPBESRZSA-N 0 3 365.503 2.496 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(CC(=O)N(C)Cc2ccccc2)C1 ZINC000195281965 548611256 /nfs/dbraw/zinc/61/12/56/548611256.db2.gz HGSPMGGXOLNSLA-OAQYLSRUSA-N 0 3 366.509 2.494 10 0 FEAEHN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCN4CCC[C@H]4C3)n2)n1 ZINC000195323071 548622722 /nfs/dbraw/zinc/62/27/22/548622722.db2.gz YEIDZHNSCGCPMM-AWEZNQCLSA-N 0 3 359.861 2.458 10 0 FEAEHN O=C(CCNC(=O)c1ccc2ccccc2c1)N1CCN2CCC[C@H]2C1 ZINC000195329076 548625266 /nfs/dbraw/zinc/62/52/66/548625266.db2.gz JXGPITMLTSWAMT-IBGZPJMESA-N 0 3 351.450 2.266 10 0 FEAEHN Cc1cc(-c2noc(CCC(=O)N3CCN4CCC[C@@H]4C3)n2)ccc1F ZINC000195336525 548627126 /nfs/dbraw/zinc/62/71/26/548627126.db2.gz RTGOPBNJMYENPF-OAHLLOKOSA-N 0 3 358.417 2.423 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C[C@@H](NC(C)=O)c1ccc(F)cc1F ZINC000245429213 548916225 /nfs/dbraw/zinc/91/62/25/548916225.db2.gz KCLBSYYMSOTLEP-MAUKXSAKSA-N 0 3 367.440 2.475 10 0 FEAEHN C[C@H](O)CN1CCN(CCOc2ccccc2Br)C[C@H]1C ZINC000245515170 548937230 /nfs/dbraw/zinc/93/72/30/548937230.db2.gz GZVJUQBZPVZQOB-KGLIPLIRSA-N 0 3 357.292 2.215 10 0 FEAEHN CCC[C@H](C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)N(C)C ZINC000245639929 548963570 /nfs/dbraw/zinc/96/35/70/548963570.db2.gz AUBSNJJPWDWORO-UXHICEINSA-N 0 3 360.546 2.212 10 0 FEAEHN C[C@@H]1CCCN(CCNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)C1 ZINC000245694205 548976687 /nfs/dbraw/zinc/97/66/87/548976687.db2.gz XUUZCQMJRHKTDA-LJHODMEESA-N 0 3 361.461 2.193 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)C1 ZINC000245747865 548987802 /nfs/dbraw/zinc/98/78/02/548987802.db2.gz ANFWQCUQWJMVQV-ZACQAIPSSA-N 0 3 350.894 2.431 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000245754253 548988664 /nfs/dbraw/zinc/98/86/64/548988664.db2.gz HGFGZGRAQRRIIO-HUUCEWRRSA-N 0 3 354.292 2.392 10 0 FEAEHN CCn1cc(CN2CCCN(C(=O)[C@H](C)N3[C@H](C)CC[C@H]3C)CC2)cn1 ZINC000245790762 548994456 /nfs/dbraw/zinc/99/44/56/548994456.db2.gz BBVDMMYXYYYBHY-KURKYZTESA-N 0 3 361.534 2.199 10 0 FEAEHN Cc1nc(C[C@H]2CCCN(C[C@@H](O)COCc3ccccc3F)C2)no1 ZINC000245849952 549004226 /nfs/dbraw/zinc/00/42/26/549004226.db2.gz LHXWDIZLNFXIRN-NVXWUHKLSA-N 0 3 363.433 2.349 10 0 FEAEHN CN(C[C@H](O)COCc1ccccc1F)[C@H]1CCCN(c2cccnn2)C1 ZINC000246206850 549077927 /nfs/dbraw/zinc/07/79/27/549077927.db2.gz AAFHODWCNZJNAK-ROUUACIJSA-N 0 3 374.460 2.094 10 0 FEAEHN CCOCCN1CCN(C[C@@H](O)COc2cc(C)cc(C)c2)C[C@H]1CC ZINC000246207369 549078163 /nfs/dbraw/zinc/07/81/63/549078163.db2.gz AEWVYXRFVUVRIV-WOJBJXKFSA-N 0 3 364.530 2.476 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(OCC3CC3)cc2)C1 ZINC000246277428 549094979 /nfs/dbraw/zinc/09/49/79/549094979.db2.gz BFEWMXHKVQMDBL-KBXCAEBGSA-N 0 3 359.470 2.259 10 0 FEAEHN CC[C@@H]1CN(C[C@@H](O)Cc2ccccc2C(F)(F)F)CCN1C[C@@H](C)O ZINC000246316312 549103820 /nfs/dbraw/zinc/10/38/20/549103820.db2.gz XUQGDCJJIOKLBJ-OIISXLGYSA-N 0 3 374.447 2.386 10 0 FEAEHN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c(F)c1 ZINC000246505969 549149062 /nfs/dbraw/zinc/14/90/62/549149062.db2.gz SJHWUSKOIVHSAS-SUMWQHHRSA-N 0 3 365.449 2.396 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000246716502 549194190 /nfs/dbraw/zinc/19/41/90/549194190.db2.gz FNTYDKGAYUPPMX-LSDHHAIUSA-N 0 3 370.291 2.266 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1 ZINC000246739076 549199884 /nfs/dbraw/zinc/19/98/84/549199884.db2.gz AWMMRHAHNFMASX-VQIMIIECSA-N 0 3 372.513 2.319 10 0 FEAEHN Cc1cccc(OC[C@@H](O)CN(C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000246746646 549203077 /nfs/dbraw/zinc/20/30/77/549203077.db2.gz XDUXLRCOLNNFES-ROUUACIJSA-N 0 3 356.470 2.126 10 0 FEAEHN O[C@@H](Cc1ccccc1C(F)(F)F)CN1CC[C@@H](N2CCOCC2)C1 ZINC000246770124 549207786 /nfs/dbraw/zinc/20/77/86/549207786.db2.gz RFIZHALBXVGONK-CVEARBPZSA-N 0 3 358.404 2.015 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1CC(=O)N[C@H]1CCOc2ccccc21 ZINC000246923843 549243765 /nfs/dbraw/zinc/24/37/65/549243765.db2.gz GROIALURYIZNKQ-AEFFLSMTSA-N 0 3 354.454 2.296 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000246927045 549244180 /nfs/dbraw/zinc/24/41/80/549244180.db2.gz BSRNURPELBTSEQ-SJORKVTESA-N 0 3 357.433 2.164 10 0 FEAEHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247009718 549264506 /nfs/dbraw/zinc/26/45/06/549264506.db2.gz ZBYAGXUNAXTDCE-ARFHVFGLSA-N 0 3 351.491 2.186 10 0 FEAEHN Cc1ccc(-n2cnnc2SCC(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1 ZINC000247017882 549264999 /nfs/dbraw/zinc/26/49/99/549264999.db2.gz GAQUWNYVWRIXCL-WBVHZDCISA-N 0 3 371.510 2.363 10 0 FEAEHN COc1ccc(COC[C@H](O)CN2CCC[C@H](n3cc(C)cn3)C2)cc1 ZINC000247582076 549362083 /nfs/dbraw/zinc/36/20/83/549362083.db2.gz IMUQCQPVFARRPU-RBUKOAKNSA-N 0 3 359.470 2.415 10 0 FEAEHN C[C@H](O)CN1CCN(C[C@H](O)COc2ccc(C(C)(C)C)cc2)C[C@H]1C ZINC000247777493 549380401 /nfs/dbraw/zinc/38/04/01/549380401.db2.gz RBBSDAZRDKVQAX-AOIWGVFYSA-N 0 3 364.530 2.111 10 0 FEAEHN O[C@H](COc1cccc(Br)c1)CN1CCN2CCCC[C@H]2C1 ZINC000248344021 549420935 /nfs/dbraw/zinc/42/09/35/549420935.db2.gz LATQGIMCHPBVIM-HOTGVXAUSA-N 0 3 369.303 2.359 10 0 FEAEHN O=C(CCN1CCN2CCCC[C@H]2C1)Nc1ccc(N2CCCC2=O)cc1 ZINC000248339512 549421157 /nfs/dbraw/zinc/42/11/57/549421157.db2.gz IEYOJXBINOYJHC-IBGZPJMESA-N 0 3 370.497 2.312 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(OC)c(F)c1C ZINC000248387973 549425569 /nfs/dbraw/zinc/42/55/69/549425569.db2.gz QBPBLAASGFHUPP-KGLIPLIRSA-N 0 3 356.463 2.390 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000248428724 549435216 /nfs/dbraw/zinc/43/52/16/549435216.db2.gz PGZOODNJTGAMPC-NEPJUHHUSA-N 0 3 363.405 2.348 10 0 FEAEHN COc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)nc1Br ZINC000248443560 549439115 /nfs/dbraw/zinc/43/91/15/549439115.db2.gz LMFCKKLYIGXUAR-MNOVXSKESA-N 0 3 354.248 2.161 10 0 FEAEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(CC(=O)N3CCCCC3)C[C@@H]12 ZINC000248605210 549466935 /nfs/dbraw/zinc/46/69/35/549466935.db2.gz OWDXNUGRVHFOJO-BZUAXINKSA-N 0 3 351.491 2.234 10 0 FEAEHN CCO[C@@H]1C[C@H](N[C@H](Cc2ccc(Cl)cc2)C(N)=O)C12CCOCC2 ZINC000248633860 549472473 /nfs/dbraw/zinc/47/24/73/549472473.db2.gz JGLDDBLZSYGLEW-IXDOHACOSA-N 0 3 366.889 2.300 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ncc(C(C)C)s1 ZINC000248681674 549482738 /nfs/dbraw/zinc/48/27/38/549482738.db2.gz WVVDECGXVQDNPA-OLZOCXBDSA-N 0 3 350.488 2.290 10 0 FEAEHN Cc1c(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cnn1C1CCCC1 ZINC000248720851 549490347 /nfs/dbraw/zinc/49/03/47/549490347.db2.gz FLNUFILFTXSQTJ-DYVFJYSZSA-N 0 3 361.490 2.090 10 0 FEAEHN C[C@H](NC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)[C@H]1CCCO1 ZINC000248879489 549520299 /nfs/dbraw/zinc/52/02/99/549520299.db2.gz PQYXFOHWISWQPX-YSIASYRMSA-N 0 3 374.529 2.232 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000249126713 549557388 /nfs/dbraw/zinc/55/73/88/549557388.db2.gz CLPQWJOSPVTXJW-WFASDCNBSA-N 0 3 368.437 2.339 10 0 FEAEHN CSCCc1ccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1 ZINC000249154999 549562846 /nfs/dbraw/zinc/56/28/46/549562846.db2.gz ICUZZFKLLUMFQM-YOEHRIQHSA-N 0 3 361.511 2.226 10 0 FEAEHN CC(C)n1ncc2ccc(NC(=O)C(=O)N3C[C@@H]4CCCN4C[C@@H]3C)cc21 ZINC000249192540 549567252 /nfs/dbraw/zinc/56/72/52/549567252.db2.gz POCYFEKBBRCUJX-YOEHRIQHSA-N 0 3 369.469 2.251 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000249197493 549567903 /nfs/dbraw/zinc/56/79/03/549567903.db2.gz QHUGXZJLJDRTIB-HOCLYGCPSA-N 0 3 374.460 2.060 10 0 FEAEHN CCCOc1cccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2CC)c1 ZINC000249257031 549573292 /nfs/dbraw/zinc/57/32/92/549573292.db2.gz YPCVKORTCPJKJZ-IAGOWNOFSA-N 0 3 359.470 2.499 10 0 FEAEHN CC(C)OCc1ccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1 ZINC000249263641 549574090 /nfs/dbraw/zinc/57/40/90/549574090.db2.gz ZGGKNDRTECBFJF-YJBOKZPZSA-N 0 3 359.470 2.245 10 0 FEAEHN NC1(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)CCOCC1 ZINC000261657082 549739762 /nfs/dbraw/zinc/73/97/62/549739762.db2.gz AVKWIKKRQXNLPL-UHFFFAOYSA-N 0 3 352.862 2.012 10 0 FEAEHN CCC[C@H](N)C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1 ZINC000262645669 549835215 /nfs/dbraw/zinc/83/52/15/549835215.db2.gz NNHWRNPPHQHLSI-SFHVURJKSA-N 0 3 354.454 2.244 10 0 FEAEHN N[C@@H](C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000262661957 549836398 /nfs/dbraw/zinc/83/63/98/549836398.db2.gz GPLMMPUIFUFCPF-LEWJYISDSA-N 0 3 367.493 2.248 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000262703658 549840826 /nfs/dbraw/zinc/84/08/26/549840826.db2.gz KNALTBXZGLOSSR-IAOVAPTHSA-N 0 3 353.894 2.203 10 0 FEAEHN CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3CC(F)(F)CN3)c2)CC1 ZINC000263184057 549883946 /nfs/dbraw/zinc/88/39/46/549883946.db2.gz HBBVZPVEJZZPAQ-INIZCTEOSA-N 0 3 352.429 2.153 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2cccc(-c3noc(C4CC4)n3)c2)n1 ZINC000263219954 549886597 /nfs/dbraw/zinc/88/65/97/549886597.db2.gz LSELRBZIWAXTBN-AWEZNQCLSA-N 0 3 352.398 2.240 10 0 FEAEHN CC(=O)Nc1ccc(S[C@H](C)c2nc([C@H]3CNCCN3C)no2)cc1 ZINC000263239880 549888305 /nfs/dbraw/zinc/88/83/05/549888305.db2.gz OLZZTMYNARJOHD-IAQYHMDHSA-N 0 3 361.471 2.457 10 0 FEAEHN C[C@@H](N)C(=O)Nc1cc(I)ccc1Br ZINC000300997151 553617715 /nfs/dbraw/zinc/61/77/15/553617715.db2.gz WPTIQTNBWPKEOD-RXMQYKEDSA-N 0 3 369.000 2.339 10 0 FEAEHN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000375473827 558033927 /nfs/dbraw/zinc/03/39/27/558033927.db2.gz XHIRDZRLKFARAG-ABUMYXEMSA-N 0 3 352.519 2.322 10 0 FEAEHN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@@H]1[C@H]1COCC[C@]1(C)O ZINC000375473834 558033971 /nfs/dbraw/zinc/03/39/71/558033971.db2.gz XHIRDZRLKFARAG-MILRCDJXSA-N 0 3 352.519 2.322 10 0 FEAEHN CCN1CC[C@H](NC(=O)c2ccc(F)cc2I)C1 ZINC000389950063 558610107 /nfs/dbraw/zinc/61/01/07/558610107.db2.gz DIFSNACCVHJAIX-JTQLQIEISA-N 0 3 362.186 2.254 10 0 FEAEHN CCn1cc(S(=O)(=O)N[C@H]2CCCN(CC3CCCCC3)C2)cn1 ZINC000072150407 670495348 /nfs/dbraw/zinc/49/53/48/670495348.db2.gz KLFYYKYSPQIWGY-INIZCTEOSA-N 0 3 354.520 2.226 10 0 FEAEHN COCCN1CCN(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000109132639 670837161 /nfs/dbraw/zinc/83/71/61/670837161.db2.gz SMZIMRYEPXFWEL-IRXDYDNUSA-N 0 3 355.523 2.286 10 0 FEAEHN CC[C@@H]1CN(Cn2nc(C3CC3)n(CC)c2=S)CCN1CCOC ZINC000117324460 670914629 /nfs/dbraw/zinc/91/46/29/670914629.db2.gz IQZVUPORODAJTA-OAHLLOKOSA-N 0 3 353.536 2.311 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000171164902 672330177 /nfs/dbraw/zinc/33/01/77/672330177.db2.gz BWJVCNWGDDPYOO-HUUCEWRRSA-N 0 3 354.495 2.027 10 0 FEAEHN C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CN1C1CC1 ZINC000177222032 672381195 /nfs/dbraw/zinc/38/11/95/672381195.db2.gz BVZBZIGIOIOUPE-KBXIAJHMSA-N 0 3 351.491 2.421 10 0 FEAEHN Cc1ncsc1/C=C/C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000188984719 672604477 /nfs/dbraw/zinc/60/44/77/672604477.db2.gz QMROJXIKYGMHKX-LXXRFIIISA-N 0 3 357.479 2.000 10 0 FEAEHN CN(Cc1ccc(Cl)cc1)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000193117801 672713080 /nfs/dbraw/zinc/71/30/80/672713080.db2.gz SHBVPUWWNVGPPB-HNNXBMFYSA-N 0 3 358.825 2.429 10 0 FEAEHN CC[C@H](O)CN1CCN(C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195169659 672777288 /nfs/dbraw/zinc/77/72/88/672777288.db2.gz VZPOJTMYKGLQFU-LPHOPBHVSA-N 0 3 355.523 2.022 10 0 FEAEHN C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CN1C1CC1 ZINC000247035542 672845661 /nfs/dbraw/zinc/84/56/61/672845661.db2.gz UGMJYLJGTIHBHL-QLFBSQMISA-N 0 3 351.491 2.375 10 0 FEAEHN CCc1csc([C@@H]2CCCN(C(=O)c3ccnn3CCN(C)C)C2)n1 ZINC000900705882 690550837 /nfs/dbraw/zinc/55/08/37/690550837.db2.gz NOOUUBSURYMLRI-CQSZACIVSA-N 0 3 361.515 2.483 10 0 FEAEHN C[C@H](OC[C@H](O)CN1CCC[C@@H]1C(=O)N(C)C)c1ccc(Cl)cc1 ZINC000028659436 539835184 /nfs/dbraw/zinc/83/51/84/539835184.db2.gz LJTSMYJORGKPDW-IAOVAPTHSA-N 0 3 354.878 2.331 10 0 FEAEHN CN(C)C[C@H](NC(=O)NCCNC(=O)c1ccccc1)c1ccccc1 ZINC000048216686 540351764 /nfs/dbraw/zinc/35/17/64/540351764.db2.gz LFSBSYGBTRYCTI-SFHVURJKSA-N 0 3 354.454 2.019 10 0 FEAEHN C[C@H](NC(=O)NCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000049305782 540386820 /nfs/dbraw/zinc/38/68/20/540386820.db2.gz XWAGAXVNPRYXIP-AZUAARDMSA-N 0 3 374.529 2.061 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NCc2ccnc(OCC(F)(F)F)c2)C1 ZINC000052523726 540470532 /nfs/dbraw/zinc/47/05/32/540470532.db2.gz JFZYAXACRRHQOV-ZDUSSCGKSA-N 0 3 360.380 2.306 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC(c3nnc4ccccn43)CC2)C1 ZINC000057870621 540820797 /nfs/dbraw/zinc/82/07/97/540820797.db2.gz ZCPHEMRTJJUVFT-INIZCTEOSA-N 0 3 356.474 2.103 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)C1 ZINC000062652413 541153133 /nfs/dbraw/zinc/15/31/33/541153133.db2.gz HCDRSJZXSMSIJQ-SJORKVTESA-N 0 3 373.501 2.234 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 ZINC000067606869 541488340 /nfs/dbraw/zinc/48/83/40/541488340.db2.gz YZCQBMPVGZXVOT-MSOLQXFVSA-N 0 3 374.485 2.088 10 0 FEAEHN Cc1ccc(CN(CCN2CCOCC2)C[C@@H](O)COC(C)C)c(C)c1 ZINC000036098858 205005465 /nfs/dbraw/zinc/00/54/65/205005465.db2.gz AVYNREHZHBEDCJ-OAQYLSRUSA-N 0 3 364.530 2.224 10 0 FEAEHN O[C@H](COCc1ccccc1)CN1CCN(CCc2ccccc2)CC1 ZINC000073125391 541921560 /nfs/dbraw/zinc/92/15/60/541921560.db2.gz XCCHSEVYIICABO-QFIPXVFZSA-N 0 3 354.494 2.424 10 0 FEAEHN CN(C)Cc1ccc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)cc1 ZINC000073310372 541942927 /nfs/dbraw/zinc/94/29/27/541942927.db2.gz ZYVZQGKRPBZNSK-KRWDZBQOSA-N 0 3 358.463 2.397 10 0 FEAEHN CCOC(=O)Cn1c(=O)c2c([nH]c1=S)CCN(Cc1ccccc1)C2 ZINC000103649543 206230408 /nfs/dbraw/zinc/23/04/08/206230408.db2.gz URRPWBHCPUCXQN-UHFFFAOYSA-N 0 3 359.451 2.027 10 0 FEAEHN CCOC(=O)CN1CCC2(CC1)c1ccccc1[C@@H](N1CC=CCC1)[C@@H]2O ZINC000019225133 206334178 /nfs/dbraw/zinc/33/41/78/206334178.db2.gz WDEDZLJMFIAXGY-RTWAWAEBSA-N 0 3 370.493 2.261 10 0 FEAEHN CN(C)C[C@H](NC(=O)C1CCN(C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000097326823 543010126 /nfs/dbraw/zinc/01/01/26/543010126.db2.gz SLJXHLMSDYESOG-IBGZPJMESA-N 0 3 372.513 2.333 10 0 FEAEHN CCCC(=O)N[C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000101769589 543044539 /nfs/dbraw/zinc/04/45/39/543044539.db2.gz SRVIEAZNJKSDHY-ROUUACIJSA-N 0 3 360.502 2.380 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000101983435 543053576 /nfs/dbraw/zinc/05/35/76/543053576.db2.gz QKDNEJXPPORVGI-IAGOWNOFSA-N 0 3 354.539 2.157 10 0 FEAEHN CCC(CC)[C@@H](CNC(=O)N1CCN2CCCC[C@@H]2C1)N1CCOCC1 ZINC000105104754 543159480 /nfs/dbraw/zinc/15/94/80/543159480.db2.gz LVZNQCHNEFADQK-RTBURBONSA-N 0 3 366.550 2.003 10 0 FEAEHN Cc1ccc(C)c(OC[C@@H](O)CN2CCC(N(C)c3cccnn3)CC2)c1 ZINC000106083108 543192317 /nfs/dbraw/zinc/19/23/17/543192317.db2.gz HZEIZDPSERBWPY-IBGZPJMESA-N 0 3 370.497 2.434 10 0 FEAEHN CC(C)N1CCO[C@H](CN2CCN(CCCOc3ccccc3)CC2)C1 ZINC000106123005 543203556 /nfs/dbraw/zinc/20/35/56/543203556.db2.gz UVSDPEDZUACGSS-OAQYLSRUSA-N 0 3 361.530 2.182 10 0 FEAEHN CC(C)n1nnnc1CN(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000106127127 543204948 /nfs/dbraw/zinc/20/49/48/543204948.db2.gz ZSUNIRKQHFKEMM-LJQANCHMSA-N 0 3 372.517 2.131 10 0 FEAEHN Cc1ccc(C)c(OC[C@H](O)CN2CCC[C@H](Cn3cncn3)C2)c1C ZINC000106171522 543211895 /nfs/dbraw/zinc/21/18/95/543211895.db2.gz OFKIOAZCPJEJQI-RBUKOAKNSA-N 0 3 358.486 2.355 10 0 FEAEHN Cc1c([O-])ccc2c(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)cc(=O)oc12 ZINC000106175496 543212959 /nfs/dbraw/zinc/21/29/59/543212959.db2.gz SJWCKUNRQWXSAO-CQSZACIVSA-N 0 3 354.410 2.311 10 0 FEAEHN Cc1c([O-])ccc2c(C[N@H+]3CCC[C@@H](Cn4cncn4)C3)cc(=O)oc12 ZINC000106175496 543212963 /nfs/dbraw/zinc/21/29/63/543212963.db2.gz SJWCKUNRQWXSAO-CQSZACIVSA-N 0 3 354.410 2.311 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000106770394 543245994 /nfs/dbraw/zinc/24/59/94/543245994.db2.gz ZNQRUHBJKQSLNE-HNNXBMFYSA-N 0 3 363.259 2.411 10 0 FEAEHN CC(C)n1ccnc1CS(=O)(=O)C(C)C(=O)NCCc1cccs1 ZINC000107075575 543260912 /nfs/dbraw/zinc/26/09/12/543260912.db2.gz CIHGYDBLIXTNPB-ZDUSSCGKSA-N 0 3 369.512 2.188 10 0 FEAEHN CCOc1ncccc1NC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000109352816 543322430 /nfs/dbraw/zinc/32/24/30/543322430.db2.gz GXOXFNHVBRPBAG-UHFFFAOYSA-N 0 3 372.473 2.305 10 0 FEAEHN CCOc1ccccc1NC(=O)[C@@H](C)N[C@H]1CCc2nc(CC)nn2C1 ZINC000112550559 543451321 /nfs/dbraw/zinc/45/13/21/543451321.db2.gz MTFQUQXNXHKAED-KGLIPLIRSA-N 0 3 357.458 2.171 10 0 FEAEHN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N[C@H]1CCc2ncnn2C1 ZINC000112550135 543451474 /nfs/dbraw/zinc/45/14/74/543451474.db2.gz RRHPBGIXIJGQQJ-RYUDHWBXSA-N 0 3 363.849 2.180 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@H](C)C(=O)N(C)Cc1cccc(F)c1)CC2 ZINC000112551991 543451917 /nfs/dbraw/zinc/45/19/17/543451917.db2.gz NUAPTSHRLWAGDT-RHSMWYFYSA-N 0 3 373.476 2.492 10 0 FEAEHN Cc1nc(NC(=O)[C@H](C)N[C@H]2CCc3nc(C(C)C)nn3C2)sc1C ZINC000112551619 543451924 /nfs/dbraw/zinc/45/19/24/543451924.db2.gz VNPLPUXZNGBQQE-AAEUAGOBSA-N 0 3 362.503 2.406 10 0 FEAEHN C[C@H](Oc1ccccc1)C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000114414158 543514653 /nfs/dbraw/zinc/51/46/53/543514653.db2.gz PCCIUPNRGOHPOO-KRWDZBQOSA-N 0 3 368.481 2.259 10 0 FEAEHN Cc1ccc(NC(=O)CSCC(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1 ZINC000247475613 549340110 /nfs/dbraw/zinc/34/01/10/549340110.db2.gz SDJYNTWIMGFKPV-WBVHZDCISA-N 0 3 361.511 2.362 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)COc2ccccc2Cc2ccccc2)CCO1 ZINC000116790557 543615748 /nfs/dbraw/zinc/61/57/48/543615748.db2.gz BMORRIRTVZBBIY-HXUWFJFHSA-N 0 3 368.477 2.445 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)CCO1 ZINC000116792739 543616045 /nfs/dbraw/zinc/61/60/45/543616045.db2.gz MHUWDLLLQGQAIT-OAHLLOKOSA-N 0 3 363.458 2.276 10 0 FEAEHN CCCCCOc1ccc(S(=O)(=O)N2CCO[C@@H](CN(C)C)C2)cc1 ZINC000116900539 543619371 /nfs/dbraw/zinc/61/93/71/543619371.db2.gz SNVIHIAMNVEAJE-KRWDZBQOSA-N 0 3 370.515 2.207 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NCCc2ccc(C(F)(F)F)cc2)CCO1 ZINC000116928798 543620062 /nfs/dbraw/zinc/62/00/62/543620062.db2.gz VYDVLXFZDBWHFC-OAHLLOKOSA-N 0 3 359.392 2.220 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)C1 ZINC000247486857 549342685 /nfs/dbraw/zinc/34/26/85/549342685.db2.gz WPBPODWRZNSCNW-DJIMGWMZSA-N 0 3 363.527 2.127 10 0 FEAEHN C[C@H](CNC(=O)N[C@@H](C)c1nnc2n1CCCC2)N(C)Cc1ccccc1 ZINC000123607475 543772061 /nfs/dbraw/zinc/77/20/61/543772061.db2.gz NFCIJNRLAPPWQS-CVEARBPZSA-N 0 3 370.501 2.495 10 0 FEAEHN CN(C)C[C@@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1 ZINC000124311095 543813407 /nfs/dbraw/zinc/81/34/07/543813407.db2.gz OKOZJQVUYGJKRD-RTWAWAEBSA-N 0 3 367.493 2.307 10 0 FEAEHN CC(C)Cn1ccc2cc(NC(=O)C(=O)N3CC[C@@H](N(C)C)C3)ccc21 ZINC000124117332 543801259 /nfs/dbraw/zinc/80/12/59/543801259.db2.gz NVXMAYIVWPRBTF-QGZVFWFLSA-N 0 3 356.470 2.398 10 0 FEAEHN CC(C)c1csc([C@@H]2CCCN(CCCN3C(=O)CNC3=O)C2)n1 ZINC000127684205 544007737 /nfs/dbraw/zinc/00/77/37/544007737.db2.gz TUPJNGZBWDRJFV-CYBMUJFWSA-N 0 3 350.488 2.388 10 0 FEAEHN CCC[C@@H](C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1)N(C)C ZINC000131241383 544181445 /nfs/dbraw/zinc/18/14/45/544181445.db2.gz BPZMTRJQIBHEAV-INIZCTEOSA-N 0 3 369.868 2.494 10 0 FEAEHN COc1ccc(CN(C[C@H](O)CN2CCCC2=O)C(C)(C)C)c(OC)c1 ZINC000134858455 544323872 /nfs/dbraw/zinc/32/38/72/544323872.db2.gz DOFMHRRKUIKYFA-MRXNPFEDSA-N 0 3 364.486 2.288 10 0 FEAEHN C[C@@H](O)CN1CCN(CCC(=O)Nc2ccccc2C(F)(F)F)C[C@H]1C ZINC000137127659 544384911 /nfs/dbraw/zinc/38/49/11/544384911.db2.gz VDMHUNSVXWJHCQ-ZIAGYGMSSA-N 0 3 373.419 2.421 10 0 FEAEHN CN1C(=O)C[C@@H](C(=O)NCCN2CCCCCC2)[C@H]1c1ccc(F)cc1 ZINC000152153729 544618815 /nfs/dbraw/zinc/61/88/15/544618815.db2.gz JTAQFIZHLPCKLP-IEBWSBKVSA-N 0 3 361.461 2.337 10 0 FEAEHN COc1cccc(COC[C@H](O)CN2CC[C@H](Oc3cccnc3)C2)c1 ZINC000152301663 544636811 /nfs/dbraw/zinc/63/68/11/544636811.db2.gz MYXHYWAXVSGVDH-XLIONFOSSA-N 0 3 358.438 2.121 10 0 FEAEHN Cc1ccccc1OC[C@@H](O)CN[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000153766016 544819637 /nfs/dbraw/zinc/81/96/37/544819637.db2.gz NPHSAIHSFAOSRI-WBVHZDCISA-N 0 3 363.479 2.489 10 0 FEAEHN CC1CCN(CCNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 ZINC000153528234 544787005 /nfs/dbraw/zinc/78/70/05/544787005.db2.gz CGQXZRGSLHFSMI-MJGOQNOKSA-N 0 3 361.461 2.193 10 0 FEAEHN O[C@H](Cc1ccc(C(F)(F)F)cc1)CN1CC[C@H](N2CCOCC2)C1 ZINC000153560037 544791103 /nfs/dbraw/zinc/79/11/03/544791103.db2.gz LETUJJSMFLGKJM-DLBZAZTESA-N 0 3 358.404 2.015 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1[C@@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000154547190 544919387 /nfs/dbraw/zinc/91/93/87/544919387.db2.gz KBCNFCYBJWAECQ-MAUKXSAKSA-N 0 3 369.469 2.070 10 0 FEAEHN Cc1cc(N2CCC[C@@H](NC3CCN(c4ccccc4)CC3)C2=O)n(C)n1 ZINC000181918815 327752609 /nfs/dbraw/zinc/75/26/09/327752609.db2.gz RENCUPYZJVQGRU-LJQANCHMSA-N 0 3 367.497 2.483 10 0 FEAEHN C[C@@H](NCC(=O)Nc1ccccc1C(=O)NC1CCCC1)[C@@H]1CCCO1 ZINC000183180451 327805677 /nfs/dbraw/zinc/80/56/77/327805677.db2.gz LQDZQUFPEDKMSA-KDOFPFPSSA-N 0 3 359.470 2.455 10 0 FEAEHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187830725 328048995 /nfs/dbraw/zinc/04/89/95/328048995.db2.gz GDWNGCKMBBEQKN-IBGZPJMESA-N 0 3 372.513 2.063 10 0 FEAEHN Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)cc1Br ZINC000188087957 328065059 /nfs/dbraw/zinc/06/50/59/328065059.db2.gz FKUWNMAGKKNDJD-GFCCVEGCSA-N 0 3 368.275 2.167 10 0 FEAEHN CN(C[C@H](O)CN1C(=O)c2ccccc2C1=O)CC1(c2ccccc2)CC1 ZINC000189287987 328139031 /nfs/dbraw/zinc/13/90/31/328139031.db2.gz WWUHCOPDFGKWPU-KRWDZBQOSA-N 0 3 364.445 2.307 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000189438615 328148438 /nfs/dbraw/zinc/14/84/38/328148438.db2.gz CSHZVFPVDCJIBT-ZWKOTPCHSA-N 0 3 364.511 2.052 10 0 FEAEHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H](C)c1cccs1 ZINC000189829529 328170353 /nfs/dbraw/zinc/17/03/53/328170353.db2.gz JMHJNWXMUZFODR-LLVKDONJSA-N 0 3 356.517 2.163 10 0 FEAEHN COC(=O)[C@@H](CC(C)C)NC(=O)CN[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000189898937 328174644 /nfs/dbraw/zinc/17/46/44/328174644.db2.gz WPVSGCBVUXGQCY-MAUKXSAKSA-N 0 3 372.469 2.227 10 0 FEAEHN CCCN1Cc2cccc(NC(=O)C(=O)N3C[C@H]4CCCN4C[C@@H]3C)c2C1 ZINC000190075505 328186086 /nfs/dbraw/zinc/18/60/86/328186086.db2.gz LAPXUYRBTYBWPR-DOTOQJQBSA-N 0 3 370.497 2.046 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000190081118 328186751 /nfs/dbraw/zinc/18/67/51/328186751.db2.gz NCMSSAQWARBVOA-IUODEOHRSA-N 0 3 369.387 2.425 10 0 FEAEHN Cc1ccc([C@@H]2CCCCN2C(=O)C(=O)Nc2ccn(CCN(C)C)n2)o1 ZINC000190210303 328194485 /nfs/dbraw/zinc/19/44/85/328194485.db2.gz ABDUKYHCMFSABO-HNNXBMFYSA-N 0 3 373.457 2.038 10 0 FEAEHN CCC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2CC)cc1 ZINC000190342630 328201278 /nfs/dbraw/zinc/20/12/78/328201278.db2.gz RYXZMQXHUDSAHU-DLBZAZTESA-N 0 3 372.469 2.059 10 0 FEAEHN COc1c(CN2CC[C@@H](CN(C)Cc3scnc3C)C2)c(C)nn1C ZINC000190470012 328209684 /nfs/dbraw/zinc/20/96/84/328209684.db2.gz NITLVXCKSQPOIW-HNNXBMFYSA-N 0 3 363.531 2.456 10 0 FEAEHN COc1ccc(NC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)cn1 ZINC000190495331 328211506 /nfs/dbraw/zinc/21/15/06/328211506.db2.gz LNROYGPWKFYSGL-MRXNPFEDSA-N 0 3 355.442 2.471 10 0 FEAEHN CCCCNC(=O)CN1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190516171 328213049 /nfs/dbraw/zinc/21/30/49/328213049.db2.gz LKFVBABXWXDDFC-MRXNPFEDSA-N 0 3 355.523 2.031 10 0 FEAEHN CN(C)C[C@@H]1CN([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CCO1 ZINC000190527995 328214110 /nfs/dbraw/zinc/21/41/10/328214110.db2.gz ZZLVZYWNUVZCRE-CZUORRHYSA-N 0 3 372.296 2.361 10 0 FEAEHN Cc1ccn2ncc(C(=O)N3CC[C@@H](CN(C)Cc4cccnc4)C3)c2n1 ZINC000190589737 328218212 /nfs/dbraw/zinc/21/82/12/328218212.db2.gz DJEOLFHVGSWAHS-KRWDZBQOSA-N 0 3 364.453 2.027 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2cc(N)nc(Cl)c2)C1 ZINC000190616887 328219858 /nfs/dbraw/zinc/21/98/58/328219858.db2.gz VJSJRLNFJBELMU-CQSZACIVSA-N 0 3 359.861 2.306 10 0 FEAEHN COC(=O)c1ccc(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)cc1 ZINC000190625595 328220373 /nfs/dbraw/zinc/22/03/73/328220373.db2.gz IOANITUUJYXWAG-KRWDZBQOSA-N 0 3 367.449 2.462 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NCCc2nccs2)C1 ZINC000190703577 328226053 /nfs/dbraw/zinc/22/60/53/328226053.db2.gz JIFNPAXYWILNAD-INIZCTEOSA-N 0 3 359.499 2.244 10 0 FEAEHN CC[C@H](COC)NC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000190716387 328227062 /nfs/dbraw/zinc/22/70/62/328227062.db2.gz ZHLHDPBMZYYRFT-LSDHHAIUSA-N 0 3 354.520 2.340 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000192059455 328297457 /nfs/dbraw/zinc/29/74/57/328297457.db2.gz BAGCJXGKZLNHCO-GOEBONIOSA-N 0 3 361.490 2.029 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)CCC(=O)OC(C)(C)C)C1 ZINC000192523255 328323364 /nfs/dbraw/zinc/32/33/64/328323364.db2.gz OIITWLYFFZNZLB-KRWDZBQOSA-N 0 3 361.486 2.484 10 0 FEAEHN CN(C)c1noc(CN(C)CC2CCN(C[C@H](O)c3ccccc3)CC2)n1 ZINC000192713095 328334564 /nfs/dbraw/zinc/33/45/64/328334564.db2.gz KMAZQBAJZCIILG-SFHVURJKSA-N 0 3 373.501 2.013 10 0 FEAEHN C[C@H]1[NH2+]CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000193451849 328376244 /nfs/dbraw/zinc/37/62/44/328376244.db2.gz LDPXRGVNDGSYAY-LDYMZIIASA-N 0 3 351.241 2.007 10 0 FEAEHN Cc1ccc2ncc(C(=O)N[C@@H](CN(C)C)c3ccccc3)c(=O)n2c1 ZINC000028488750 324441356 /nfs/dbraw/zinc/44/13/56/324441356.db2.gz ZUQFMYYDNHZDDE-KRWDZBQOSA-N 0 3 350.422 2.036 10 0 FEAEHN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000083722043 325223757 /nfs/dbraw/zinc/22/37/57/325223757.db2.gz CHSCKZWWAZKBIH-WMLDXEAASA-N 0 3 356.474 2.241 10 0 FEAEHN CCN(C(=O)C(C)S(=O)(=O)Cc1nnc(C)n1CC)C1CCCCC1 ZINC000091049875 325371486 /nfs/dbraw/zinc/37/14/86/325371486.db2.gz QWSMGOBQMBWFGN-ZDUSSCGKSA-N 0 3 370.519 2.091 10 0 FEAEHN Clc1ccc(C2=NO[C@H](CN3CCN(C[C@@H]4CCOC4)CC3)C2)cc1 ZINC000091676175 325389538 /nfs/dbraw/zinc/38/95/38/325389538.db2.gz KLJIYWUQVTVXJB-YJBOKZPZSA-N 0 3 363.889 2.487 10 0 FEAEHN C[C@H](NC[C@H]1CN(C)CCO1)c1ccc(I)cc1 ZINC000091667740 325389633 /nfs/dbraw/zinc/38/96/33/325389633.db2.gz KRJRHMYEHGCGGL-FZMZJTMJSA-N 0 3 360.239 2.272 10 0 FEAEHN Clc1ccc(C2=NO[C@@H](CN3CC[C@H](CN4CCOCC4)C3)C2)cc1 ZINC000091673522 325389694 /nfs/dbraw/zinc/38/96/94/325389694.db2.gz ADUDCDIPQIRREZ-CRAIPNDOSA-N 0 3 363.889 2.487 10 0 FEAEHN Cc1noc(CCNCc2cn(C)nc2-c2ccc3c(c2)OCCCO3)n1 ZINC000105469770 325567324 /nfs/dbraw/zinc/56/73/24/325567324.db2.gz HEQNFMGCYPZCDN-UHFFFAOYSA-N 0 3 369.425 2.272 10 0 FEAEHN Cc1nn(-c2ccc(F)cc2F)c(C)c1CN[C@@H]1CCc2ncnn2C1 ZINC000109072582 325658524 /nfs/dbraw/zinc/65/85/24/325658524.db2.gz RUWKGSSJZXSQLK-CQSZACIVSA-N 0 3 358.396 2.463 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@@H]1CCN(c3ccccc3F)C1=O)CC2 ZINC000112345550 325774711 /nfs/dbraw/zinc/77/47/11/325774711.db2.gz UQKMJDKXNKBOLP-DZGCQCFKSA-N 0 3 357.433 2.251 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2nc3c(ccc4c3CCCC4)s2)C1 ZINC000114043170 325870845 /nfs/dbraw/zinc/87/08/45/325870845.db2.gz NCXROJVQGGAUCK-CYBMUJFWSA-N 0 3 372.494 2.276 10 0 FEAEHN Cc1cc(N2CCN(c3ccc(CN(C)C)cn3)CC2)nc(C2CC2)n1 ZINC000116261603 326002311 /nfs/dbraw/zinc/00/23/11/326002311.db2.gz FQEAKDULJKRKBA-UHFFFAOYSA-N 0 3 352.486 2.446 10 0 FEAEHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CCO1 ZINC000116900197 326041182 /nfs/dbraw/zinc/04/11/82/326041182.db2.gz LIBBGPAVJGJDLN-SFHVURJKSA-N 0 3 360.479 2.305 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2cccc(OCC(F)(F)F)c2)CCO1 ZINC000118813013 326104445 /nfs/dbraw/zinc/10/44/45/326104445.db2.gz MDWPSJYFMGLLMK-AWEZNQCLSA-N 0 3 361.364 2.422 10 0 FEAEHN CCc1ccc(CC(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000119790599 326198343 /nfs/dbraw/zinc/19/83/43/326198343.db2.gz FYYPVHPDTAWSGJ-NRFANRHFSA-N 0 3 352.478 2.327 10 0 FEAEHN CCC[C@@H](C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1)N(C)C ZINC000120271191 326245582 /nfs/dbraw/zinc/24/55/82/326245582.db2.gz LWNJVOVUIPBDSV-IBGZPJMESA-N 0 3 374.529 2.116 10 0 FEAEHN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000120759093 326285624 /nfs/dbraw/zinc/28/56/24/326285624.db2.gz DZMHRJCNENMCTM-INIZCTEOSA-N 0 3 360.506 2.335 10 0 FEAEHN CCOCCN1CCN(Cc2cc(OC)c3c(c2)OCCO3)C[C@H]1CC ZINC000120990853 326304875 /nfs/dbraw/zinc/30/48/75/326304875.db2.gz TYRDAQQUHCQEJM-QGZVFWFLSA-N 0 3 364.486 2.399 10 0 FEAEHN C[C@H](NC(=O)NC[C@](C)(O)CN(C)C)c1cccc(Br)c1 ZINC000121509702 326344134 /nfs/dbraw/zinc/34/41/34/326344134.db2.gz UDZDXDPOWHSTMU-NHYWBVRUSA-N 0 3 358.280 2.122 10 0 FEAEHN CC(C)c1cc(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)no1 ZINC000122035724 326381418 /nfs/dbraw/zinc/38/14/18/326381418.db2.gz ILUJANDFEYHFPZ-UHFFFAOYSA-N 0 3 357.458 2.217 10 0 FEAEHN COC(=O)CCn1nc(C)c(CN2CCC(Cn3cccn3)CC2)c1C ZINC000122082469 326383125 /nfs/dbraw/zinc/38/31/25/326383125.db2.gz QIFLSFJJUBTSOU-UHFFFAOYSA-N 0 3 359.474 2.172 10 0 FEAEHN CN(C)Cc1ccc(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000122308379 326391882 /nfs/dbraw/zinc/39/18/82/326391882.db2.gz XGMAPWKRKVKBGK-SFHVURJKSA-N 0 3 353.470 2.279 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)CCO1 ZINC000122455063 326397445 /nfs/dbraw/zinc/39/74/45/326397445.db2.gz ZHSJRESVROTODY-LSDHHAIUSA-N 0 3 359.392 2.132 10 0 FEAEHN O=C(Nc1cccc(CN2CCCCC2)c1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000130632600 326560501 /nfs/dbraw/zinc/56/05/01/326560501.db2.gz JBWJTWFNGKDPQP-MJGOQNOKSA-N 0 3 373.497 2.278 10 0 FEAEHN C[C@H](NC(=O)NC[C@H](O)CN1CCCCC1)c1cccc(N2CCCC2)c1 ZINC000155216567 326781469 /nfs/dbraw/zinc/78/14/69/326781469.db2.gz JCWPRSVKLDXKCS-PXNSSMCTSA-N 0 3 374.529 2.494 10 0 FEAEHN CCn1cnnc1C1CCN(C[C@@H](O)COCc2cccs2)CC1 ZINC000155385655 326786538 /nfs/dbraw/zinc/78/65/38/326786538.db2.gz GWLNJOHWTDPWFS-OAHLLOKOSA-N 0 3 350.488 2.117 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)CCO1 ZINC000155476300 326788989 /nfs/dbraw/zinc/78/89/89/326788989.db2.gz QFDXZZCUITYTHP-HKUYNNGSSA-N 0 3 372.444 2.282 10 0 FEAEHN CCc1nn(C)c(CC)c1CNC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000162032176 327015067 /nfs/dbraw/zinc/01/50/67/327015067.db2.gz JNPFGOVKQVDNJO-AWEZNQCLSA-N 0 3 357.506 2.135 10 0 FEAEHN CC(C)C[C@H](N)C(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000168421674 327086691 /nfs/dbraw/zinc/08/66/91/327086691.db2.gz VLZPADKYWGXECU-KRWDZBQOSA-N 0 3 356.470 2.359 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000170844983 327102137 /nfs/dbraw/zinc/10/21/37/327102137.db2.gz BYLOUSWALYXBIZ-SFHVURJKSA-N 0 3 351.450 2.378 10 0 FEAEHN CCCCCn1nc(C(=O)N2CC[C@H](N(C)C)C2)c2ccccc2c1=O ZINC000170861433 327103370 /nfs/dbraw/zinc/10/33/70/327103370.db2.gz RKKUVXVQAIHMBF-HNNXBMFYSA-N 0 3 356.470 2.363 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C1 ZINC000170859878 327103437 /nfs/dbraw/zinc/10/34/37/327103437.db2.gz JAXNJBOTKHPUKX-RDJZCZTQSA-N 0 3 363.889 2.355 10 0 FEAEHN COc1cccc([C@@H](CNC(=O)N2CC[C@@H](N(C)C)C2)N2CCCC2)c1 ZINC000170863279 327103551 /nfs/dbraw/zinc/10/35/51/327103551.db2.gz OJJZZZTWZBPQKI-IEBWSBKVSA-N 0 3 360.502 2.178 10 0 FEAEHN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC[C@H](N(C)C)C1 ZINC000170868152 327103978 /nfs/dbraw/zinc/10/39/78/327103978.db2.gz ZBTUDRMRASSOQJ-SNRMKQJTSA-N 0 3 357.498 2.149 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCCCc1nnc2n1CCCCC2 ZINC000171310479 327131418 /nfs/dbraw/zinc/13/14/18/327131418.db2.gz IBFGJMFIMUJXID-MRXNPFEDSA-N 0 3 364.538 2.213 10 0 FEAEHN O=C1C[C@H](c2ccccc2)N(C[C@@H](O)COCc2ccccc2)CCN1 ZINC000171347436 327133828 /nfs/dbraw/zinc/13/38/28/327133828.db2.gz JOMSVMDECJDGHA-WOJBJXKFSA-N 0 3 354.450 2.127 10 0 FEAEHN CC(C)(C)OC(=O)NC[C@@H]1CCN(C[C@H](O)COCc2ccccc2)C1 ZINC000171346404 327133832 /nfs/dbraw/zinc/13/38/32/327133832.db2.gz LKPAISZPLUTWAN-ROUUACIJSA-N 0 3 364.486 2.411 10 0 FEAEHN COC(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1 ZINC000171469703 327141638 /nfs/dbraw/zinc/14/16/38/327141638.db2.gz YMDLYXBFXCGQNA-GOSISDBHSA-N 0 3 373.497 2.242 10 0 FEAEHN O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@H](n2cncn2)C1 ZINC000171661547 327153181 /nfs/dbraw/zinc/15/31/81/327153181.db2.gz JCFGHZQLDRGYPO-HKUYNNGSSA-N 0 3 371.460 2.493 10 0 FEAEHN COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000171888135 327167805 /nfs/dbraw/zinc/16/78/05/327167805.db2.gz JLFNTKCLFJBALV-INIZCTEOSA-N 0 3 372.469 2.385 10 0 FEAEHN O=C(NCc1nc(-c2cccc(Cl)c2)no1)N1CCN2CCC[C@H]2C1 ZINC000172158549 327184748 /nfs/dbraw/zinc/18/47/48/327184748.db2.gz ONHBHWRQECPZEP-AWEZNQCLSA-N 0 3 361.833 2.380 10 0 FEAEHN Cc1cnn(CCNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c1 ZINC000173205201 327241170 /nfs/dbraw/zinc/24/11/70/327241170.db2.gz ALLSFSPAOIWOLY-SFHVURJKSA-N 0 3 355.486 2.498 10 0 FEAEHN C[C@H](CNC(=O)NC[C@@H](O)CN1CCCCC1)Sc1ccccc1 ZINC000173313122 327249342 /nfs/dbraw/zinc/24/93/42/327249342.db2.gz DRPOFVCENMTHST-HZPDHXFCSA-N 0 3 351.516 2.313 10 0 FEAEHN C[C@@]1(C(=O)N2CCN3CCC[C@@H]3C2)CCCN(C(=O)c2ccccc2)C1 ZINC000173575301 327268006 /nfs/dbraw/zinc/26/80/06/327268006.db2.gz GOPUOGLOPQVNEW-WIYYLYMNSA-N 0 3 355.482 2.236 10 0 FEAEHN C[C@H](NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000173580439 327268314 /nfs/dbraw/zinc/26/83/14/327268314.db2.gz WVSNIGODKLBQGB-DZKIICNBSA-N 0 3 367.515 2.275 10 0 FEAEHN CN(C)C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CCN2C)c1ccccc1 ZINC000173723332 327279274 /nfs/dbraw/zinc/27/92/74/327279274.db2.gz IWZVBWTWFLHMRR-SFHVURJKSA-N 0 3 366.465 2.498 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000173743957 327280755 /nfs/dbraw/zinc/28/07/55/327280755.db2.gz YLRGCDLIWYVWEN-VQIMIIECSA-N 0 3 355.482 2.234 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)N1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000173767545 327282726 /nfs/dbraw/zinc/28/27/26/327282726.db2.gz TYNBYCFVMWMOAU-PMACEKPBSA-N 0 3 374.529 2.186 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)Nc1ccc(F)cc1OC(F)F ZINC000174045568 327303512 /nfs/dbraw/zinc/30/35/12/327303512.db2.gz ZGPAUTCFNFIVPZ-LBPRGKRZSA-N 0 3 361.364 2.395 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CNCCCC(C)(C)CO ZINC000174426265 327326324 /nfs/dbraw/zinc/32/63/24/327326324.db2.gz KCFHDAMHHATTGU-UHFFFAOYSA-N 0 3 352.523 2.268 10 0 FEAEHN CN(C)Cc1cccc(C(=O)N(C)C2CCN(CCn3cccn3)CC2)c1 ZINC000174737170 327347001 /nfs/dbraw/zinc/34/70/01/327347001.db2.gz WKUMNEGXGFBXSG-UHFFFAOYSA-N 0 3 369.513 2.181 10 0 FEAEHN COc1cccc(NC(=O)CCN2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000174781008 327350526 /nfs/dbraw/zinc/35/05/26/327350526.db2.gz NXRFCFJIFVWOFD-UHFFFAOYSA-N 0 3 369.469 2.335 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1nnn(-c2ccc(OC)cc2)c1C ZINC000175013903 327368066 /nfs/dbraw/zinc/36/80/66/327368066.db2.gz AUPGEOPRNSZLKF-DOTOQJQBSA-N 0 3 369.469 2.283 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(CCC(F)(F)F)cc2)C1 ZINC000176394129 327453133 /nfs/dbraw/zinc/45/31/33/327453133.db2.gz KCCOQOZNAAPZEB-AWEZNQCLSA-N 0 3 357.376 2.283 10 0 FEAEHN CCO[C@@H]1C[C@@H](NC(=O)NC[C@@H](O)CN2CCCCC2)C1(CC)CC ZINC000247138137 328670958 /nfs/dbraw/zinc/67/09/58/328670958.db2.gz STZNDFOZTKBGBO-BRWVUGGUSA-N 0 3 355.523 2.116 10 0 FEAEHN CCCCOC[C@H](O)CN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000248661250 328733174 /nfs/dbraw/zinc/73/31/74/328733174.db2.gz WYXCWLQXCMWCLE-NUJGCVRESA-N 0 3 354.878 2.379 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cc(N2C[C@H](C)O[C@@H](C)C2)ccn1 ZINC000248816159 328742290 /nfs/dbraw/zinc/74/22/90/328742290.db2.gz CXXAKKASQVOLLJ-YESZJQIVSA-N 0 3 362.518 2.401 10 0 FEAEHN NC1(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)CCOCC1 ZINC000261777637 328818949 /nfs/dbraw/zinc/81/89/49/328818949.db2.gz HCHAFEFIUYJMHF-UHFFFAOYSA-N 0 3 364.449 2.209 10 0 FEAEHN Cc1ccc([C@@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)c2ccccc2)cc1 ZINC000262051540 328838374 /nfs/dbraw/zinc/83/83/74/328838374.db2.gz IJTJKZSCQYUBSO-PMACEKPBSA-N 0 3 353.466 2.300 10 0 FEAEHN COc1cc(Br)ccc1-c1nc([C@H]2CNCCN2C)no1 ZINC000263187885 328923541 /nfs/dbraw/zinc/92/35/41/328923541.db2.gz HOJOOJBTTCKTDQ-LLVKDONJSA-N 0 3 353.220 2.084 10 0 FEAEHN CC(C)c1nc(-c2nc([C@@H]3CNCCN3C)no2)nn1-c1cccc(F)c1 ZINC000263272298 328929507 /nfs/dbraw/zinc/92/95/07/328929507.db2.gz SKNNXNJITQACIO-AWEZNQCLSA-N 0 3 371.420 2.156 10 0 FEAEHN CN(C)c1nc2sc(-c3nc([C@@H]4CNCCN4C)no3)cc2s1 ZINC000263312044 328932116 /nfs/dbraw/zinc/93/21/16/328932116.db2.gz YVVGHJLTFGQDHX-QMMMGPOBSA-N 0 3 350.473 2.050 10 0 FEAEHN CN(C)c1nc2sc(-c3nc([C@H]4CNCCN4C)no3)cc2s1 ZINC000263312043 328932193 /nfs/dbraw/zinc/93/21/93/328932193.db2.gz YVVGHJLTFGQDHX-MRVPVSSYSA-N 0 3 350.473 2.050 10 0 FEAEHN CN(C)C[C@H]1CN(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CCO1 ZINC000155354224 545517040 /nfs/dbraw/zinc/51/70/40/545517040.db2.gz LKZADYWTECFXHJ-AWEZNQCLSA-N 0 3 374.312 2.214 10 0 FEAEHN Cc1ccc(Cc2nc(C(=O)N3CCO[C@H](CN(C)C)C3)cs2)cc1 ZINC000157093189 545699551 /nfs/dbraw/zinc/69/95/51/545699551.db2.gz PXSCBJRLHBKMOH-MRXNPFEDSA-N 0 3 359.495 2.445 10 0 FEAEHN O=C(NC[C@H](O)CN1CCc2ccccc2C1)C1(c2ccc(F)cc2)CC1 ZINC000159145235 545926162 /nfs/dbraw/zinc/92/61/62/545926162.db2.gz DYPIDYWHVRADTQ-FQEVSTJZSA-N 0 3 368.452 2.393 10 0 FEAEHN O=C(Cc1ccccc1Cl)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000159337886 545944868 /nfs/dbraw/zinc/94/48/68/545944868.db2.gz FKLDBLGCWVWAAS-SFHVURJKSA-N 0 3 358.869 2.418 10 0 FEAEHN O=[S@](CCNC[C@H](O)COc1ccccc1)c1ccc(Cl)cc1 ZINC000169345718 546159134 /nfs/dbraw/zinc/15/91/34/546159134.db2.gz HTMNZNNFZCIVGO-NPMXOYFQSA-N 0 3 353.871 2.477 10 0 FEAEHN COc1ccc2cc(NC(=O)NC[C@@H](O)CN3CCCCC3)ccc2n1 ZINC000171279685 546200887 /nfs/dbraw/zinc/20/08/87/546200887.db2.gz MRMDQMOITJSZDL-MRXNPFEDSA-N 0 3 358.442 2.212 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000175864269 546364110 /nfs/dbraw/zinc/36/41/10/546364110.db2.gz NBJYSPUHJHHIJG-KBPBESRZSA-N 0 3 352.445 2.241 10 0 FEAEHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1COc2ccccc21 ZINC000176070352 546401593 /nfs/dbraw/zinc/40/15/93/546401593.db2.gz HDMPPJFXQKEXDA-KRWDZBQOSA-N 0 3 353.422 2.245 10 0 FEAEHN C[C@@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)Oc1cccc(Cl)c1 ZINC000176144656 546413761 /nfs/dbraw/zinc/41/37/61/546413761.db2.gz CPQYUZOKIHRJGC-XJKSGUPXSA-N 0 3 355.866 2.079 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc2ccn(CC(=O)NC)c2c1 ZINC000176373742 546437280 /nfs/dbraw/zinc/43/72/80/546437280.db2.gz OBPFQMQMUMVEAF-KRWDZBQOSA-N 0 3 371.485 2.335 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc(COCC2CC2)c1 ZINC000176887865 546501096 /nfs/dbraw/zinc/50/10/96/546501096.db2.gz MRBXWKXHLABJDC-LJQANCHMSA-N 0 3 373.497 2.494 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(CCSC)cc1 ZINC000176904536 546504773 /nfs/dbraw/zinc/50/47/73/546504773.db2.gz ODPCKSPQAAWVEU-KRWDZBQOSA-N 0 3 363.527 2.473 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000177006068 546521821 /nfs/dbraw/zinc/52/18/21/546521821.db2.gz QEGROBSIXSGTSG-OAHLLOKOSA-N 0 3 371.403 2.378 10 0 FEAEHN COCCCNC(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000177429783 546616363 /nfs/dbraw/zinc/61/63/63/546616363.db2.gz AZFMYCUPPDPTRR-IBGZPJMESA-N 0 3 363.502 2.110 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000179190138 546912304 /nfs/dbraw/zinc/91/23/04/546912304.db2.gz GEYDDJMXWBZECR-RTBURBONSA-N 0 3 374.529 2.311 10 0 FEAEHN COCc1nnc(-c2cccc(C(=O)N[C@H]3CN(C(C)C)C[C@H]3C)c2)o1 ZINC000179730672 547005546 /nfs/dbraw/zinc/00/55/46/547005546.db2.gz HJDHBGOWXNVUPU-CJNGLKHVSA-N 0 3 358.442 2.342 10 0 FEAEHN O=C(c1ccc(CN2CCC(CO)CC2)cc1)N1CCN2CCCC[C@@H]2C1 ZINC000179761711 547009834 /nfs/dbraw/zinc/00/98/34/547009834.db2.gz NLTWYCCPCFHBPM-OAQYLSRUSA-N 0 3 371.525 2.201 10 0 FEAEHN O[C@@H](COCc1ccc(Cl)cc1)CN1CCCN(CC(F)F)CC1 ZINC000180575094 547133541 /nfs/dbraw/zinc/13/35/41/547133541.db2.gz PXDDTRJLMOPQSF-MRXNPFEDSA-N 0 3 362.848 2.490 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)CCO1 ZINC000181231410 547275981 /nfs/dbraw/zinc/27/59/81/547275981.db2.gz SWGIWGSMNBACLM-MRXNPFEDSA-N 0 3 371.441 2.408 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2cc(F)ccc2Br)CCO1 ZINC000181234064 547276317 /nfs/dbraw/zinc/27/63/17/547276317.db2.gz HGGLTXFNRLHWLE-LLVKDONJSA-N 0 3 360.227 2.383 10 0 FEAEHN COC(=O)c1ccccc1OCCN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000182134827 547443053 /nfs/dbraw/zinc/44/30/53/547443053.db2.gz HJVGDYBKWYMEEC-INIZCTEOSA-N 0 3 370.453 2.243 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)COc2cc(C)ccc2Cl)CCN1C[C@@H](C)O ZINC000182341340 547476195 /nfs/dbraw/zinc/47/61/95/547476195.db2.gz PCXCAKLTSNLKOZ-ZACQAIPSSA-N 0 3 370.921 2.165 10 0 FEAEHN CCN1CCN(CCCCNC(=O)N2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000182348374 547477412 /nfs/dbraw/zinc/47/74/12/547477412.db2.gz YLACZKCMRGEHFZ-SFHVURJKSA-N 0 3 362.522 2.064 10 0 FEAEHN O=C(NCCCn1ccnn1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000182351484 547477570 /nfs/dbraw/zinc/47/75/70/547477570.db2.gz DPMPZRLIJRQOKC-SFHVURJKSA-N 0 3 356.474 2.022 10 0 FEAEHN Cc1ccc(Cl)c(OC[C@H](O)CN2CCC[C@H](Cn3cncn3)C2)c1 ZINC000182388845 547484418 /nfs/dbraw/zinc/48/44/18/547484418.db2.gz SDIBVLLLWUAOBL-JKSUJKDBSA-N 0 3 364.877 2.392 10 0 FEAEHN CCC[C@@H]1C[C@H](C(=O)NC[C@H](O)CN2CCc3ccccc3C2)CCO1 ZINC000182619368 547523508 /nfs/dbraw/zinc/52/35/08/547523508.db2.gz DJHGSFXCJHWDQU-YZGWKJHDSA-N 0 3 360.498 2.117 10 0 FEAEHN COCCCS(=O)(=O)NCCN[C@H]1c2ccccc2CCC1(C)C ZINC000183221784 547623040 /nfs/dbraw/zinc/62/30/40/547623040.db2.gz YUWYRJMOSVUUIZ-KRWDZBQOSA-N 0 3 354.516 2.246 10 0 FEAEHN CCN1CCN(c2cccc(NC(=O)N[C@@H]3CCCN(CC)C3)c2)CC1 ZINC000184910003 547897974 /nfs/dbraw/zinc/89/79/74/547897974.db2.gz HLGOAQVYEFGLFF-GOSISDBHSA-N 0 3 359.518 2.434 10 0 FEAEHN CCCCOc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cn1 ZINC000185039167 547921622 /nfs/dbraw/zinc/92/16/22/547921622.db2.gz PUSODCPBNLVPCC-HOCLYGCPSA-N 0 3 362.474 2.044 10 0 FEAEHN CC[C@@H](O)CN1CCN(C(=O)c2cc(-c3ccc(C)c(C)c3)[nH]n2)CC1 ZINC000186692790 548175178 /nfs/dbraw/zinc/17/51/78/548175178.db2.gz NAMNHUKXHGGEOE-QGZVFWFLSA-N 0 3 356.470 2.222 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN([C@@H](C)C(=O)NCC(C)C)C1 ZINC000195266652 548607757 /nfs/dbraw/zinc/60/77/57/548607757.db2.gz HVHQIOMOZXFCDR-JKSUJKDBSA-N 0 3 352.548 2.366 10 0 FEAEHN CC(=O)Nc1nc(CN2CC[C@H](CN(C)Cc3cccnc3)C2)cs1 ZINC000195272818 548608899 /nfs/dbraw/zinc/60/88/99/548608899.db2.gz RYVCPNJCKBSVJV-MRXNPFEDSA-N 0 3 359.499 2.450 10 0 FEAEHN O=C(Nc1cccc(C(=O)N2CCN3CCC[C@@H]3C2)c1)c1cccnc1 ZINC000195330697 548625533 /nfs/dbraw/zinc/62/55/33/548625533.db2.gz QLMAPDMUHIZEQG-GOSISDBHSA-N 0 3 350.422 2.254 10 0 FEAEHN CCC[C@@H](N)C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000236943357 548789746 /nfs/dbraw/zinc/78/97/46/548789746.db2.gz MFLPWWZAXWFQPD-QGZVFWFLSA-N 0 3 352.910 2.096 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C[C@@H](NC(C)=O)c1c(F)cccc1F ZINC000245432081 548917252 /nfs/dbraw/zinc/91/72/52/548917252.db2.gz NSZGAMPGNGNDPC-RHSMWYFYSA-N 0 3 367.440 2.475 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000245476627 548930992 /nfs/dbraw/zinc/93/09/92/548930992.db2.gz SZGHNEGKUZFSEZ-UYAOXDASSA-N 0 3 358.530 2.140 10 0 FEAEHN O=C(COc1ccccc1CN1CCN2CCCC[C@H]2C1)N1CCCC1 ZINC000245563848 548947646 /nfs/dbraw/zinc/94/76/46/548947646.db2.gz QFZHHMVBSRWKAD-IBGZPJMESA-N 0 3 357.498 2.358 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245675515 548971922 /nfs/dbraw/zinc/97/19/22/548971922.db2.gz SZLWCSDOFDHVCZ-PBFPGSCMSA-N 0 3 367.852 2.161 10 0 FEAEHN O[C@@H](COCc1ccccc1)CN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245753721 548988329 /nfs/dbraw/zinc/98/83/29/548988329.db2.gz ONRRIJZKMHOCMA-QZTJIDSGSA-N 0 3 356.470 2.439 10 0 FEAEHN O=C(NC[C@H]1CCCN(Cc2cccs2)C1)N[C@H]1CCCn2ncnc21 ZINC000245920068 549019884 /nfs/dbraw/zinc/01/98/84/549019884.db2.gz ZZJVHUMKAPJFLI-ZBFHGGJFSA-N 0 3 374.514 2.386 10 0 FEAEHN CCOc1ccccc1[C@@H](CC(=O)N[C@@H]1CCCN(CC)C1)NC(C)=O ZINC000245992914 549032234 /nfs/dbraw/zinc/03/22/34/549032234.db2.gz AQCKBROGQCIXOC-SJLPKXTDSA-N 0 3 361.486 2.253 10 0 FEAEHN CCc1noc([C@H](C)N2CCN(C(=O)[C@@H](C)[C@@H](N)c3ccccc3)CC2)n1 ZINC000246240321 549086923 /nfs/dbraw/zinc/08/69/23/549086923.db2.gz ISDPRJLEMPVANW-RLFYNMQTSA-N 0 3 371.485 2.173 10 0 FEAEHN C[C@@H](CNC(=O)N1CCN2CCCC[C@H]2C1)N1CCc2sccc2C1 ZINC000246328971 549107763 /nfs/dbraw/zinc/10/77/63/549107763.db2.gz AQZBYDBGMWBQHS-RDJZCZTQSA-N 0 3 362.543 2.374 10 0 FEAEHN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2CCN3CCC[C@H]3C2)c1 ZINC000246410738 549126522 /nfs/dbraw/zinc/12/65/22/549126522.db2.gz QSDYAODRDPXZIK-QFBILLFUSA-N 0 3 373.497 2.147 10 0 FEAEHN COc1cccc(COC[C@H](O)CN2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000246692526 549189748 /nfs/dbraw/zinc/18/97/48/549189748.db2.gz MYXHYWAXVSGVDH-YLJYHZDGSA-N 0 3 358.438 2.121 10 0 FEAEHN c1cncc(O[C@@H]2CCN(CCCN3CC[C@@H](Oc4cccnc4)C3)C2)c1 ZINC000246717444 549195211 /nfs/dbraw/zinc/19/52/11/549195211.db2.gz NZHCTEAXBKLESD-NHCUHLMSSA-N 0 3 368.481 2.473 10 0 FEAEHN C[C@H](NC(=O)CN1CCN2CCC[C@H]2C1)c1ccc(Br)cc1 ZINC000246742958 549201516 /nfs/dbraw/zinc/20/15/16/549201516.db2.gz WWCLYOPFCQGLBW-BBRMVZONSA-N 0 3 366.303 2.406 10 0 FEAEHN CC[C@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CCN1C[C@H](C)O ZINC000246793269 549214174 /nfs/dbraw/zinc/21/41/74/549214174.db2.gz JLPYUKYLCROOED-PXNSSMCTSA-N 0 3 359.514 2.200 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)Cc1ccc(Br)cc1 ZINC000246967195 549254100 /nfs/dbraw/zinc/25/41/00/549254100.db2.gz IXUVRDLQMRSNJG-DOMZBBRYSA-N 0 3 373.316 2.447 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)N1CCN(CCOC)[C@@H](C)C1)c1ccco1 ZINC000247013443 549265373 /nfs/dbraw/zinc/26/53/73/549265373.db2.gz HFUXBWICSRKFCA-DLBZAZTESA-N 0 3 366.506 2.025 10 0 FEAEHN COC(=O)[C@H](N[C@H]1CN(C(C)C)C[C@@H]1C)c1cc(OC)cc(OC)c1 ZINC000248053468 549403604 /nfs/dbraw/zinc/40/36/04/549403604.db2.gz WWRZONFQDHLACA-DOPJRALCSA-N 0 3 350.459 2.236 10 0 FEAEHN CCO[C@@H]1C[C@@H](N[C@H](Cc2ccc(Cl)cc2)C(N)=O)C12CCOCC2 ZINC000248633858 549472830 /nfs/dbraw/zinc/47/28/30/549472830.db2.gz JGLDDBLZSYGLEW-BRWVUGGUSA-N 0 3 366.889 2.300 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN([C@H](C)C(=O)Nc2ncccn2)C1 ZINC000248653855 549477784 /nfs/dbraw/zinc/47/77/84/549477784.db2.gz OXKNHKOPMRTLOK-CABCVRRESA-N 0 3 374.514 2.022 10 0 FEAEHN CCc1nc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2CC)sc1C ZINC000248673844 549481960 /nfs/dbraw/zinc/48/19/60/549481960.db2.gz HOARDLCHVVTYMD-CHWSQXEVSA-N 0 3 350.488 2.038 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCCN2CC)C12CCOCC2 ZINC000248796792 549503125 /nfs/dbraw/zinc/50/31/25/549503125.db2.gz YTBXETFZAUGJPC-IXDOHACOSA-N 0 3 353.507 2.134 10 0 FEAEHN COc1nc(C)c(Br)cc1C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000249137695 549559302 /nfs/dbraw/zinc/55/93/02/549559302.db2.gz OTPFAYMLJGLZAW-ZYHUDNBSSA-N 0 3 368.275 2.470 10 0 FEAEHN CSCCc1ccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1 ZINC000249154997 549562970 /nfs/dbraw/zinc/56/29/70/549562970.db2.gz ICUZZFKLLUMFQM-PBHICJAKSA-N 0 3 361.511 2.226 10 0 FEAEHN COc1cccc([C@@H](CNC(=O)NC[C@@H]2CCCN2C)N2CCCC2)c1 ZINC000249735163 549620892 /nfs/dbraw/zinc/62/08/92/549620892.db2.gz DHEYMEQWKYMDTJ-PKOBYXMFSA-N 0 3 360.502 2.226 10 0 FEAEHN CC(=O)N[C@@H]1CCCN(C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000249740251 549622611 /nfs/dbraw/zinc/62/26/11/549622611.db2.gz XPQOEPFZTMZPDZ-XWIAVFTESA-N 0 3 354.878 2.379 10 0 FEAEHN CCOc1ccc(Oc2cc(CNC(=O)C3(N)CCOCC3)ccn2)cc1 ZINC000261794630 549755850 /nfs/dbraw/zinc/75/58/50/549755850.db2.gz ILMYUTNCBZONAU-UHFFFAOYSA-N 0 3 371.437 2.397 10 0 FEAEHN N[C@H](C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1)C1CCOCC1 ZINC000261829883 549760767 /nfs/dbraw/zinc/76/07/67/549760767.db2.gz IETMAOJXFNMCQX-SFHVURJKSA-N 0 3 369.469 2.364 10 0 FEAEHN NCc1nc(CN2CCN(CCC34CC5CC(CC(C5)C3)C4)CC2)no1 ZINC000261868368 549763896 /nfs/dbraw/zinc/76/38/96/549763896.db2.gz XEIVRXBJNCCOBR-UHFFFAOYSA-N 0 3 359.518 2.252 10 0 FEAEHN N[C@@H]1CN(CC(=O)Nc2nc3c(s2)CCCC3)C[C@H]1c1ccccc1 ZINC000261877650 549764718 /nfs/dbraw/zinc/76/47/18/549764718.db2.gz YCEFLZFJQMTKDK-LSDHHAIUSA-N 0 3 356.495 2.387 10 0 FEAEHN CC(C)OCCOCc1cccc(NC(=O)[C@@H](N)C2CCOCC2)c1 ZINC000261883686 549766200 /nfs/dbraw/zinc/76/62/00/549766200.db2.gz UWEVBTOQQNZDSU-SFHVURJKSA-N 0 3 350.459 2.321 10 0 FEAEHN N[C@@H](C(=O)Nc1ccc2[nH]c(-c3ccccn3)nc2c1)C1CCOCC1 ZINC000262159649 549794038 /nfs/dbraw/zinc/79/40/38/549794038.db2.gz XXNXPTLWRUAWTK-QGZVFWFLSA-N 0 3 351.410 2.317 10 0 FEAEHN N[C@@H](C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1)C1CCOCC1 ZINC000262159649 549794041 /nfs/dbraw/zinc/79/40/41/549794041.db2.gz XXNXPTLWRUAWTK-QGZVFWFLSA-N 0 3 351.410 2.317 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)N[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000262271962 549804758 /nfs/dbraw/zinc/80/47/58/549804758.db2.gz WQDXTAAQQSFDCL-JJRVBVJISA-N 0 3 369.531 2.268 10 0 FEAEHN CN1CCNC[C@@H]1c1noc([C@@H]2CCCN2C(=O)Nc2ccccc2)n1 ZINC000263317885 549894593 /nfs/dbraw/zinc/89/45/93/549894593.db2.gz ZSXVYJNEISHEDU-LSDHHAIUSA-N 0 3 356.430 2.015 10 0 FEAEHN CNS(=O)(=O)c1ccc(NC[C@H]2CCCCN2Cc2ccccc2)nc1 ZINC000301285065 553639154 /nfs/dbraw/zinc/63/91/54/553639154.db2.gz ZAAAHFDEOYWRHB-QGZVFWFLSA-N 0 3 374.510 2.456 10 0 FEAEHN CCOC(=O)c1cnc2c(c(C)nn2C)c1NC1CCN(C2CC2)CC1 ZINC000302077205 553702665 /nfs/dbraw/zinc/70/26/65/553702665.db2.gz AIFVNAJESCGRPN-UHFFFAOYSA-N 0 3 357.458 2.492 10 0 FEAEHN CC(=O)N(Cc1cncnc1)[C@@H]1CCC[N@H+](Cc2nc(C)ccc2[O-])CC1 ZINC000328639025 553800448 /nfs/dbraw/zinc/80/04/48/553800448.db2.gz PIQCFIKIYQIWJN-GOSISDBHSA-N 0 3 369.469 2.289 10 0 FEAEHN CC(=O)N(Cc1cncnc1)[C@@H]1CCC[N@@H+](Cc2nc(C)ccc2[O-])CC1 ZINC000328639025 553800449 /nfs/dbraw/zinc/80/04/49/553800449.db2.gz PIQCFIKIYQIWJN-GOSISDBHSA-N 0 3 369.469 2.289 10 0 FEAEHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000156802105 672250687 /nfs/dbraw/zinc/25/06/87/672250687.db2.gz LZPFULQYMCFKAJ-NSHDSACASA-N 0 3 362.879 2.135 10 0 FEAEHN C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000193644122 672732187 /nfs/dbraw/zinc/73/21/87/672732187.db2.gz BKLAMFAKJWTMMF-JOYOIKCWSA-N 0 3 364.243 2.161 10 0 FEAEHN COC[C@@]1(CNCc2cnn(C)c2C)CCCN1C(=O)OC(C)(C)C ZINC000310641083 673024924 /nfs/dbraw/zinc/02/49/24/673024924.db2.gz TWRDAXYZGKVGER-SFHVURJKSA-N 0 3 352.479 2.234 10 0 FEAEHN COc1ccc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(F)c1 ZINC000702848070 673060924 /nfs/dbraw/zinc/06/09/24/673060924.db2.gz WEIQZKUCUBPVTP-CZUORRHYSA-N 0 3 354.422 2.152 10 0 FEAEHN CC(=O)N1C[C@H](NCc2cccc3c2OCCO3)CC[C@@H]1C(F)(F)F ZINC000886063015 688199028 /nfs/dbraw/zinc/19/90/28/688199028.db2.gz FIHBJHNNVZCWKB-UKRRQHHQSA-N 0 3 358.360 2.489 10 0 FEAEHN O=C(NC1CCN(C[C@@H](O)COCc2ccc(Cl)cc2)CC1)C1CC1 ZINC000030538885 539885128 /nfs/dbraw/zinc/88/51/28/539885128.db2.gz PYQROGREGMVZDD-GOSISDBHSA-N 0 3 366.889 2.208 10 0 FEAEHN CN(C)C[C@@H](NC(=O)NCCc1nnc2n1CCCCC2)c1ccccc1 ZINC000048216561 540351870 /nfs/dbraw/zinc/35/18/70/540351870.db2.gz LEUPDTUOERHSKJ-QGZVFWFLSA-N 0 3 370.501 2.149 10 0 FEAEHN O=C(NCc1cccc(C(F)(F)F)c1)NC[C@@H](O)CN1CCCCC1 ZINC000049172530 540383124 /nfs/dbraw/zinc/38/31/24/540383124.db2.gz WLPNCLKPHKAFKA-OAHLLOKOSA-N 0 3 359.392 2.351 10 0 FEAEHN COc1ccc([C@@H](C)NC(=O)NC[C@@H](O)CN2CCCCC2)cc1F ZINC000049174577 540383607 /nfs/dbraw/zinc/38/36/07/540383607.db2.gz KBIVJSNIXXEHKF-UKRRQHHQSA-N 0 3 353.438 2.041 10 0 FEAEHN CC(C)CN1CCN(C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000053420439 540533936 /nfs/dbraw/zinc/53/39/36/540533936.db2.gz NSGHMQIOFMRYOI-INIZCTEOSA-N 0 3 371.319 2.462 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC(NC(=O)c3ccsc3)CC2)C1 ZINC000056752903 540742676 /nfs/dbraw/zinc/74/26/76/540742676.db2.gz XPQGPNIQCGFOJN-MRXNPFEDSA-N 0 3 364.515 2.136 10 0 FEAEHN CCCC[C@@H](NC(N)=O)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000062227780 541145683 /nfs/dbraw/zinc/14/56/83/541145683.db2.gz FSBPNKRZHFQCNI-ZWKOTPCHSA-N 0 3 360.502 2.384 10 0 FEAEHN Brc1ccc(OCCN2CC[C@H](N3CCOCC3)C2)cc1 ZINC000062982302 541156129 /nfs/dbraw/zinc/15/61/29/541156129.db2.gz RVZDFZDTFRFKMY-HNNXBMFYSA-N 0 3 355.276 2.234 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCC(c3nnc4ccccn43)CC2)C1 ZINC000247393909 549328437 /nfs/dbraw/zinc/32/84/37/549328437.db2.gz QPWUODRYCJCSTO-DOTOQJQBSA-N 0 3 370.501 2.347 10 0 FEAEHN C[C@H](N[C@@H](C)c1cccc(Br)c1)C(=O)NC(=O)NC1CC1 ZINC000075671858 542196614 /nfs/dbraw/zinc/19/66/14/542196614.db2.gz CJHNJCLKKOTQPN-UWVGGRQHSA-N 0 3 354.248 2.476 10 0 FEAEHN COc1ccc(C(=O)Nc2ccnn2C2CCN(C[C@H](C)O)CC2)cc1 ZINC000067460277 208706742 /nfs/dbraw/zinc/70/67/42/208706742.db2.gz KFWWXQQUBJUIMO-AWEZNQCLSA-N 0 3 358.442 2.162 10 0 FEAEHN CN(c1cccnn1)C1CCN(Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000093272514 542922826 /nfs/dbraw/zinc/92/28/26/542922826.db2.gz PCUVQECDYWTTGJ-UHFFFAOYSA-N 0 3 363.469 2.373 10 0 FEAEHN COc1ccc(CN[C@@H]2CCC[C@@H](C(=O)NC3CC3)CC(=O)N(C)C2)cc1 ZINC000096113412 542991877 /nfs/dbraw/zinc/99/18/77/542991877.db2.gz XMWZSQKNRFVFLR-SJLPKXTDSA-N 0 3 373.497 2.081 10 0 FEAEHN CC(C)(C)c1csc(CNC(=O)NC[C@H](O)CN2CCCCC2)n1 ZINC000105296274 543170197 /nfs/dbraw/zinc/17/01/97/543170197.db2.gz QEEBYZYEFCMTGH-ZDUSSCGKSA-N 0 3 354.520 2.087 10 0 FEAEHN COc1ccc(C(=O)Nc2cccc(CNC[C@@H]3CN(C)CCO3)c2)cc1 ZINC000105471834 543174446 /nfs/dbraw/zinc/17/44/46/543174446.db2.gz MGZRHZVVQCPDBE-HXUWFJFHSA-N 0 3 369.465 2.368 10 0 FEAEHN CC[C@@H]1CN(Cc2cccc(C(=O)NCC(C)C)c2)CCN1C[C@@H](C)O ZINC000106101367 543197539 /nfs/dbraw/zinc/19/75/39/543197539.db2.gz IETYCCGVSVCOOR-YLJYHZDGSA-N 0 3 361.530 2.349 10 0 FEAEHN CN(C)CCOc1ccc(CNC(=O)[C@H](Cc2ccccc2)N(C)C)cc1 ZINC000106459150 543231132 /nfs/dbraw/zinc/23/11/32/543231132.db2.gz CUZOIUOCUCSRAV-NRFANRHFSA-N 0 3 369.509 2.416 10 0 FEAEHN CN(C)CCOc1ccccc1CNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000106912567 543254766 /nfs/dbraw/zinc/25/47/66/543254766.db2.gz OOTRSZHUVYGECV-HXUWFJFHSA-N 0 3 369.509 2.416 10 0 FEAEHN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCO[C@H](CN(C)C)C1 ZINC000107305484 543265463 /nfs/dbraw/zinc/26/54/63/543265463.db2.gz BGHCJTBKSPQNAK-NVXWUHKLSA-N 0 3 359.470 2.215 10 0 FEAEHN CCn1cnnc1[C@@H]1CCCN(C(=O)c2ccccc2OCCN(C)C)C1 ZINC000110753041 543367585 /nfs/dbraw/zinc/36/75/85/543367585.db2.gz LFTBOZYBQWCTIV-MRXNPFEDSA-N 0 3 371.485 2.258 10 0 FEAEHN COc1cc(C(=O)N[C@H](CN(C)C)c2ccccc2)cc2c1OCCO2 ZINC000111139979 543382874 /nfs/dbraw/zinc/38/28/74/543382874.db2.gz HYTWEBDCBWFVRS-MRXNPFEDSA-N 0 3 356.422 2.499 10 0 FEAEHN Cc1ncc(/C=C/C(=O)N(C)C2CCN(CCn3cccn3)CC2)s1 ZINC000112297038 543440350 /nfs/dbraw/zinc/44/03/50/543440350.db2.gz KGAQSWUZBUOSFB-SNAWJCMRSA-N 0 3 359.499 2.284 10 0 FEAEHN COc1ccc(NC(=O)[C@@H](C)N[C@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000112551711 543451942 /nfs/dbraw/zinc/45/19/42/543451942.db2.gz WTMIBWFEQJLPAN-HIFRSBDPSA-N 0 3 357.458 2.342 10 0 FEAEHN CC(=O)N[C@@H]1CCCN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000113625936 543493523 /nfs/dbraw/zinc/49/35/23/543493523.db2.gz ATHUCKNJPIVSIN-CRAIPNDOSA-N 0 3 360.502 2.426 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)C1 ZINC000117458472 543632652 /nfs/dbraw/zinc/63/26/52/543632652.db2.gz RTAGTALPCGTHCC-HNNXBMFYSA-N 0 3 368.503 2.362 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCC(OC[C@H]3CCCO3)CC2)C1 ZINC000247486527 549342338 /nfs/dbraw/zinc/34/23/38/549342338.db2.gz WOFZOWDRIZQQCR-KBAYOESNSA-N 0 3 353.507 2.085 10 0 FEAEHN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000247485573 549342656 /nfs/dbraw/zinc/34/26/56/549342656.db2.gz WMQZMRVINXMYJV-KPZWWZAWSA-N 0 3 360.458 2.062 10 0 FEAEHN CC[C@@](C)(O)CN1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000123509321 543766201 /nfs/dbraw/zinc/76/62/01/543766201.db2.gz SESJIPCONGHNRE-RNODOKPDSA-N 0 3 360.454 2.462 10 0 FEAEHN CCn1cnnc1[C@H]1CCCN(C[C@H](O)COCc2ccccc2F)C1 ZINC000126209635 543923553 /nfs/dbraw/zinc/92/35/53/543923553.db2.gz RIHGUZROBNSJNU-RDJZCZTQSA-N 0 3 362.449 2.194 10 0 FEAEHN COC(=O)COc1c(C)cc(CN2CCC[C@H](Cn3cncn3)C2)cc1C ZINC000128607363 544062324 /nfs/dbraw/zinc/06/23/24/544062324.db2.gz SVUYZRMIWJPRJO-KRWDZBQOSA-N 0 3 372.469 2.359 10 0 FEAEHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000247492683 549344049 /nfs/dbraw/zinc/34/40/49/549344049.db2.gz ULDJKWCELJQNKV-OAGGEKHMSA-N 0 3 351.491 2.377 10 0 FEAEHN CCC[C@H](C(=O)N1CCN(Cc2cc(OC)cc(OC)c2)CC1)N(C)C ZINC000128462377 544053898 /nfs/dbraw/zinc/05/38/98/544053898.db2.gz POEUBNQRSZPQOB-LJQANCHMSA-N 0 3 363.502 2.078 10 0 FEAEHN CC(=O)Nc1cc(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)ccc1C ZINC000129388484 544109231 /nfs/dbraw/zinc/10/92/31/544109231.db2.gz HPHNCAKNXQSLJF-QGZVFWFLSA-N 0 3 374.485 2.129 10 0 FEAEHN CC(C)COc1ccc([C@@H](C)NC(=O)NC[C@](C)(O)CN(C)C)cc1 ZINC000130827968 544166821 /nfs/dbraw/zinc/16/68/21/544166821.db2.gz IRFRTHUYVZDREH-BEFAXECRSA-N 0 3 351.491 2.394 10 0 FEAEHN CN(CC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1CCn2cncc2C1 ZINC000130840760 544167630 /nfs/dbraw/zinc/16/76/30/544167630.db2.gz WWIXNWAVJKDGPV-QGZVFWFLSA-N 0 3 353.470 2.216 10 0 FEAEHN CCC[C@H](C(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1)N(C)C ZINC000130972591 544172620 /nfs/dbraw/zinc/17/26/20/544172620.db2.gz DLWOWQAOSYYFLS-CVEARBPZSA-N 0 3 353.532 2.310 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)[C@H](C(=O)OC)c1cc(OC)cc(OC)c1 ZINC000137817732 544393020 /nfs/dbraw/zinc/39/30/20/544393020.db2.gz VRUAMSCHSPOXPA-QAPCUYQASA-N 0 3 350.459 2.334 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccccc2OC(F)(F)F)C1 ZINC000150784030 544470390 /nfs/dbraw/zinc/47/03/90/544470390.db2.gz DEVJMLLZIVCGLZ-YPMHNXCESA-N 0 3 373.375 2.369 10 0 FEAEHN Cc1ccc2cccc(NC(=O)C(=O)N[C@H]3CN(C(C)C)C[C@@H]3C)c2n1 ZINC000150793874 544472799 /nfs/dbraw/zinc/47/27/99/544472799.db2.gz PICCZDVEVPIAHV-GUYCJALGSA-N 0 3 354.454 2.327 10 0 FEAEHN C[C@H](NC[C@H](O)CN1CCc2ccccc2C1)c1ccc([S@@](C)=O)cc1 ZINC000151793832 544581559 /nfs/dbraw/zinc/58/15/59/544581559.db2.gz CYHLBFXAFKKYIF-DYAGGBNNSA-N 0 3 372.534 2.494 10 0 FEAEHN CCC[C@@H](C(=O)NC[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1)N(C)C ZINC000153864124 544833276 /nfs/dbraw/zinc/83/32/76/544833276.db2.gz UEWSNSVZNDECGF-KXBFYZLASA-N 0 3 363.502 2.377 10 0 FEAEHN O[C@H](COCc1ccccc1F)CN1CCC(Nc2cccnn2)CC1 ZINC000155049767 544981811 /nfs/dbraw/zinc/98/18/11/544981811.db2.gz WXEYHUJCIWQILT-KRWDZBQOSA-N 0 3 360.433 2.070 10 0 FEAEHN CN(C)C[C@H](NC(=O)CSc1nnc2ccccn21)c1ccccc1 ZINC000182994629 327797003 /nfs/dbraw/zinc/79/70/03/327797003.db2.gz CGZTUSXFGWFTBT-HNNXBMFYSA-N 0 3 355.467 2.241 10 0 FEAEHN CC(C)COc1ncc(C(=O)N2CCO[C@H](CN(C)C)C2)cc1Cl ZINC000183122607 327802558 /nfs/dbraw/zinc/80/25/58/327802558.db2.gz HKOIIBCIDBUPIY-CQSZACIVSA-N 0 3 355.866 2.172 10 0 FEAEHN OCCOCCCN[C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186389428 327959538 /nfs/dbraw/zinc/95/95/38/327959538.db2.gz LKYVIRJOVDOYOV-MRXNPFEDSA-N 0 3 366.259 2.317 10 0 FEAEHN CC(C)(C)OC(=O)N1CC=C(CNC(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000188050645 328062835 /nfs/dbraw/zinc/06/28/35/328062835.db2.gz RIDWQZQVJVHJMD-MRXNPFEDSA-N 0 3 364.490 2.043 10 0 FEAEHN Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC[C@H]1Cn1ccnc1 ZINC000188420348 328085883 /nfs/dbraw/zinc/08/58/83/328085883.db2.gz OMEPNGPATQYPKD-KRWDZBQOSA-N 0 3 359.474 2.313 10 0 FEAEHN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NC1CCN(C2CC2)CC1 ZINC000189681176 328161795 /nfs/dbraw/zinc/16/17/95/328161795.db2.gz ZZTUQFJXNCYSFL-SWLSCSKDSA-N 0 3 355.454 2.077 10 0 FEAEHN C[C@H]1CN(CCC2CCN(C(=O)c3cnn4ccncc34)CC2)C[C@H](C)O1 ZINC000189904917 328175228 /nfs/dbraw/zinc/17/52/28/328175228.db2.gz GXBNRLUYJVAXSV-HOTGVXAUSA-N 0 3 371.485 2.081 10 0 FEAEHN CC(C)N1CC[C@@H](N2CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC2)C1=O ZINC000190508331 328212504 /nfs/dbraw/zinc/21/25/04/328212504.db2.gz NJMGGASKMIIKBR-DLBZAZTESA-N 0 3 367.534 2.124 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2c[nH]c(=S)[nH]2)C1 ZINC000190573166 328216952 /nfs/dbraw/zinc/21/69/52/328216952.db2.gz FHLRYJIIZLRDQY-LLVKDONJSA-N 0 3 351.501 2.057 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2)C1 ZINC000190528890 328214125 /nfs/dbraw/zinc/21/41/25/328214125.db2.gz PFWRVCASKHWWAT-HNNXBMFYSA-N 0 3 372.494 2.371 10 0 FEAEHN COc1ccccc1NCC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190665991 328223157 /nfs/dbraw/zinc/22/31/57/328223157.db2.gz JKZROMWKKMGVQS-SFHVURJKSA-N 0 3 368.481 2.483 10 0 FEAEHN Cc1cnccc1CNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190735976 328229182 /nfs/dbraw/zinc/22/91/82/328229182.db2.gz MEDRJVFZPFSBFD-SFHVURJKSA-N 0 3 353.470 2.449 10 0 FEAEHN COC1(CNC(=O)N2CC[C@@H](CN(C)Cc3scnc3C)C2)CCC1 ZINC000190732902 328228814 /nfs/dbraw/zinc/22/88/14/328228814.db2.gz SCSBMWQGHQSKHM-HNNXBMFYSA-N 0 3 366.531 2.484 10 0 FEAEHN CCN(CC(=O)OC(C)(C)C)C1CCN(Cc2cn(C)nc2C)CC1 ZINC000190830432 328234770 /nfs/dbraw/zinc/23/47/70/328234770.db2.gz AYHQKNZGTKWDGR-UHFFFAOYSA-N 0 3 350.507 2.357 10 0 FEAEHN CN([C@H]1CCCN(c2cccnn2)C1)[C@@H]1CCc2ccccc2NC1=O ZINC000191998434 328292914 /nfs/dbraw/zinc/29/29/14/328292914.db2.gz FSDKVGCITNOUPV-FUHWJXTLSA-N 0 3 351.454 2.331 10 0 FEAEHN O=C(Cc1ccc(I)cc1)N1CCN2CCC[C@@H]2C1 ZINC000192040548 328296163 /nfs/dbraw/zinc/29/61/63/328296163.db2.gz ARDFMTHULWYNON-CQSZACIVSA-N 0 3 370.234 2.140 10 0 FEAEHN O=C(Cc1ccc(I)cc1)N1CCN2CCC[C@H]2C1 ZINC000192040555 328296269 /nfs/dbraw/zinc/29/62/69/328296269.db2.gz ARDFMTHULWYNON-AWEZNQCLSA-N 0 3 370.234 2.140 10 0 FEAEHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCC[C@H]1Cc1ccccc1 ZINC000193153039 328359926 /nfs/dbraw/zinc/35/99/26/328359926.db2.gz HZTCNHOODVRMES-ROUUACIJSA-N 0 3 364.445 2.351 10 0 FEAEHN C[C@H]([NH3+])CCC(=O)Nc1cc(S(=O)(=O)[N-]C(C)(C)C)c(F)cc1F ZINC000193265438 328366069 /nfs/dbraw/zinc/36/60/69/328366069.db2.gz KUBKOYDKXKBSOO-VIFPVBQESA-N 0 3 363.430 2.108 10 0 FEAEHN Cc1c(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cnn1C1CCCC1 ZINC000193536593 328380575 /nfs/dbraw/zinc/38/05/75/328380575.db2.gz FLNUFILFTXSQTJ-SUMWQHHRSA-N 0 3 361.490 2.090 10 0 FEAEHN O=C(C1CCN(C2CC2)CC1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000194829867 328442459 /nfs/dbraw/zinc/44/24/59/328442459.db2.gz KRYXJSZAIIOCIT-MAUKXSAKSA-N 0 3 350.409 2.474 10 0 FEAEHN CN(C)C[C@@H](NC(=O)CCNC(=O)Cc1ccccc1)c1ccccc1 ZINC000026323148 324426043 /nfs/dbraw/zinc/42/60/43/324426043.db2.gz AROCNHYFMNTHFQ-LJQANCHMSA-N 0 3 353.466 2.155 10 0 FEAEHN CN(C)C[C@H](NC(=O)Cc1csc(N2CCCC2=O)n1)c1ccccc1 ZINC000052556409 324719428 /nfs/dbraw/zinc/71/94/28/324719428.db2.gz LVKHFBWBKHNSFW-INIZCTEOSA-N 0 3 372.494 2.232 10 0 FEAEHN Clc1ccc(C2=NO[C@H](CN3CCN(C[C@H]4CCOC4)CC3)C2)cc1 ZINC000091676184 325389353 /nfs/dbraw/zinc/38/93/53/325389353.db2.gz KLJIYWUQVTVXJB-QAPCUYQASA-N 0 3 363.889 2.487 10 0 FEAEHN Cc1cccc(OC[C@@H](O)CNC(=O)N[C@@H](CC(C)C)CN(C)C)c1 ZINC000098118102 325467592 /nfs/dbraw/zinc/46/75/92/325467592.db2.gz CQYWFPWHEUGSAK-IRXDYDNUSA-N 0 3 351.491 2.010 10 0 FEAEHN COc1ccc(C(=O)Nc2cccc(CNC[C@H]3CN(C)CCO3)c2)cc1 ZINC000105471837 325567449 /nfs/dbraw/zinc/56/74/49/325567449.db2.gz MGZRHZVVQCPDBE-FQEVSTJZSA-N 0 3 369.465 2.368 10 0 FEAEHN O=C1CCCN1C[C@H](O)CN1CCC(c2nc3ccccc3s2)CC1 ZINC000111683218 325730766 /nfs/dbraw/zinc/73/07/66/325730766.db2.gz AOXGSHQTWJHTNA-OAHLLOKOSA-N 0 3 359.495 2.459 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)c1nc(=O)c3c(C)c(C)sc3[nH]1)CC2 ZINC000112550717 325790206 /nfs/dbraw/zinc/79/02/06/325790206.db2.gz VNSQBCCLIZWHAI-CMPLNLGQSA-N 0 3 372.498 2.421 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@H](C)C(=O)Nc1ccc3c(c1)OCO3)CC2 ZINC000112551655 325791252 /nfs/dbraw/zinc/79/12/52/325791252.db2.gz IONYSLNPDGXYNR-TZMCWYRMSA-N 0 3 371.441 2.062 10 0 FEAEHN C[C@H](Oc1ccccc1Br)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000116793088 326035674 /nfs/dbraw/zinc/03/56/74/326035674.db2.gz QKHBPOGOVHJYMK-STQMWFEESA-N 0 3 371.275 2.005 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)CCO1 ZINC000116797357 326036785 /nfs/dbraw/zinc/03/67/85/326036785.db2.gz ZXSMXDWOMBPBPC-KRWDZBQOSA-N 0 3 354.454 2.152 10 0 FEAEHN C[C@@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)c1ccc(OC(F)F)cc1 ZINC000117032446 326048217 /nfs/dbraw/zinc/04/82/17/326048217.db2.gz DSOAWMWHDQEIHO-DOMZBBRYSA-N 0 3 357.401 2.321 10 0 FEAEHN O=C(NC[C@H]1CCCC[C@H]1O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000119043040 326121493 /nfs/dbraw/zinc/12/14/93/326121493.db2.gz PPEMJTIPKLVHBF-WOJBJXKFSA-N 0 3 360.498 2.172 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000119217749 326138284 /nfs/dbraw/zinc/13/82/84/326138284.db2.gz PSPJGZGEHWQWBP-ZHALLVOQSA-N 0 3 361.461 2.288 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)Nc2ccccc2C(=O)N2CCOCC2)[C@@H](C)C1 ZINC000119292186 326146595 /nfs/dbraw/zinc/14/65/95/326146595.db2.gz LPAQKAFIGIYJLV-YJBOKZPZSA-N 0 3 374.485 2.009 10 0 FEAEHN COc1cc(CN(C)[C@@H]2CCCN(c3cccnn3)C2)cc2c1OCCO2 ZINC000120191745 326239324 /nfs/dbraw/zinc/23/93/24/326239324.db2.gz XZNHHMWMFWWUCQ-MRXNPFEDSA-N 0 3 370.453 2.357 10 0 FEAEHN CCC[C@H](C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1)N(C)C ZINC000120271352 326245608 /nfs/dbraw/zinc/24/56/08/326245608.db2.gz LWNJVOVUIPBDSV-LJQANCHMSA-N 0 3 374.529 2.116 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000120385656 326254807 /nfs/dbraw/zinc/25/48/07/326254807.db2.gz JZAZMYCOGWYJLO-QAPCUYQASA-N 0 3 374.485 2.009 10 0 FEAEHN CCc1ccc([C@H](C)NCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000120441581 326259100 /nfs/dbraw/zinc/25/91/00/326259100.db2.gz AFIFYZUFSKHKNA-ZDUSSCGKSA-N 0 3 361.467 2.186 10 0 FEAEHN CC1(C)C[C@@H](NC(=O)NC[C@H](O)CN2CCCCC2)c2ccccc2O1 ZINC000121068166 326310645 /nfs/dbraw/zinc/31/06/45/326310645.db2.gz JFIULZYEQXQRIV-DOTOQJQBSA-N 0 3 361.486 2.435 10 0 FEAEHN CN(C)C[C@@H]1CN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)CCO1 ZINC000121268283 326325804 /nfs/dbraw/zinc/32/58/04/326325804.db2.gz SVCKYFLOLVLOJU-CQSZACIVSA-N 0 3 362.499 2.439 10 0 FEAEHN CC(C)n1cccc1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000122035930 326381510 /nfs/dbraw/zinc/38/15/10/326381510.db2.gz DWWBXGPNKOYXNI-UHFFFAOYSA-N 0 3 355.486 2.488 10 0 FEAEHN COc1cc(NC(=O)N2CCO[C@@H](CN(C)C)C2)ccc1Br ZINC000129676998 326544629 /nfs/dbraw/zinc/54/46/29/326544629.db2.gz BNUGLXNYOIUWRW-LBPRGKRZSA-N 0 3 372.263 2.252 10 0 FEAEHN CC[C@H](C(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1)N(C)C ZINC000131759884 326581387 /nfs/dbraw/zinc/58/13/87/326581387.db2.gz JTEDWXIKRMATJH-WOJBJXKFSA-N 0 3 361.530 2.231 10 0 FEAEHN CN1CCO[C@@H](CNCc2cccc3c2N(C(=O)OC(C)(C)C)CC3)C1 ZINC000150775259 326667527 /nfs/dbraw/zinc/66/75/27/326667527.db2.gz JCJSYVYQBKVEDJ-KRWDZBQOSA-N 0 3 361.486 2.404 10 0 FEAEHN Cc1c(C(=O)NC[C@@H](O)CN2CCCCC2)cnn1-c1cc(C)ccc1C ZINC000153191958 326726547 /nfs/dbraw/zinc/72/65/47/326726547.db2.gz CGLFTSUEBKPMOG-GOSISDBHSA-N 0 3 370.497 2.374 10 0 FEAEHN C[C@H](NC(=O)N1CCC[C@H]1CN1CCCCC1)C(=O)N1CCCCC1 ZINC000153419031 326732468 /nfs/dbraw/zinc/73/24/68/326732468.db2.gz KAUYQLGJEBEYBW-IRXDYDNUSA-N 0 3 350.507 2.047 10 0 FEAEHN CN(C(=O)c1ccn(C2CCCC2)n1)C1CCN(CCn2cccn2)CC1 ZINC000153816720 326743536 /nfs/dbraw/zinc/74/35/36/326743536.db2.gz HTMUFIRPBIUBTJ-UHFFFAOYSA-N 0 3 370.501 2.431 10 0 FEAEHN Cc1ccc(Cc2nc(C(=O)N3CCO[C@@H](CN(C)C)C3)cs2)cc1 ZINC000157093326 326854447 /nfs/dbraw/zinc/85/44/47/326854447.db2.gz PXSCBJRLHBKMOH-INIZCTEOSA-N 0 3 359.495 2.445 10 0 FEAEHN CC[C@H](C(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1)N(C)C ZINC000164276629 327067567 /nfs/dbraw/zinc/06/75/67/327067567.db2.gz UFTUBURGZPYIME-QGZVFWFLSA-N 0 3 356.470 2.326 10 0 FEAEHN CCCOc1ccc(NC(=O)C(=O)N2CC[C@H](N(C)C)C2)cc1Cl ZINC000170843578 327102075 /nfs/dbraw/zinc/10/20/75/327102075.db2.gz CUJYDURLTKJRPF-ZDUSSCGKSA-N 0 3 353.850 2.230 10 0 FEAEHN CN(C(=O)c1ccco1)c1ccccc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000170982694 327110953 /nfs/dbraw/zinc/11/09/53/327110953.db2.gz HUZBBSYWHUQANE-HNNXBMFYSA-N 0 3 353.422 2.476 10 0 FEAEHN CC(C)COC[C@@H](NC(=O)NC[C@@H](O)CN1CCCCC1)c1ccco1 ZINC000171219189 327125478 /nfs/dbraw/zinc/12/54/78/327125478.db2.gz AQKOREVHTZVYFD-IAGOWNOFSA-N 0 3 367.490 2.139 10 0 FEAEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171349936 327134175 /nfs/dbraw/zinc/13/41/75/327134175.db2.gz DRVMQVPVBRSKRD-MOPGFXCFSA-N 0 3 355.486 2.440 10 0 FEAEHN C[C@H]1CN(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CCS1 ZINC000171739059 327157960 /nfs/dbraw/zinc/15/79/60/327157960.db2.gz QKWWDMAMWPWCND-INIZCTEOSA-N 0 3 362.543 2.081 10 0 FEAEHN O=C(NCc1ccc(N2CCCCCC2)nc1)N1CCN2CCC[C@@H]2C1 ZINC000171900450 327168662 /nfs/dbraw/zinc/16/86/62/327168662.db2.gz FALQEAUDROONAV-GOSISDBHSA-N 0 3 357.502 2.452 10 0 FEAEHN C[C@@H](NC(=O)N1CCN2CCC[C@@H]2C1)c1cccc(N2CCOC2=O)c1 ZINC000171904804 327169484 /nfs/dbraw/zinc/16/94/84/327169484.db2.gz NPWHJNNTRNIBMW-RHSMWYFYSA-N 0 3 358.442 2.194 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NCc2ccc(Br)c(F)c2)CCO1 ZINC000172129659 327182593 /nfs/dbraw/zinc/18/25/93/327182593.db2.gz VKDUFOVPIMDACB-LBPRGKRZSA-N 0 3 374.254 2.060 10 0 FEAEHN O=C(NCC1CCN(C(=O)c2ccccc2)CC1)N1CCN2CCC[C@@H]2C1 ZINC000172630165 327212796 /nfs/dbraw/zinc/21/27/96/327212796.db2.gz YFIDFQRDGRNJRE-LJQANCHMSA-N 0 3 370.497 2.028 10 0 FEAEHN O=C(CCN1CCN2CCCC[C@@H]2C1)Nc1ccc(N2CCOCC2)cc1 ZINC000172800762 327220029 /nfs/dbraw/zinc/22/00/29/327220029.db2.gz PQRGYNDIQYDBTD-HXUWFJFHSA-N 0 3 372.513 2.022 10 0 FEAEHN O=C(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)N1CCSCC1 ZINC000173495932 327261271 /nfs/dbraw/zinc/26/12/71/327261271.db2.gz KNZYYXHXBNEXCT-GOSISDBHSA-N 0 3 363.527 2.190 10 0 FEAEHN C[C@@H](NC(=O)NC[C@H](O)CN1CCCCC1)c1cccc(-n2cccn2)c1 ZINC000173697539 327277831 /nfs/dbraw/zinc/27/78/31/327277831.db2.gz PJAMITHURIBWHT-APWZRJJASA-N 0 3 371.485 2.079 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000173913171 327294096 /nfs/dbraw/zinc/29/40/96/327294096.db2.gz IRMLSIPWOREYEX-UKRRQHHQSA-N 0 3 364.877 2.181 10 0 FEAEHN CCn1cc(C2CCN(C(=O)Nc3ccn(CCN(C)C)n3)CC2)cn1 ZINC000173939064 327296158 /nfs/dbraw/zinc/29/61/58/327296158.db2.gz NYFSQXAOVJMZPE-UHFFFAOYSA-N 0 3 359.478 2.073 10 0 FEAEHN CCc1cc(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)[nH]n1 ZINC000174849793 327354989 /nfs/dbraw/zinc/35/49/89/327354989.db2.gz QVHLMKIGQJCWQG-LJQANCHMSA-N 0 3 356.470 2.148 10 0 FEAEHN CCc1cc(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)[nH]n1 ZINC000174849786 327355064 /nfs/dbraw/zinc/35/50/64/327355064.db2.gz QVHLMKIGQJCWQG-IBGZPJMESA-N 0 3 356.470 2.148 10 0 FEAEHN CCc1cc(N2CCC(NC(=O)N(C)C[C@H]3CCCN3CC)CC2)ncn1 ZINC000175470195 327394550 /nfs/dbraw/zinc/39/45/50/327394550.db2.gz UFBDHMRWJNBNRM-GOSISDBHSA-N 0 3 374.533 2.134 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000175864323 327418718 /nfs/dbraw/zinc/41/87/18/327418718.db2.gz NBJYSPUHJHHIJG-ZIAGYGMSSA-N 0 3 352.445 2.241 10 0 FEAEHN O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)[C@H]1CNC(=O)C1 ZINC000176663732 327468872 /nfs/dbraw/zinc/46/88/72/327468872.db2.gz JUOUSBGVDGXCPC-HXUWFJFHSA-N 0 3 365.477 2.331 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000176973784 327488131 /nfs/dbraw/zinc/48/81/31/327488131.db2.gz CPBCWNRVXRMWCH-KRWDZBQOSA-N 0 3 371.485 2.118 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000246392475 328613837 /nfs/dbraw/zinc/61/38/37/328613837.db2.gz ISJKLFHUAINQSH-INDMIFKZSA-N 0 3 368.566 2.246 10 0 FEAEHN CCc1noc([C@H](C)N2CCN(C(=O)[C@H](C)N3[C@H](C)CC[C@H]3C)CC2)n1 ZINC000246702920 328638505 /nfs/dbraw/zinc/63/85/05/328638505.db2.gz YSIQQOGMRWYZQN-WCVJEAGWSA-N 0 3 363.506 2.099 10 0 FEAEHN CN1C(=O)C[C@H](NC[C@@H](O)COC(C)(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000248957298 328749251 /nfs/dbraw/zinc/74/92/51/328749251.db2.gz BRMBBUIXVYHCQW-VYDXJSESSA-N 0 3 354.878 2.377 10 0 FEAEHN CCOC(=O)COc1ccc(CN2CCNC[C@@H]2c2cccnc2)cc1 ZINC000261665324 328809619 /nfs/dbraw/zinc/80/96/19/328809619.db2.gz GMATXJBQMGUAIO-LJQANCHMSA-N 0 3 355.438 2.170 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(CSCC(=O)c2ccc(Cl)cc2)n1 ZINC000263291664 328930946 /nfs/dbraw/zinc/93/09/46/328930946.db2.gz VSRNGMGANGBDSL-CYBMUJFWSA-N 0 3 366.874 2.415 10 0 FEAEHN CC[C@@H](C(=O)N1CCN(c2cc(N(C)C)cnn2)CC1)c1ccccc1 ZINC000224311026 535403761 /nfs/dbraw/zinc/40/37/61/535403761.db2.gz YNBJKWAYORKBSG-GOSISDBHSA-N 0 3 353.470 2.385 10 0 FEAEHN O=C1CCCN1C[C@H](O)CN(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000157228452 545714563 /nfs/dbraw/zinc/71/45/63/545714563.db2.gz HBRQULGDQJMUKF-HXUWFJFHSA-N 0 3 371.456 2.249 10 0 FEAEHN Cc1csc([C@@H](NC(=O)NC[C@H](O)CN2CCCCC2)C2CC2)n1 ZINC000175835723 546359585 /nfs/dbraw/zinc/35/95/85/546359585.db2.gz OEBMYZRYEHZGDE-GJZGRUSLSA-N 0 3 352.504 2.049 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2ccccc2NCc2cccnc2)CCO1 ZINC000176159989 546415183 /nfs/dbraw/zinc/41/51/83/546415183.db2.gz BLCOKWQFYNJSLT-QGZVFWFLSA-N 0 3 354.454 2.096 10 0 FEAEHN CN(C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176604478 546467090 /nfs/dbraw/zinc/46/70/90/546467090.db2.gz HHFRCHIOPRMNCG-INIZCTEOSA-N 0 3 360.437 2.026 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2N(C)C)[C@@H](C)C1 ZINC000176750730 546483140 /nfs/dbraw/zinc/48/31/40/546483140.db2.gz QEWZWTQFQFFKJU-WFASDCNBSA-N 0 3 366.893 2.189 10 0 FEAEHN CCCCN(C)C(=O)C1CCN(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)CC1 ZINC000176851041 546496064 /nfs/dbraw/zinc/49/60/64/546496064.db2.gz NZVWLBWKXSBPGV-FUHWJXTLSA-N 0 3 366.550 2.395 10 0 FEAEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)Nc1cnn(C)c1 ZINC000176975886 546517324 /nfs/dbraw/zinc/51/73/24/546517324.db2.gz PHOGTZDUPPCIDS-LJQANCHMSA-N 0 3 371.485 2.329 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Cc1csc(NC(=O)C(C)C)n1 ZINC000176978329 546518590 /nfs/dbraw/zinc/51/85/90/546518590.db2.gz SYDNNEBMUJXSOH-AWEZNQCLSA-N 0 3 352.504 2.223 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1 ZINC000176986005 546519862 /nfs/dbraw/zinc/51/98/62/546519862.db2.gz FDCPXSGNROTAQB-SFHVURJKSA-N 0 3 370.497 2.346 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C[C@H](NC(C)=O)c1ccc(F)cc1F ZINC000177004511 546521564 /nfs/dbraw/zinc/52/15/64/546521564.db2.gz KCLBSYYMSOTLEP-QAPCUYQASA-N 0 3 367.440 2.475 10 0 FEAEHN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@@H]1CCCN(CC)C1 ZINC000177311630 546592217 /nfs/dbraw/zinc/59/22/17/546592217.db2.gz BCAYKEYBZFGUFW-OAHLLOKOSA-N 0 3 362.474 2.393 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1CN1CCCC1=O ZINC000177330731 546596325 /nfs/dbraw/zinc/59/63/25/546596325.db2.gz DYOUWRGNRBFWPU-LJQANCHMSA-N 0 3 372.513 2.435 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1ccccc1CN1CCCC1=O ZINC000177330748 546596994 /nfs/dbraw/zinc/59/69/94/546596994.db2.gz DYOUWRGNRBFWPU-IBGZPJMESA-N 0 3 372.513 2.435 10 0 FEAEHN CC(C)N(C)CC(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000177455622 546623155 /nfs/dbraw/zinc/62/31/55/546623155.db2.gz WAKJQDMFMHYZRX-HXUWFJFHSA-N 0 3 361.530 2.231 10 0 FEAEHN O=C(Nc1ccc(OC(F)F)c(Cl)c1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177686598 546667342 /nfs/dbraw/zinc/66/73/42/546667342.db2.gz UMZIHRIBLBVDNC-NSHDSACASA-N 0 3 373.787 2.187 10 0 FEAEHN Cc1cc(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)ccc1C(F)(F)F ZINC000177686916 546668151 /nfs/dbraw/zinc/66/81/51/546668151.db2.gz TZEBYWVBRZQGPR-ZDUSSCGKSA-N 0 3 355.360 2.259 10 0 FEAEHN CNC(=O)[C@H](NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1)C(C)C ZINC000178411561 546789171 /nfs/dbraw/zinc/78/91/71/546789171.db2.gz YEURRTALCJWQJH-BMFZPTHFSA-N 0 3 366.531 2.201 10 0 FEAEHN Cc1ccc(CNC(=O)c2nnc(CN3CCN4CCC[C@@H]4C3)s2)cc1 ZINC000178625260 546821758 /nfs/dbraw/zinc/82/17/58/546821758.db2.gz YMXWABLKPBQUGG-MRXNPFEDSA-N 0 3 371.510 2.057 10 0 FEAEHN CC(C)N1C[C@H](NS(=O)(=O)c2c[nH]c3nccc(Cl)c23)[C@@H](C)C1 ZINC000179378945 546943525 /nfs/dbraw/zinc/94/35/25/546943525.db2.gz AZAHEVBKBCFNSJ-JQWIXIFHSA-N 0 3 356.879 2.223 10 0 FEAEHN COc1ccc([C@@H](C)CN2CCN(c3cc(C)nc4ncnn43)CC2)cc1 ZINC000179684425 546997996 /nfs/dbraw/zinc/99/79/96/546997996.db2.gz AKSHDUTXKIJJJB-HNNXBMFYSA-N 0 3 366.469 2.367 10 0 FEAEHN CC(C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)Cc1ccc(CO)cc1 ZINC000180161493 547060752 /nfs/dbraw/zinc/06/07/52/547060752.db2.gz NAZBJSMDPQIYKB-GJZGRUSLSA-N 0 3 361.463 2.360 10 0 FEAEHN CCc1nn(C)cc1C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000180332960 547085987 /nfs/dbraw/zinc/08/59/87/547085987.db2.gz TXALJRVXHKSTPX-FQEVSTJZSA-N 0 3 370.497 2.158 10 0 FEAEHN COCCOC1CCN(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)CC1 ZINC000181330607 547294065 /nfs/dbraw/zinc/29/40/65/547294065.db2.gz SVYBXKACYNBAND-KRWDZBQOSA-N 0 3 363.502 2.344 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000181887468 547399037 /nfs/dbraw/zinc/39/90/37/547399037.db2.gz SILAUCKIQJHORX-QGZVFWFLSA-N 0 3 367.453 2.025 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(CNC(N)=O)cc1 ZINC000182076819 547433256 /nfs/dbraw/zinc/43/32/56/547433256.db2.gz NBOIDSDVUDAPAU-HNNXBMFYSA-N 0 3 354.454 2.105 10 0 FEAEHN CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000182278750 547465619 /nfs/dbraw/zinc/46/56/19/547465619.db2.gz NVCZGSTZEHEMFT-CABCVRRESA-N 0 3 364.456 2.386 10 0 FEAEHN CC[C@H]1CCCCN1C(=O)C(C)S(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000182390501 547483691 /nfs/dbraw/zinc/48/36/91/547483691.db2.gz GPBAIQZAXIHQBQ-KGLIPLIRSA-N 0 3 370.519 2.033 10 0 FEAEHN CCC[C@H](N)C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000182630969 547525045 /nfs/dbraw/zinc/52/50/45/547525045.db2.gz PAUMFXRQFFQDJN-AWEZNQCLSA-N 0 3 370.291 2.029 10 0 FEAEHN C[C@@H](NCC(=O)Nc1ccccc1C(=O)NC1CCCC1)[C@H]1CCCO1 ZINC000183180488 547616932 /nfs/dbraw/zinc/61/69/32/547616932.db2.gz LQDZQUFPEDKMSA-RDTXWAMCSA-N 0 3 359.470 2.455 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@@H](Cc1ccc(Cl)cc1)C(N)=O)CC2 ZINC000185925873 548060092 /nfs/dbraw/zinc/06/00/92/548060092.db2.gz WBIVTNCEILGCSP-CABCVRRESA-N 0 3 361.877 2.056 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)Cc2[nH]nc3ccccc32)C1 ZINC000190603196 548330297 /nfs/dbraw/zinc/33/02/97/548330297.db2.gz FKTVYSVGJLNKTI-KRWDZBQOSA-N 0 3 363.465 2.481 10 0 FEAEHN Cc1cc(C)n([C@@H](C)C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)n1 ZINC000190603649 548330386 /nfs/dbraw/zinc/33/03/86/548330386.db2.gz PFFDQMRCUYCOQZ-PKOBYXMFSA-N 0 3 355.486 2.436 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC000190636810 548331418 /nfs/dbraw/zinc/33/14/18/548331418.db2.gz UALIKRJLTYQBGJ-INIZCTEOSA-N 0 3 366.465 2.241 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000194162855 548443126 /nfs/dbraw/zinc/44/31/26/548443126.db2.gz KEOYMBGOTGNUPF-QWHCGFSZSA-N 0 3 370.375 2.124 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000194311360 548464371 /nfs/dbraw/zinc/46/43/71/548464371.db2.gz XIVJHLFWDNQMCD-XFJVYGCCSA-N 0 3 365.271 2.448 10 0 FEAEHN O=C(C1CCN(C2CC2)CC1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000194829895 548537311 /nfs/dbraw/zinc/53/73/11/548537311.db2.gz KRYXJSZAIIOCIT-CRAIPNDOSA-N 0 3 350.409 2.474 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)[C@H]1CNC(=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000194880502 548544376 /nfs/dbraw/zinc/54/43/76/548544376.db2.gz BRUWSQQHNJXNST-HIFRSBDPSA-N 0 3 371.403 2.341 10 0 FEAEHN C[C@@H]1CN(Cc2ccc(C(=O)N3CCN4CCC[C@@H]4C3)cc2)C[C@H](C)O1 ZINC000195330589 548626091 /nfs/dbraw/zinc/62/60/91/548626091.db2.gz FZUGKFRPTQFQQJ-FUHIMQAGSA-N 0 3 357.498 2.216 10 0 FEAEHN COc1ccc(-c2noc(CCCC(=O)N3CCN4CCC[C@@H]4C3)n2)cc1 ZINC000195331581 548626188 /nfs/dbraw/zinc/62/61/88/548626188.db2.gz ODVGWBTYKUAKMG-MRXNPFEDSA-N 0 3 370.453 2.375 10 0 FEAEHN CCOC(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCCN1CC(C)C ZINC000195432253 548638396 /nfs/dbraw/zinc/63/83/96/548638396.db2.gz XEIGAYTVEAMWQG-OAHLLOKOSA-N 0 3 368.499 2.262 10 0 FEAEHN Cc1ccc(S(=O)(=O)N2C[C@H](N(C)C)[C@@H](C)C2)c(Br)c1 ZINC000228129740 548752766 /nfs/dbraw/zinc/75/27/66/548752766.db2.gz AVEMZIUBMPIPQN-AAEUAGOBSA-N 0 3 361.305 2.328 10 0 FEAEHN CCC[C@H](N)C(=O)N1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000236837334 548783381 /nfs/dbraw/zinc/78/33/81/548783381.db2.gz YGTDTUXPYQSPGQ-RDJZCZTQSA-N 0 3 371.485 2.378 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 ZINC000245429544 548916390 /nfs/dbraw/zinc/91/63/90/548916390.db2.gz KPJOPOVQVJZJEN-RTBURBONSA-N 0 3 357.498 2.163 10 0 FEAEHN CN(C)C[C@H]1CN(CC(=O)N[C@@H](c2cccs2)C(C)(C)C)CCO1 ZINC000245904588 549015628 /nfs/dbraw/zinc/01/56/28/549015628.db2.gz HESIROSCTJISOZ-YOEHRIQHSA-N 0 3 353.532 2.214 10 0 FEAEHN C[C@@H](NC(=O)[C@H](C)N[C@H]1CCc2ncnn2C1)c1cc2ccccc2o1 ZINC000245924372 549020033 /nfs/dbraw/zinc/02/00/33/549020033.db2.gz NOCJVDVQZIHWGN-IPYPFGDCSA-N 0 3 353.426 2.195 10 0 FEAEHN C[C@@H]1CN(Cc2ccc(CNC(=O)N3CC[C@@H](N(C)C)C3)cc2)C[C@@H](C)O1 ZINC000245996943 549033099 /nfs/dbraw/zinc/03/30/99/549033099.db2.gz CEXMRVQVWBLRMD-MBOZVWFJSA-N 0 3 374.529 2.141 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccc(C)c1C(=O)OC ZINC000246200739 549075905 /nfs/dbraw/zinc/07/59/05/549075905.db2.gz PNDBUCKOYSYPGK-CABCVRRESA-N 0 3 366.483 2.029 10 0 FEAEHN CCn1cnnc1[C@@H]1CCCN(C[C@@H](O)COCc2ccccc2F)C1 ZINC000246230768 549084939 /nfs/dbraw/zinc/08/49/39/549084939.db2.gz RIHGUZROBNSJNU-NVXWUHKLSA-N 0 3 362.449 2.194 10 0 FEAEHN CN(C)C[C@H]1CN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CCO1 ZINC000246575901 549164766 /nfs/dbraw/zinc/16/47/66/549164766.db2.gz RUFFLTYEDVGYJP-IRLDBZIGSA-N 0 3 370.493 2.356 10 0 FEAEHN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000246809497 549218044 /nfs/dbraw/zinc/21/80/44/549218044.db2.gz CBECMDFLSDQBLN-RDTXWAMCSA-N 0 3 366.465 2.367 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000246979791 549256304 /nfs/dbraw/zinc/25/63/04/549256304.db2.gz JRBWZNKMAUWKSU-NEWSRXKRSA-N 0 3 362.518 2.367 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000246979822 549256469 /nfs/dbraw/zinc/25/64/69/549256469.db2.gz JRBWZNKMAUWKSU-WDSOQIARSA-N 0 3 362.518 2.367 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000246979806 549256947 /nfs/dbraw/zinc/25/69/47/549256947.db2.gz JRBWZNKMAUWKSU-NZSAHSFTSA-N 0 3 362.518 2.367 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N[C@H]2CCCN(c3cccc(OC)c3)C2)C1 ZINC000247121558 549286630 /nfs/dbraw/zinc/28/66/30/549286630.db2.gz NZWXPVMBKJDQNT-IRXDYDNUSA-N 0 3 360.502 2.448 10 0 FEAEHN C(N1CCO[C@H]2CCCC[C@H]21)C1(CN2CCO[C@H]3CCCC[C@H]32)COC1 ZINC000247132770 549289190 /nfs/dbraw/zinc/28/91/90/549289190.db2.gz ZJGGUTZTWWVYJQ-ZRNYENFQSA-N 0 3 364.530 2.290 10 0 FEAEHN CCOCCN1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C[C@H]1C ZINC000247128904 549289252 /nfs/dbraw/zinc/28/92/52/549289252.db2.gz OKNUTHRSXPGJIK-UYAOXDASSA-N 0 3 359.514 2.220 10 0 FEAEHN C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CN(C)CCO2)CCN1Cc1ccccc1 ZINC000247283284 549311026 /nfs/dbraw/zinc/31/10/26/549311026.db2.gz DGYZUIJRLLTWLE-HOJAQTOUSA-N 0 3 374.529 2.012 10 0 FEAEHN Cc1nc(C)n(C[C@@H]2CCCN(C[C@@H](O)COc3ccc(C)cc3)C2)n1 ZINC000247771849 549378744 /nfs/dbraw/zinc/37/87/44/549378744.db2.gz PIOZMPMQCTVQGB-RTBURBONSA-N 0 3 358.486 2.355 10 0 FEAEHN CC[C@@H]1CN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CCN1CCOC ZINC000247980031 549397687 /nfs/dbraw/zinc/39/76/87/549397687.db2.gz HHTUBKYNQPBJJJ-AQNXPRMDSA-N 0 3 374.529 2.184 10 0 FEAEHN C[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CN1C1CC1 ZINC000248038251 549401473 /nfs/dbraw/zinc/40/14/73/549401473.db2.gz LNSQJMDIYRJULR-SKTNGFFKSA-N 0 3 359.445 2.087 10 0 FEAEHN CC(C)c1nnc2n1C[C@@H](NC(=O)NC[C@H](C)N1CCC[C@@H](C)C1)CC2 ZINC000248412656 549431982 /nfs/dbraw/zinc/43/19/82/549431982.db2.gz JYKFDQVBYUYFOQ-PMPSAXMXSA-N 0 3 362.522 2.136 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN([C@H]2CCN(C(C)C)C2=O)C1 ZINC000248637791 549474348 /nfs/dbraw/zinc/47/43/48/549474348.db2.gz AKWNITMTWLMKNH-CVEARBPZSA-N 0 3 350.532 2.215 10 0 FEAEHN CCCc1cnc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2CC)s1 ZINC000248656307 549478485 /nfs/dbraw/zinc/47/84/85/549478485.db2.gz DMWHNOWUEWHDOQ-CHWSQXEVSA-N 0 3 350.488 2.119 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCCN2CC)C12CCOCC2 ZINC000248672902 549481951 /nfs/dbraw/zinc/48/19/51/549481951.db2.gz BUJPRMWTQIRCSO-YESZJQIVSA-N 0 3 353.507 2.086 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc2ccn(C)c21 ZINC000248987693 549535728 /nfs/dbraw/zinc/53/57/28/549535728.db2.gz FIMHSXONWYISRI-HOTGVXAUSA-N 0 3 354.454 2.202 10 0 FEAEHN CC(C)N(C)C(=O)[C@@H](C)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000249077852 549547092 /nfs/dbraw/zinc/54/70/92/549547092.db2.gz RGKDSIWCPXLGKT-IAGOWNOFSA-N 0 3 369.550 2.370 10 0 FEAEHN CSc1c(F)cc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1F ZINC000249247308 549572173 /nfs/dbraw/zinc/57/21/73/549572173.db2.gz XLVRLDBYEBXLCD-PWSUYJOCSA-N 0 3 369.437 2.320 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)N[C@H]2CCC[C@@H]2CCO)C1 ZINC000251479171 549646292 /nfs/dbraw/zinc/64/62/92/549646292.db2.gz DANQTAWJADLPLA-OTWHNJEPSA-N 0 3 360.502 2.096 10 0 FEAEHN NC1(C(=O)NCCc2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000261581197 549732172 /nfs/dbraw/zinc/73/21/72/549732172.db2.gz FXMLEZCBTXIQLL-UHFFFAOYSA-N 0 3 354.450 2.432 10 0 FEAEHN NC1(C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CCOCC1 ZINC000261847655 549762773 /nfs/dbraw/zinc/76/27/73/549762773.db2.gz MELMUJIRKXWULO-UHFFFAOYSA-N 0 3 368.359 2.015 10 0 FEAEHN CCN(CCOc1ccc(Br)cc1)C(=O)C1(N)CCOCC1 ZINC000261949936 549772620 /nfs/dbraw/zinc/77/26/20/549772620.db2.gz YUPDUXSBQYWKEN-UHFFFAOYSA-N 0 3 371.275 2.184 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(CCc2ccccc2Br)n1 ZINC000263223048 549887020 /nfs/dbraw/zinc/88/70/20/549887020.db2.gz MFJRNTQCIKBGDP-CYBMUJFWSA-N 0 3 351.248 2.193 10 0 FEAEHN Cc1cc(C)n(-c2ccc(-c3nc([C@H]4CNCCN4C)no3)cc2F)n1 ZINC000263266381 549890640 /nfs/dbraw/zinc/89/06/40/549890640.db2.gz RPEDDZGZCGCFBK-MRXNPFEDSA-N 0 3 356.405 2.254 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(COc2ccc(F)cc2Br)n1 ZINC000263310245 549894176 /nfs/dbraw/zinc/89/41/76/549894176.db2.gz YLRLTKPFHXACAW-LLVKDONJSA-N 0 3 371.210 2.126 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1nn(C)cc1Br ZINC000293469398 552826868 /nfs/dbraw/zinc/82/68/68/552826868.db2.gz MAKFSAYGCSUGNC-LBPRGKRZSA-N 0 3 365.275 2.433 10 0 FEAEHN C[C@@H]1CCc2ccccc2N1C(=O)CN1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000374071889 557817993 /nfs/dbraw/zinc/81/79/93/557817993.db2.gz KSQLLLIHPJOXEV-VUBSUSDNSA-N 0 3 358.482 2.216 10 0 FEAEHN Cc1ccc(-c2n[nH]cc2CN2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)o1 ZINC000375257309 557999784 /nfs/dbraw/zinc/99/97/84/557999784.db2.gz FGHOTTAGJXJDHY-MAUKXSAKSA-N 0 3 358.442 2.081 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000052592161 670315328 /nfs/dbraw/zinc/31/53/28/670315328.db2.gz UKWAQEGFFMYXBC-CABCVRRESA-N 0 3 354.495 2.169 10 0 FEAEHN CCN1CC[C@@H](NC(=O)c2cccc(F)c2I)C1 ZINC000591105233 672650546 /nfs/dbraw/zinc/65/05/46/672650546.db2.gz XKDSYKHMDTXQOE-SECBINFHSA-N 0 3 362.186 2.254 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000193040671 672710846 /nfs/dbraw/zinc/71/08/46/672710846.db2.gz DFIGEDLIFKSNAY-GFCCVEGCSA-N 0 3 360.380 2.131 10 0 FEAEHN Cc1cc(Br)cc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)c1O ZINC000245650283 672822604 /nfs/dbraw/zinc/82/26/04/672822604.db2.gz HARIYFSDOMFFLX-STQMWFEESA-N 0 3 357.292 2.350 10 0 FEAEHN O=C(CCn1nc(-c2ccccc2)ccc1=O)NCCN1CCCCCC1 ZINC000003006064 539358831 /nfs/dbraw/zinc/35/88/31/539358831.db2.gz XELNVLPWJKPIRF-UHFFFAOYSA-N 0 3 368.481 2.293 10 0 FEAEHN O=C(CCn1nc(C(F)(F)F)cc1C1CC1)N1CCN2CCC[C@@H]2C1 ZINC000028233229 539828555 /nfs/dbraw/zinc/82/85/55/539828555.db2.gz IPBOJQONJZSNJI-CYBMUJFWSA-N 0 3 356.392 2.476 10 0 FEAEHN CN(C)C[C@@H](NC(=O)C1CCN(c2cnccn2)CC1)c1ccccc1 ZINC000028881428 539839337 /nfs/dbraw/zinc/83/93/37/539839337.db2.gz ASJQEUJFWSLTMY-GOSISDBHSA-N 0 3 353.470 2.112 10 0 FEAEHN CC(C)[C@@H](NC(=O)NC[C@@H](O)CN1CCCCC1)c1nc2ccccc2[nH]1 ZINC000043104987 540089126 /nfs/dbraw/zinc/08/91/26/540089126.db2.gz DAJWBWIBHORLNQ-CRAIPNDOSA-N 0 3 373.501 2.406 10 0 FEAEHN O=C(NCCCCOc1ccc(F)cc1)NC[C@H](O)CN1CCCCC1 ZINC000049175304 540383833 /nfs/dbraw/zinc/38/38/33/540383833.db2.gz HKEKDKACIPYWDK-KRWDZBQOSA-N 0 3 367.465 2.131 10 0 FEAEHN O=C(NCCOc1ccc2ccccc2c1)NC[C@@H](O)CN1CCCCC1 ZINC000049175034 540384030 /nfs/dbraw/zinc/38/40/30/540384030.db2.gz HPUJHGDTDXIKRN-LJQANCHMSA-N 0 3 371.481 2.365 10 0 FEAEHN CN(C)C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 ZINC000052555127 540473314 /nfs/dbraw/zinc/47/33/14/540473314.db2.gz QRYKWGYFCDQANN-PMACEKPBSA-N 0 3 365.477 2.454 10 0 FEAEHN C[C@H](NC(=O)N1CC[C@H](N2CCCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000066177415 541286755 /nfs/dbraw/zinc/28/67/55/541286755.db2.gz TUHYDFIVJDLATO-HOCLYGCPSA-N 0 3 365.499 2.031 10 0 FEAEHN COCC(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3cccc(F)c3)C2)O1 ZINC000096215136 209135939 /nfs/dbraw/zinc/13/59/39/209135939.db2.gz DFEBKYAXMRGCRX-PKOBYXMFSA-N 0 3 350.434 2.102 10 0 FEAEHN O=C(NC1CC1)c1ccc(N2CC[C@@H](NCc3ccc(O)cc3)C2)nc1 ZINC000065256995 208655743 /nfs/dbraw/zinc/65/57/43/208655743.db2.gz XCDAQGBGMFAUJY-QGZVFWFLSA-N 0 3 352.438 2.048 10 0 FEAEHN C[C@@H]1CN(CC2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)C[C@H](C)O1 ZINC000091478819 542809952 /nfs/dbraw/zinc/80/99/52/542809952.db2.gz WLFODYQWTCHSTI-GASCZTMLSA-N 0 3 370.501 2.327 10 0 FEAEHN Cc1ccc(N2CCCN(Cc3ccc(-n4cncn4)c(C)c3)CC2)nn1 ZINC000093151257 542914036 /nfs/dbraw/zinc/91/40/36/542914036.db2.gz ORVIIDUIZZICGV-UHFFFAOYSA-N 0 3 363.469 2.386 10 0 FEAEHN CCO[C@H]1C[C@H](N(C)Cc2cnc(N3CCN(C)CC3)nc2)C12CCCC2 ZINC000093611073 542934825 /nfs/dbraw/zinc/93/48/25/542934825.db2.gz JHISWRISRCVXNL-OALUTQOASA-N 0 3 373.545 2.398 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cnn2cc(Br)cnc12 ZINC000094056818 542949702 /nfs/dbraw/zinc/94/97/02/542949702.db2.gz RUTIAGZJUGOBNZ-GFCCVEGCSA-N 0 3 368.279 2.198 10 0 FEAEHN CCn1cnnc1[C@@H]1CCCN(CCOc2cccc(C(=O)OC)c2)C1 ZINC000103475421 543110205 /nfs/dbraw/zinc/11/02/05/543110205.db2.gz BKOSDZVTFBPFOX-MRXNPFEDSA-N 0 3 358.442 2.343 10 0 FEAEHN Cc1ccccc1OC[C@@H](O)CN(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106075203 543189485 /nfs/dbraw/zinc/18/94/85/543189485.db2.gz SSOLVJMDQILDKH-MSOLQXFVSA-N 0 3 356.470 2.126 10 0 FEAEHN COCCN1CCN(CCCCCn2nnc(-c3ccccc3)n2)C[C@H]1C ZINC000106106926 543199075 /nfs/dbraw/zinc/19/90/75/543199075.db2.gz FDQMCAYTJQHEEU-GOSISDBHSA-N 0 3 372.517 2.163 10 0 FEAEHN Cc1noc(C)c1CCC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000109292641 543320423 /nfs/dbraw/zinc/32/04/23/543320423.db2.gz GWZIUPWGODTVHK-UHFFFAOYSA-N 0 3 359.474 2.044 10 0 FEAEHN CCc1noc([C@H](C)N2CCN(C(=O)[C@@H](C)N3[C@H](C)CC[C@@H]3C)CC2)n1 ZINC000112117361 543431177 /nfs/dbraw/zinc/43/11/77/543431177.db2.gz YSIQQOGMRWYZQN-XUWVNRHRSA-N 0 3 363.506 2.099 10 0 FEAEHN C[C@@H](NC(=O)[C@H](C)NC[C@@H]1CN(C)CCO1)c1ccc2ccccc2c1 ZINC000112548710 543451501 /nfs/dbraw/zinc/45/15/01/543451501.db2.gz SFYYEKMDJDMOKC-GQIGUUNPSA-N 0 3 355.482 2.326 10 0 FEAEHN Cc1ccc(CNC(=O)[C@H](C)N[C@@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000112551336 543452092 /nfs/dbraw/zinc/45/20/92/543452092.db2.gz NWXMZMUSMPFATB-DOTOQJQBSA-N 0 3 355.486 2.319 10 0 FEAEHN O=C(CCN1CCCC[C@H]1c1cn[nH]c1)N1CCN(c2ccccn2)CC1 ZINC000114201645 543507936 /nfs/dbraw/zinc/50/79/36/543507936.db2.gz DNZWETPLXSCCOR-SFHVURJKSA-N 0 3 368.485 2.071 10 0 FEAEHN Cc1cccc(OCC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)c1 ZINC000114413932 543514823 /nfs/dbraw/zinc/51/48/23/543514823.db2.gz ARBJQZLNPFQKMF-UHFFFAOYSA-N 0 3 368.481 2.179 10 0 FEAEHN CC(C)[C@H](C)NC(=O)C1CCN(C[C@@H](O)COCc2ccccc2)CC1 ZINC000114562703 543524139 /nfs/dbraw/zinc/52/41/39/543524139.db2.gz CCFXJSFFCNPCMG-FXAWDEMLSA-N 0 3 362.514 2.437 10 0 FEAEHN CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC[C@H](Cn2cncn2)C1 ZINC000114803451 543537397 /nfs/dbraw/zinc/53/73/97/543537397.db2.gz CRYRSNCJQMOMDV-HKUYNNGSSA-N 0 3 355.486 2.427 10 0 FEAEHN C[C@@H](NC(=O)N1CCN2CCC[C@H]2C1)c1ccc(N2CCCC2=O)cc1 ZINC000247489842 549342361 /nfs/dbraw/zinc/34/23/61/549342361.db2.gz LMDFRIRIJLKAIJ-QAPCUYQASA-N 0 3 356.470 2.364 10 0 FEAEHN Cc1cnn(CCNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000127283123 543982948 /nfs/dbraw/zinc/98/29/48/543982948.db2.gz QXGJFYDWYRMMAE-GOSISDBHSA-N 0 3 355.486 2.498 10 0 FEAEHN CCC[C@H](C(=O)N1CCN(C(=O)CCCc2ccccc2)CC1)N(C)C ZINC000128253118 544041296 /nfs/dbraw/zinc/04/12/96/544041296.db2.gz GBMKQLZNBOYLHR-LJQANCHMSA-N 0 3 359.514 2.410 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(F)c(F)cc1F ZINC000129299788 544104379 /nfs/dbraw/zinc/10/43/79/544104379.db2.gz BYPNHGOTXSLFSU-LLVKDONJSA-N 0 3 357.376 2.279 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)C1 ZINC000132251773 544224387 /nfs/dbraw/zinc/22/43/87/544224387.db2.gz WOFZOWDRIZQQCR-NJAFHUGGSA-N 0 3 353.507 2.085 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000132324416 544227146 /nfs/dbraw/zinc/22/71/46/544227146.db2.gz ONYTUYZOAWZJRH-INIZCTEOSA-N 0 3 369.469 2.062 10 0 FEAEHN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000151130093 544509075 /nfs/dbraw/zinc/50/90/75/544509075.db2.gz VODCFJXOAZZTEX-SUMWQHHRSA-N 0 3 367.440 2.272 10 0 FEAEHN C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)c2ccccc21 ZINC000151605936 544561469 /nfs/dbraw/zinc/56/14/69/544561469.db2.gz UCVZSJPYADFHEW-WMLDXEAASA-N 0 3 369.469 2.138 10 0 FEAEHN CSCCCCNC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000153650359 544803697 /nfs/dbraw/zinc/80/36/97/544803697.db2.gz ZTNSSVHWNRZTFV-UHFFFAOYSA-N 0 3 353.536 2.132 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000180011830 327668069 /nfs/dbraw/zinc/66/80/69/327668069.db2.gz OGDWOTQCTMMPAP-CABCVRRESA-N 0 3 361.269 2.206 10 0 FEAEHN C[C@@H](CC(=O)Nc1ccc(Br)cc1)NC[C@H]1CN(C)CCO1 ZINC000180491594 327688166 /nfs/dbraw/zinc/68/81/66/327688166.db2.gz KZHQQMOAPXHXNQ-WFASDCNBSA-N 0 3 370.291 2.086 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(N3CCOC3=O)cc1)CC2 ZINC000180616695 327693973 /nfs/dbraw/zinc/69/39/73/327693973.db2.gz JQKYKSUOUMTRIY-HIFRSBDPSA-N 0 3 355.442 2.463 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccccc1OCC(=O)OC)CC2 ZINC000183753568 327833970 /nfs/dbraw/zinc/83/39/70/327833970.db2.gz AGFAWWHFYQFANQ-KBPBESRZSA-N 0 3 358.442 2.058 10 0 FEAEHN CCC[C@@H]1C[C@H](C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)CCO1 ZINC000183788846 327835956 /nfs/dbraw/zinc/83/59/56/327835956.db2.gz ZTXPENFSFAJIJP-RTBURBONSA-N 0 3 374.529 2.387 10 0 FEAEHN C[C@@H]1CN(Cc2cnn(Cc3ccc(F)cc3)c2)C[C@@H]1N1CCOCC1 ZINC000187434139 328025356 /nfs/dbraw/zinc/02/53/56/328025356.db2.gz AFQLKLOEALUIJQ-UZLBHIALSA-N 0 3 358.461 2.223 10 0 FEAEHN O=c1c2ccccc2ncn1CCN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188079832 328064625 /nfs/dbraw/zinc/06/46/25/328064625.db2.gz RMLHOWWDPPNGGK-RDJZCZTQSA-N 0 3 355.463 2.166 10 0 FEAEHN COc1nc(C)c(Br)cc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000188086302 328064977 /nfs/dbraw/zinc/06/49/77/328064977.db2.gz SISYBFCJZIGMTR-NSHDSACASA-N 0 3 354.248 2.081 10 0 FEAEHN CCOCCN1CCN(CCC(=O)N2CCc3ccccc3C2)C[C@@H]1CC ZINC000189010148 328123227 /nfs/dbraw/zinc/12/32/27/328123227.db2.gz MEJUKZBPAPVIKV-NRFANRHFSA-N 0 3 373.541 2.394 10 0 FEAEHN Cc1cc(S(=O)(=O)[N-][C@H]2CCC[NH2+][C@@H]2C)sc1Br ZINC000189321337 328140840 /nfs/dbraw/zinc/14/08/40/328140840.db2.gz BXQLSSYCKGGARW-BDAKNGLRSA-N 0 3 353.307 2.238 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000190076765 328186171 /nfs/dbraw/zinc/18/61/71/328186171.db2.gz CLPQWJOSPVTXJW-SWLSCSKDSA-N 0 3 368.437 2.339 10 0 FEAEHN CC[C@H]1CN(Cc2ccn(-c3ccc(F)cc3F)n2)CCN1C[C@@H](C)O ZINC000190218960 328195122 /nfs/dbraw/zinc/19/51/22/328195122.db2.gz JVMHHBNFQIFEHA-PBHICJAKSA-N 0 3 364.440 2.428 10 0 FEAEHN Cc1nc2c(cnn2C)c(N2CC[C@H](CN(C)Cc3cccnc3)C2)n1 ZINC000190447071 328208289 /nfs/dbraw/zinc/20/82/89/328208289.db2.gz CJJWXDNMSMEXMX-MRXNPFEDSA-N 0 3 351.458 2.025 10 0 FEAEHN CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)NC2CCCC2)CC1 ZINC000190506124 328212327 /nfs/dbraw/zinc/21/23/27/328212327.db2.gz PFLJWGYSAYYZBX-QGZVFWFLSA-N 0 3 367.534 2.173 10 0 FEAEHN Cc1nnsc1C(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000190565859 328216510 /nfs/dbraw/zinc/21/65/10/328216510.db2.gz VAWHMGIRWMXSCX-KRWDZBQOSA-N 0 3 374.510 2.364 10 0 FEAEHN CCOC(=O)C1CCC(O)(CN2CCC(c3nc(C)no3)CC2)CC1 ZINC000190830845 328234808 /nfs/dbraw/zinc/23/48/08/328234808.db2.gz BGUSDNWHLLZGMC-UHFFFAOYSA-N 0 3 351.447 2.042 10 0 FEAEHN CNc1cc(N2CCC[C@@H]2CNCc2nccn2-c2ccccc2)ncn1 ZINC000190971617 328242910 /nfs/dbraw/zinc/24/29/10/328242910.db2.gz PXYLEBUVDRKDSK-QGZVFWFLSA-N 0 3 363.469 2.463 10 0 FEAEHN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000192365132 328315735 /nfs/dbraw/zinc/31/57/35/328315735.db2.gz QQKFIJPLZIJHBS-LSDHHAIUSA-N 0 3 365.478 2.114 10 0 FEAEHN Cc1c(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)nnn1Cc1ccc(F)cc1 ZINC000192572232 328326564 /nfs/dbraw/zinc/32/65/64/328326564.db2.gz QHMOUXJGKUTFIL-GUYCJALGSA-N 0 3 357.433 2.083 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cnn(C2CCCC2)c1C ZINC000193421136 328374268 /nfs/dbraw/zinc/37/42/68/328374268.db2.gz LNGVVSSYURKUII-INIZCTEOSA-N 0 3 361.490 2.188 10 0 FEAEHN CN(C)C[C@@H](NC(=O)NCCC(=O)N1CCCCCC1)c1ccccc1 ZINC000195024899 328452053 /nfs/dbraw/zinc/45/20/53/328452053.db2.gz LZNBZWWPZKWOEY-GOSISDBHSA-N 0 3 360.502 2.381 10 0 FEAEHN COC(=O)CSCCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000078563196 325051966 /nfs/dbraw/zinc/05/19/66/325051966.db2.gz MNXMNTAZQCKQNF-QGZVFWFLSA-N 0 3 364.511 2.454 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000079495489 325093090 /nfs/dbraw/zinc/09/30/90/325093090.db2.gz BJVDQHXWSAGNEJ-LJQANCHMSA-N 0 3 374.529 2.059 10 0 FEAEHN Cc1nc(SCC(=O)NC[C@H]2CCCCN2Cc2ccccc2)n[nH]1 ZINC000081020804 325154496 /nfs/dbraw/zinc/15/44/96/325154496.db2.gz XFZLULBTUMLUIL-MRXNPFEDSA-N 0 3 359.499 2.376 10 0 FEAEHN Cc1nnc(SCC(=O)NC[C@H]2CCCCN2Cc2ccccc2)[nH]1 ZINC000081020804 325154499 /nfs/dbraw/zinc/15/44/99/325154499.db2.gz XFZLULBTUMLUIL-MRXNPFEDSA-N 0 3 359.499 2.376 10 0 FEAEHN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000083711009 325222462 /nfs/dbraw/zinc/22/24/62/325222462.db2.gz DAFGTNFKXWDNSQ-ROUUACIJSA-N 0 3 368.485 2.385 10 0 FEAEHN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000088756473 325299862 /nfs/dbraw/zinc/29/98/62/325299862.db2.gz LMJRCMKCDWPDOA-KRWDZBQOSA-N 0 3 370.501 2.449 10 0 FEAEHN COc1cc(CN[C@@H]2CCCN(c3cccnn3)C2)cc(OC)c1OC ZINC000109071032 325658439 /nfs/dbraw/zinc/65/84/39/325658439.db2.gz XDKRVMUSKJKOKQ-OAHLLOKOSA-N 0 3 358.442 2.261 10 0 FEAEHN C[C@@H](NC(=O)[C@H](C)NC[C@@H]1CN(C)CCO1)c1cccc2ccccc21 ZINC000112548817 325789168 /nfs/dbraw/zinc/78/91/68/325789168.db2.gz WGSKXSXMIOGMOV-SOLBZPMBSA-N 0 3 355.482 2.326 10 0 FEAEHN CCOc1ccccc1NC(=O)[C@H](C)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000112550554 325789852 /nfs/dbraw/zinc/78/98/52/325789852.db2.gz MTFQUQXNXHKAED-UONOGXRCSA-N 0 3 357.458 2.171 10 0 FEAEHN Cc1noc(C)c1C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000115157404 325942892 /nfs/dbraw/zinc/94/28/92/325942892.db2.gz BJZIBTDQLCPWMW-SFHVURJKSA-N 0 3 357.454 2.467 10 0 FEAEHN CC[C@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CCN1CCOC ZINC000117309440 326056992 /nfs/dbraw/zinc/05/69/92/326056992.db2.gz RHKGDVIPCQSFIM-FQEVSTJZSA-N 0 3 359.514 2.465 10 0 FEAEHN Cc1cccc(NC(=O)N2CCO[C@H](CN(C)C)C2)c1C(=O)N1CCCC1 ZINC000118801909 326103582 /nfs/dbraw/zinc/10/35/82/326103582.db2.gz JYJVTICQXKZDCZ-MRXNPFEDSA-N 0 3 374.485 2.025 10 0 FEAEHN CC(C)C[C@@H](C)OCCC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000119824072 326202073 /nfs/dbraw/zinc/20/20/73/326202073.db2.gz WKMVAVNRMNTBBK-XLIONFOSSA-N 0 3 362.514 2.363 10 0 FEAEHN O=C(CCSc1ccccn1)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000119863806 326206397 /nfs/dbraw/zinc/20/63/97/326206397.db2.gz KQGNVSADYNPHGF-SFHVURJKSA-N 0 3 371.506 2.099 10 0 FEAEHN CC[C@H]1CN(Cc2c[nH]nc2-c2ccc(OC)cc2)CCN1C[C@@H](C)O ZINC000120763910 326286414 /nfs/dbraw/zinc/28/64/14/326286414.db2.gz BUOYTQNGSQCHJK-QAPCUYQASA-N 0 3 358.486 2.362 10 0 FEAEHN Cc1nc(Cl)ccc1C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000129833548 326547232 /nfs/dbraw/zinc/54/72/32/326547232.db2.gz ZLHODPVPFFJTEE-UHFFFAOYSA-N 0 3 361.877 2.477 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)/C=C/c3cccc(O)c3)CC2)nc1 ZINC000153487740 326734143 /nfs/dbraw/zinc/73/41/43/326734143.db2.gz MSZCUDGIRAHRIU-VQHVLOKHSA-N 0 3 366.465 2.211 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](NC(=O)NC[C@H](c1ccccc1)N(C)C)CC2 ZINC000155100834 326777610 /nfs/dbraw/zinc/77/76/10/326777610.db2.gz OPUXTFBUZPLZCH-IAGOWNOFSA-N 0 3 370.501 2.318 10 0 FEAEHN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCO[C@H](CN(C)C)C1 ZINC000155361925 326786115 /nfs/dbraw/zinc/78/61/15/326786115.db2.gz CPFPRKXNQZPRDX-IUODEOHRSA-N 0 3 370.291 2.039 10 0 FEAEHN CCC[C@@H](C(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1)N(C)C ZINC000162106576 327017005 /nfs/dbraw/zinc/01/70/05/327017005.db2.gz GJDPTBYNWIVABS-KRWDZBQOSA-N 0 3 350.507 2.350 10 0 FEAEHN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170827053 327100931 /nfs/dbraw/zinc/10/09/31/327100931.db2.gz LUZJHLJGEFKFJF-GOSISDBHSA-N 0 3 355.486 2.394 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000170832404 327101336 /nfs/dbraw/zinc/10/13/36/327101336.db2.gz XQXSXBWGFYFCMC-INIZCTEOSA-N 0 3 366.456 2.275 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)c3ccccc3)c2)C1 ZINC000170843842 327102151 /nfs/dbraw/zinc/10/21/51/327102151.db2.gz BBAGBDRBMVXYIX-SFHVURJKSA-N 0 3 365.433 2.019 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc4ccccc43)C2)C1 ZINC000170858303 327102935 /nfs/dbraw/zinc/10/29/35/327102935.db2.gz MZVUOYWRBKUTAV-IRXDYDNUSA-N 0 3 351.450 2.355 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)C1 ZINC000170866737 327103950 /nfs/dbraw/zinc/10/39/50/327103950.db2.gz OHPLICYWIKOHCH-LJQANCHMSA-N 0 3 357.498 2.020 10 0 FEAEHN CN1C(=O)CC[C@H](C(=O)N2CC[C@H](N3CCCC3)C2)[C@@H]1c1ccccc1 ZINC000171803266 327162458 /nfs/dbraw/zinc/16/24/58/327162458.db2.gz CBDOUHDXGDSDQI-BJLQDIEVSA-N 0 3 355.482 2.293 10 0 FEAEHN COc1ccccc1N1CC[C@H](CNC(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000171906106 327169407 /nfs/dbraw/zinc/16/94/07/327169407.db2.gz SHVUSJIFKXCMNZ-IAGOWNOFSA-N 0 3 358.486 2.011 10 0 FEAEHN CN(C)c1ccc(N2CCC(NC(=O)N3CCN4CCC[C@H]4C3)CC2)cc1 ZINC000173509283 327262390 /nfs/dbraw/zinc/26/23/90/327262390.db2.gz KDKPHBKKNHTEEK-FQEVSTJZSA-N 0 3 371.529 2.211 10 0 FEAEHN C[C@H]1CC[C@@H](CCC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)O1 ZINC000173577353 327268142 /nfs/dbraw/zinc/26/81/42/327268142.db2.gz OWDTWJVIDCFQQX-WMZOPIPTSA-N 0 3 360.502 2.140 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000173584426 327268615 /nfs/dbraw/zinc/26/86/15/327268615.db2.gz GPUWQVHSQKMIHL-GXTWGEPZSA-N 0 3 362.861 2.178 10 0 FEAEHN Cc1ccc([C@H](CN[C@H](C)C(=O)NCC(C)C)N2CCOCC2)s1 ZINC000173646212 327273252 /nfs/dbraw/zinc/27/32/52/327273252.db2.gz WNRBCIZVBVZZKL-CVEARBPZSA-N 0 3 353.532 2.180 10 0 FEAEHN C[C@H](OC[C@H](O)CN1CC[C@H](N2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000173927665 327295165 /nfs/dbraw/zinc/29/51/65/327295165.db2.gz GFKWUGVNSQLCBV-ZYSHUDEJSA-N 0 3 368.905 2.185 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@H]1CCCN(c3ccc(C)cc3)C1=O)CC2 ZINC000174085604 327305369 /nfs/dbraw/zinc/30/53/69/327305369.db2.gz CPDWEFYGJPBURF-RDJZCZTQSA-N 0 3 353.470 2.249 10 0 FEAEHN Cc1ccccc1NC(=O)CCN[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000174659745 327342012 /nfs/dbraw/zinc/34/20/12/327342012.db2.gz UKBBRYMZCOJZFK-CQSZACIVSA-N 0 3 361.467 2.322 10 0 FEAEHN Cn1nccc1C1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000175063908 327371828 /nfs/dbraw/zinc/37/18/28/327371828.db2.gz XTBYYDIHVBJOIP-UHFFFAOYSA-N 0 3 360.502 2.161 10 0 FEAEHN COC[C@@H](C)CNC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000175099206 327373961 /nfs/dbraw/zinc/37/39/61/327373961.db2.gz XZMGPGWTVLXNMP-QFBILLFUSA-N 0 3 363.502 2.014 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000175337415 327387841 /nfs/dbraw/zinc/38/78/41/327387841.db2.gz SRJNLRJSBBVJJW-JKSUJKDBSA-N 0 3 363.502 2.297 10 0 FEAEHN C[C@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)Oc1cccc(Cl)c1 ZINC000176144675 327437222 /nfs/dbraw/zinc/43/72/22/327437222.db2.gz CPQYUZOKIHRJGC-CZUORRHYSA-N 0 3 355.866 2.079 10 0 FEAEHN CC(C)C1(CNC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)CC1 ZINC000176354327 327451077 /nfs/dbraw/zinc/45/10/77/327451077.db2.gz KNRMLRSDQHABDI-UHFFFAOYSA-N 0 3 359.518 2.411 10 0 FEAEHN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000176585662 327465037 /nfs/dbraw/zinc/46/50/37/327465037.db2.gz DTBIHRGATREVHE-HNNXBMFYSA-N 0 3 362.503 2.256 10 0 FEAEHN CCO[C@@H]1C[C@@H](N[C@H](Cc2ccccc2)C(=O)N(C)C)C12CCOCC2 ZINC000249016335 328752023 /nfs/dbraw/zinc/75/20/23/328752023.db2.gz PQDRWAFYUXOUSI-GUDVDZBRSA-N 0 3 360.498 2.250 10 0 FEAEHN N[C@@H](C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1)C1CCOCC1 ZINC000261667086 328809996 /nfs/dbraw/zinc/80/99/96/328809996.db2.gz FZXSGLDHNWJHDS-LJQANCHMSA-N 0 3 353.422 2.376 10 0 FEAEHN COc1cccc(Oc2ccc(CNC(=O)C3(N)CCOCC3)cn2)c1 ZINC000261748540 328816567 /nfs/dbraw/zinc/81/65/67/328816567.db2.gz FCCTZZVJIXNHKQ-UHFFFAOYSA-N 0 3 357.410 2.007 10 0 FEAEHN N[C@@H](C(=O)N1CCc2c(Br)cccc2C1)C1CCOCC1 ZINC000262115108 328843405 /nfs/dbraw/zinc/84/34/05/328843405.db2.gz VYUDKJUNSWVIER-OAHLLOKOSA-N 0 3 353.260 2.088 10 0 FEAEHN Cc1c(-c2nc([C@@H]3CNCCN3C)no2)cnn1-c1cccc(Cl)c1 ZINC000263303469 328931440 /nfs/dbraw/zinc/93/14/40/328931440.db2.gz XKOWFXHTOQVYHX-HNNXBMFYSA-N 0 3 358.833 2.460 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cc(N2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000248816156 517429123 /nfs/dbraw/zinc/42/91/23/517429123.db2.gz CXXAKKASQVOLLJ-IXDOHACOSA-N 0 3 362.518 2.401 10 0 FEAEHN COCC[N@H+](C)Cc1ccc(-c2nc(-c3nccnc3C)cc(=O)[n-]2)cc1 ZINC000020118563 523622866 /nfs/dbraw/zinc/62/28/66/523622866.db2.gz PFMRMJNUTVYBCV-UHFFFAOYSA-N 0 3 365.437 2.281 10 0 FEAEHN COCC[N@@H+](C)Cc1ccc(-c2nc(-c3nccnc3C)cc(=O)[n-]2)cc1 ZINC000020118563 523622875 /nfs/dbraw/zinc/62/28/75/523622875.db2.gz PFMRMJNUTVYBCV-UHFFFAOYSA-N 0 3 365.437 2.281 10 0 FEAEHN Cc1c(CNC[C@@H]2COc3ccccc3O2)c2ccccc2n1CC(N)=O ZINC000055307436 525725056 /nfs/dbraw/zinc/72/50/56/525725056.db2.gz HUFOYSMWFPWWBX-OAHLLOKOSA-N 0 3 365.433 2.365 10 0 FEAEHN C[C@@H](NC(=O)CN1CCO[C@H](CN(C)C)C1)c1ccc2ccccc2c1 ZINC000155299097 545508019 /nfs/dbraw/zinc/50/80/19/545508019.db2.gz NUTPFICWESKTRY-OXQOHEQNSA-N 0 3 355.482 2.279 10 0 FEAEHN CN(C)Cc1cccc(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000156643071 545641904 /nfs/dbraw/zinc/64/19/04/545641904.db2.gz HRGCXFVUHUTUQP-SFHVURJKSA-N 0 3 353.470 2.279 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000156824006 545665608 /nfs/dbraw/zinc/66/56/08/545665608.db2.gz YDOHEZGNKATDJB-SJLPKXTDSA-N 0 3 362.518 2.427 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@@H]1CCO[C@H](C2CC2)C1 ZINC000156823692 545665811 /nfs/dbraw/zinc/66/58/11/545665811.db2.gz YDOHEZGNKATDJB-AEFFLSMTSA-N 0 3 362.518 2.427 10 0 FEAEHN CC(C)CC(=O)N1CCC(NC(=O)N[C@H](CC(C)C)CN(C)C)CC1 ZINC000157908786 545798844 /nfs/dbraw/zinc/79/88/44/545798844.db2.gz DLZLEWAAYUUUGC-QGZVFWFLSA-N 0 3 354.539 2.299 10 0 FEAEHN Cc1nc(COc2ccccc2C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)no1 ZINC000159029831 545915500 /nfs/dbraw/zinc/91/55/00/545915500.db2.gz HGNLBXSDLROYSL-XJKSGUPXSA-N 0 3 358.442 2.416 10 0 FEAEHN O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc2c(cccc2F)[nH]1 ZINC000159284145 545939747 /nfs/dbraw/zinc/93/97/47/545939747.db2.gz ALQQRRULQSWARI-INIZCTEOSA-N 0 3 367.424 2.456 10 0 FEAEHN O=C(CCOc1ccc(F)cc1)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000159347562 545945633 /nfs/dbraw/zinc/94/56/33/545945633.db2.gz XOWMQCBSGCJMSC-IBGZPJMESA-N 0 3 372.440 2.130 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NCCOc2ccc3ccccc3c2)CCO1 ZINC000172117974 546236988 /nfs/dbraw/zinc/23/69/88/546236988.db2.gz AGNBVLDNTNVCLL-IBGZPJMESA-N 0 3 357.454 2.191 10 0 FEAEHN C[C@@H]1CCCN(c2cc(N3CCN(CC4CCOCC4)CC3)ncn2)C1 ZINC000172411193 546251750 /nfs/dbraw/zinc/25/17/50/546251750.db2.gz YCMKELPJUFZGJQ-QGZVFWFLSA-N 0 3 359.518 2.262 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NCCC2CCN(CC(F)(F)F)CC2)C1 ZINC000175668903 546330606 /nfs/dbraw/zinc/33/06/06/546330606.db2.gz YSDQBKRERIFMHV-OAHLLOKOSA-N 0 3 364.456 2.434 10 0 FEAEHN C[C@@H](NC(=O)NCc1ccccc1CN1CCC(O)CC1)[C@@H]1CCCO1 ZINC000175857456 546362588 /nfs/dbraw/zinc/36/25/88/546362588.db2.gz ITEDAWGXDXFOSN-BEFAXECRSA-N 0 3 361.486 2.010 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc2ccn(CC(=O)NC)c2c1 ZINC000176373728 546437187 /nfs/dbraw/zinc/43/71/87/546437187.db2.gz OBPFQMQMUMVEAF-QGZVFWFLSA-N 0 3 371.485 2.335 10 0 FEAEHN Cc1ncc(-c2ccc(NC(=O)C(=O)N[C@@H]3CN(C(C)C)C[C@@H]3C)cc2)o1 ZINC000176754820 546484511 /nfs/dbraw/zinc/48/45/11/546484511.db2.gz PFQFOYIALQLINW-SUMWQHHRSA-N 0 3 370.453 2.433 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000176892898 546501787 /nfs/dbraw/zinc/50/17/87/546501787.db2.gz BSXQTRVQSGNPOZ-QGZVFWFLSA-N 0 3 374.485 2.162 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O ZINC000176985650 546518123 /nfs/dbraw/zinc/51/81/23/546518123.db2.gz XQXOETHJHVEJRO-CRAIPNDOSA-N 0 3 371.481 2.250 10 0 FEAEHN CCCS(=O)(=O)Nc1ccc(C(=O)N(C)C[C@H]2CCCN2CC)cc1 ZINC000176981193 546518371 /nfs/dbraw/zinc/51/83/71/546518371.db2.gz XOKPHKZUCNBDFW-QGZVFWFLSA-N 0 3 367.515 2.395 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(Cl)ccc1N(C)C ZINC000177071211 546539426 /nfs/dbraw/zinc/53/94/26/546539426.db2.gz OYUUUSPIIVKARK-AWEZNQCLSA-N 0 3 366.893 2.287 10 0 FEAEHN C[C@@H]1CN(C[C@H](O)COc2ccc3ccccc3c2)C[C@@H]1N1CCOCC1 ZINC000177263900 546581883 /nfs/dbraw/zinc/58/18/83/546581883.db2.gz YQYBWSJMOOLLJB-AGHHOFFYSA-N 0 3 370.493 2.232 10 0 FEAEHN C[C@H]1CN(Cc2cccc(C(=O)N3CCCCC3)c2)C[C@@H]1N1CCOCC1 ZINC000177269485 546583136 /nfs/dbraw/zinc/58/31/36/546583136.db2.gz OVAYAVKGCZRYBV-RXVVDRJESA-N 0 3 371.525 2.465 10 0 FEAEHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)N[C@H]1CCCn2ncnc21 ZINC000177356251 546600123 /nfs/dbraw/zinc/60/01/23/546600123.db2.gz NNDKYKAWKFBTJA-IRXDYDNUSA-N 0 3 354.458 2.249 10 0 FEAEHN O=C(Nc1ccc(F)cc1C(F)(F)F)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177686032 546667780 /nfs/dbraw/zinc/66/77/80/546667780.db2.gz POPJNEIFFFEWAN-NSHDSACASA-N 0 3 359.323 2.090 10 0 FEAEHN CSc1ccc(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)cc1Cl ZINC000177696981 546668684 /nfs/dbraw/zinc/66/86/84/546668684.db2.gz CLGLTQTWHAGSPM-LBPRGKRZSA-N 0 3 353.875 2.307 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000177704985 546671558 /nfs/dbraw/zinc/67/15/58/546671558.db2.gz NKTQOKDAKXOVFE-GOSISDBHSA-N 0 3 374.529 2.083 10 0 FEAEHN Cc1coc(-c2cc(NC(=O)C(=O)N3CCN4CCC[C@@H]4C3)ccc2C)n1 ZINC000177746291 546679408 /nfs/dbraw/zinc/67/94/08/546679408.db2.gz VPVMXIVTMHJWCH-MRXNPFEDSA-N 0 3 368.437 2.204 10 0 FEAEHN COc1cc(NC(=O)CN2CCC[C@@H]2Cn2ccnc2C)cc(OC)c1 ZINC000178749386 546842546 /nfs/dbraw/zinc/84/25/46/546842546.db2.gz PKYQLQQAWYFTSI-MRXNPFEDSA-N 0 3 358.442 2.312 10 0 FEAEHN COc1ccc(NC(=O)NC(=O)CN2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000178753114 546844036 /nfs/dbraw/zinc/84/40/36/546844036.db2.gz OUUIILWJEGAIMP-MRXNPFEDSA-N 0 3 371.441 2.013 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)CC2 ZINC000180627280 547144622 /nfs/dbraw/zinc/14/46/22/547144622.db2.gz XAIYKWKUDUFCFD-YPMHNXCESA-N 0 3 366.462 2.049 10 0 FEAEHN CCc1oc(C(=O)OC)cc1S(=O)(=O)NC[C@H]1CCCN1CC(C)C ZINC000180865110 547196991 /nfs/dbraw/zinc/19/69/91/547196991.db2.gz RCHWAAZAPUWJMS-CYBMUJFWSA-N 0 3 372.487 2.027 10 0 FEAEHN CCc1nn(C)c(OC)c1CNC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000181319502 547292645 /nfs/dbraw/zinc/29/26/45/547292645.db2.gz GLPMKBBKOQKGCY-HNNXBMFYSA-N 0 3 373.501 2.311 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1ccc(N2CCOC2=O)cc1 ZINC000181907458 547402768 /nfs/dbraw/zinc/40/27/68/547402768.db2.gz ARTMAKGQMCZVJA-KRWDZBQOSA-N 0 3 360.458 2.269 10 0 FEAEHN Cc1ccc(Cl)c(OC[C@H](O)CN2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000182452323 547495417 /nfs/dbraw/zinc/49/54/17/547495417.db2.gz UTLOJKKMBDPXRU-LZLYRXPVSA-N 0 3 368.905 2.041 10 0 FEAEHN C[C@@H](NCC(=O)Nc1ccccc1C(=O)NCc1ccco1)[C@@H]1CCCO1 ZINC000183121279 547605617 /nfs/dbraw/zinc/60/56/17/547605617.db2.gz QYYWLUBCLIQPCI-KDOFPFPSSA-N 0 3 371.437 2.305 10 0 FEAEHN Cc1ccc(CN2CCCN(C(=O)CN[C@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC000183146879 547610734 /nfs/dbraw/zinc/61/07/34/547610734.db2.gz MFWGPXXBBUWAQP-QUCCMNQESA-N 0 3 359.514 2.186 10 0 FEAEHN CCC(CC)[C@@H]1C[C@@H](NC(=O)NC[C@H](O)CN2CCCCC2)CCO1 ZINC000183726041 547708493 /nfs/dbraw/zinc/70/84/93/547708493.db2.gz PPQISMXKSMRPAG-BZSNNMDCSA-N 0 3 355.523 2.116 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NCCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000184679043 547865036 /nfs/dbraw/zinc/86/50/36/547865036.db2.gz KJKJKKUHNCMWCA-CQSZACIVSA-N 0 3 374.407 2.349 10 0 FEAEHN COc1cccc(OC)c1S(=O)(=O)NC[C@H]1CCCN1CC(C)C ZINC000185411824 547980682 /nfs/dbraw/zinc/98/06/82/547980682.db2.gz BOWQSHCSDXFIPL-CQSZACIVSA-N 0 3 356.488 2.103 10 0 FEAEHN Cc1nc(CN2CCCN(CCCc3ccc4c(c3)CCO4)CC2)no1 ZINC000186417039 548131820 /nfs/dbraw/zinc/13/18/20/548131820.db2.gz MWZBRXPJEZPLQN-UHFFFAOYSA-N 0 3 356.470 2.453 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cn3ccnc3s2)C1 ZINC000189245838 548298934 /nfs/dbraw/zinc/29/89/34/548298934.db2.gz ZKVLGBIRSRQJCO-HNNXBMFYSA-N 0 3 355.467 2.385 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@@H]1CCC[C@H]1CCO ZINC000189941173 548314187 /nfs/dbraw/zinc/31/41/87/548314187.db2.gz COCISDWKQKRVHG-DOTOQJQBSA-N 0 3 350.507 2.021 10 0 FEAEHN COc1cc(CN2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)ccc1C ZINC000193901691 548403643 /nfs/dbraw/zinc/40/36/43/548403643.db2.gz ROCUPEMDQLSJJF-HXUWFJFHSA-N 0 3 361.530 2.230 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(CCN3CCOCC3)cc2)C1 ZINC000194354527 548469424 /nfs/dbraw/zinc/46/94/24/548469424.db2.gz UJDSJWRHCSMZRP-LJQANCHMSA-N 0 3 360.502 2.167 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1nnn(Cc2ccc(F)cc2)c1C ZINC000194552080 548497787 /nfs/dbraw/zinc/49/77/87/548497787.db2.gz JEFXYEBJRMUADF-QGZVFWFLSA-N 0 3 359.449 2.330 10 0 FEAEHN CCCCOc1ccc(C(=O)NCC(=O)N[C@H]2CCCN(CC)C2)cc1 ZINC000194640156 548510397 /nfs/dbraw/zinc/51/03/97/548510397.db2.gz JCRYKCWXEZRHIO-KRWDZBQOSA-N 0 3 361.486 2.196 10 0 FEAEHN Cc1c(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)nnn1Cc1ccc(F)cc1 ZINC000194677560 548514426 /nfs/dbraw/zinc/51/44/26/548514426.db2.gz VVYGRYBOOKDWPQ-SUMWQHHRSA-N 0 3 359.449 2.232 10 0 FEAEHN CCCCOC[C@H](O)CN1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000195174789 548589896 /nfs/dbraw/zinc/58/98/96/548589896.db2.gz VXDRCFUXWAYHNS-QGZVFWFLSA-N 0 3 352.475 2.268 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN([C@H](C(N)=O)c2ccccc2)C1 ZINC000195251757 548603515 /nfs/dbraw/zinc/60/35/15/548603515.db2.gz XONNSVMMQXJCAZ-YJBOKZPZSA-N 0 3 358.511 2.432 10 0 FEAEHN Cc1cc(NC(=O)CN2CC[C@H](CN(C)Cc3scnc3C)C2)on1 ZINC000195258505 548605059 /nfs/dbraw/zinc/60/50/59/548605059.db2.gz UOMXMMGPHRKRQJ-CQSZACIVSA-N 0 3 363.487 2.140 10 0 FEAEHN Cc1cc(NC(=O)[C@@H](C)N2CC[C@H](CN(C)Cc3cccnc3)C2)on1 ZINC000195285378 548612022 /nfs/dbraw/zinc/61/20/22/548612022.db2.gz UMUYKJAAOKGMHQ-NVXWUHKLSA-N 0 3 357.458 2.159 10 0 FEAEHN Cc1ccccc1CNC(=O)CN1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195300855 548615920 /nfs/dbraw/zinc/61/59/20/548615920.db2.gz FJNFRHZSHGMOKC-FQEVSTJZSA-N 0 3 366.509 2.460 10 0 FEAEHN O=C(CN1CCC(c2ccn[nH]2)CC1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000195505292 548652335 /nfs/dbraw/zinc/65/23/35/548652335.db2.gz GNVXNBHJZPZYFE-UHFFFAOYSA-N 0 3 367.453 2.120 10 0 FEAEHN O=C(CN1CCC(c2ccn[nH]2)CC1)NCCOc1ccc(Cl)cc1 ZINC000195505851 548652492 /nfs/dbraw/zinc/65/24/92/548652492.db2.gz NRFFKQZSCGAGTN-UHFFFAOYSA-N 0 3 362.861 2.438 10 0 FEAEHN CCC[C@H](N)C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000236821102 548782728 /nfs/dbraw/zinc/78/27/28/548782728.db2.gz GVRXBYUORULVCC-ZDUSSCGKSA-N 0 3 358.269 2.405 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)CCN1c2ccccc2O[C@@H](C)C1=O ZINC000245427872 548916716 /nfs/dbraw/zinc/91/67/16/548916716.db2.gz IFCNUTFFMVWBPF-HOTGVXAUSA-N 0 3 359.470 2.133 10 0 FEAEHN C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CCN1C ZINC000245607098 548956969 /nfs/dbraw/zinc/95/69/69/548956969.db2.gz AKGNYZVMORGIRQ-WKCGWZECSA-N 0 3 361.461 2.286 10 0 FEAEHN O=C([C@@H]1COc2ccc(Br)cc21)N1CCN2CCC[C@H]2C1 ZINC000245622188 548959426 /nfs/dbraw/zinc/95/94/26/548959426.db2.gz FLGMDTZKATZBLY-GXTWGEPZSA-N 0 3 351.244 2.232 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000245672309 548971475 /nfs/dbraw/zinc/97/14/75/548971475.db2.gz SIFHZVJMJXCNGZ-RTBURBONSA-N 0 3 372.513 2.161 10 0 FEAEHN CCOCCN1CCN(Cc2ccc(O[C@@H](C)C(=O)OC)cc2)C[C@H]1C ZINC000245698672 548978021 /nfs/dbraw/zinc/97/80/21/548978021.db2.gz CRJNWOAFZBXKKU-SJORKVTESA-N 0 3 364.486 2.170 10 0 FEAEHN C[C@@H]1CN(Cc2ccc(Oc3cnccn3)cc2)C[C@H]1N1CCOCC1 ZINC000245738283 548986007 /nfs/dbraw/zinc/98/60/07/548986007.db2.gz LGMIYLPKHXTCHG-VQIMIIECSA-N 0 3 354.454 2.421 10 0 FEAEHN CC[C@@H]1CN(Cc2cc(O)ccc2Br)CCN1C[C@H](C)O ZINC000245787018 548994483 /nfs/dbraw/zinc/99/44/83/548994483.db2.gz VJYFKRBIJOVSBL-GXTWGEPZSA-N 0 3 357.292 2.432 10 0 FEAEHN COc1ccc(Br)c(CN2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000245786824 548994997 /nfs/dbraw/zinc/99/49/97/548994997.db2.gz VJENLTQXCAERAH-OLZOCXBDSA-N 0 3 357.292 2.345 10 0 FEAEHN O=C(CN1CCN2CCC[C@H]2C1)NCc1ccc(F)cc1C(F)(F)F ZINC000245889718 549011805 /nfs/dbraw/zinc/01/18/05/549011805.db2.gz BGFHBOXQSORXSA-AWEZNQCLSA-N 0 3 359.367 2.241 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1[C@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000245933454 549024299 /nfs/dbraw/zinc/02/42/99/549024299.db2.gz KBCNFCYBJWAECQ-CRAIPNDOSA-N 0 3 369.469 2.070 10 0 FEAEHN C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCO[C@@H](CN(C)C)C1 ZINC000245949039 549027144 /nfs/dbraw/zinc/02/71/44/549027144.db2.gz YCSAMDCMVIZXSA-PMPSAXMXSA-N 0 3 351.516 2.063 10 0 FEAEHN CCn1cnnc1[C@@H]1CCCN(C[C@@H](O)COCc2cccs2)C1 ZINC000246207888 549077871 /nfs/dbraw/zinc/07/78/71/549077871.db2.gz NJLUEHPJPNSHLA-HUUCEWRRSA-N 0 3 350.488 2.117 10 0 FEAEHN C[C@@H](NC(=O)CN1CCO[C@@H](CN(C)C)C1)c1ccc2c(c1)CCCC2 ZINC000246228744 549084823 /nfs/dbraw/zinc/08/48/23/549084823.db2.gz CBNBKYXHTXUHDG-UZLBHIALSA-N 0 3 359.514 2.005 10 0 FEAEHN CC(C)C(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000246305851 549101450 /nfs/dbraw/zinc/10/14/50/549101450.db2.gz DLWUEFGXBLVNEJ-WMLDXEAASA-N 0 3 374.485 2.065 10 0 FEAEHN CC(C)COC[C@@H](O)CN(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000246389219 549121705 /nfs/dbraw/zinc/12/17/05/549121705.db2.gz PDJDZNLISPWXLF-DLBZAZTESA-N 0 3 356.532 2.087 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000246404462 549125545 /nfs/dbraw/zinc/12/55/45/549125545.db2.gz LPAQKAFIGIYJLV-CRAIPNDOSA-N 0 3 374.485 2.009 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000246537607 549156321 /nfs/dbraw/zinc/15/63/21/549156321.db2.gz HOBMWQPOQPQMFX-YOEHRIQHSA-N 0 3 362.449 2.057 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000246810844 549218348 /nfs/dbraw/zinc/21/83/48/549218348.db2.gz RXRRDVZYVPGQDK-ZFWWWQNUSA-N 0 3 369.421 2.422 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000246899555 549238628 /nfs/dbraw/zinc/23/86/28/549238628.db2.gz FOVPUJAZOROWIZ-RHSMWYFYSA-N 0 3 370.453 2.454 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)N[C@H]1CCOc2ccccc21 ZINC000246923857 549243753 /nfs/dbraw/zinc/24/37/53/549243753.db2.gz GROIALURYIZNKQ-WMZOPIPTSA-N 0 3 354.454 2.296 10 0 FEAEHN COc1ccccc1C(=O)N[C@H](C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)C(C)C ZINC000247083890 549280570 /nfs/dbraw/zinc/28/05/70/549280570.db2.gz XVLRETRMQUVYSC-DOXZYTNZSA-N 0 3 373.497 2.191 10 0 FEAEHN CCCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)C1 ZINC000247290497 549311773 /nfs/dbraw/zinc/31/17/73/549311773.db2.gz KTUPFIKHPFKSLE-BRWVUGGUSA-N 0 3 352.523 2.053 10 0 FEAEHN CC[C@@H]1CN(Cc2cccc(C(=O)NCC(C)C)c2)CCN1C[C@H](C)O ZINC000247578848 549360780 /nfs/dbraw/zinc/36/07/80/549360780.db2.gz IETYCCGVSVCOOR-FXAWDEMLSA-N 0 3 361.530 2.349 10 0 FEAEHN Cc1ccc(OC[C@H](O)CN(C)[C@H]2CCCN(c3cccnn3)C2)c(C)c1 ZINC000247609121 549365719 /nfs/dbraw/zinc/36/57/19/549365719.db2.gz MCHBGKZZUKZFQV-RBUKOAKNSA-N 0 3 370.497 2.434 10 0 FEAEHN CN1C(=O)C[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)[C@H]1c1ccc(F)cc1 ZINC000248031936 549401358 /nfs/dbraw/zinc/40/13/58/549401358.db2.gz KJNVAVNBLDQAPZ-SFNKJDCFSA-N 0 3 359.445 2.040 10 0 FEAEHN CC(C)c1nnc2n1C[C@@H](NC(=O)N[C@H](C)CN1CCC[C@@H](C)C1)CC2 ZINC000248420198 549433843 /nfs/dbraw/zinc/43/38/43/549433843.db2.gz WJFYPWLALQZFGV-OAGGEKHMSA-N 0 3 362.522 2.136 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)NC[C@H](C)N2CCC[C@H](C)C2)C12CCOCC2 ZINC000248716730 549489787 /nfs/dbraw/zinc/48/97/87/549489787.db2.gz NUGNFAJYZPJFNH-XLAORIBOSA-N 0 3 367.534 2.380 10 0 FEAEHN CCCCNC(=O)[C@@H](C)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000248960566 549532229 /nfs/dbraw/zinc/53/22/29/549532229.db2.gz BZSMVUIWYWAZQB-IAGOWNOFSA-N 0 3 369.550 2.419 10 0 FEAEHN C[C@@H](CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)N1CCCCC1=O ZINC000249036144 549541717 /nfs/dbraw/zinc/54/17/17/549541717.db2.gz XMIJPFBUUYFWKQ-ZIFCJYIRSA-N 0 3 357.498 2.414 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000249115234 549554934 /nfs/dbraw/zinc/55/49/34/549554934.db2.gz BDYUHTQYUHXPCM-DOMZBBRYSA-N 0 3 351.397 2.432 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000249119309 549555764 /nfs/dbraw/zinc/55/57/64/549555764.db2.gz BPCIKPAUNLENTF-WFASDCNBSA-N 0 3 369.387 2.425 10 0 FEAEHN CCCCOc1ccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2CC)cn1 ZINC000249223777 549570651 /nfs/dbraw/zinc/57/06/51/549570651.db2.gz URRDUPUUIXGTPO-SJORKVTESA-N 0 3 374.485 2.284 10 0 FEAEHN CN(C)[C@@H](CNC(=O)CN1CCCC[C@H]1c1cn[nH]c1)c1ccccc1 ZINC000249286684 549577002 /nfs/dbraw/zinc/57/70/02/549577002.db2.gz IORVKENOZNOWKK-OALUTQOASA-N 0 3 355.486 2.356 10 0 FEAEHN Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000249816776 549631888 /nfs/dbraw/zinc/63/18/88/549631888.db2.gz CDAIBWPFJAUCDM-WBVHZDCISA-N 0 3 361.511 2.362 10 0 FEAEHN COc1ccc([C@@H](CNC(=O)N2CCN3CCC[C@H]3C2)N2CCCC2)cc1 ZINC000252442350 549665749 /nfs/dbraw/zinc/66/57/49/549665749.db2.gz VAPFZODQEBEKDY-AZUAARDMSA-N 0 3 372.513 2.322 10 0 FEAEHN Cc1nn(C)cc1CN1CCC2(CC1)C[C@](O)(c1ccccn1)CCO2 ZINC000257174926 549711541 /nfs/dbraw/zinc/71/15/41/549711541.db2.gz MBSSXPOWFMNPAO-FQEVSTJZSA-N 0 3 356.470 2.156 10 0 FEAEHN N[C@@H](C(=O)NC1CCN(c2nc3ccccc3s2)CC1)C1CCOCC1 ZINC000261724637 549748013 /nfs/dbraw/zinc/74/80/13/549748013.db2.gz JMDUWARJSABWEW-QGZVFWFLSA-N 0 3 374.510 2.135 10 0 FEAEHN NC1(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)CCOCC1 ZINC000261900528 549768021 /nfs/dbraw/zinc/76/80/21/549768021.db2.gz RNZDURAXACFDEI-UHFFFAOYSA-N 0 3 352.862 2.012 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2ccc(F)cc2NC(=O)c2ccoc2)n1 ZINC000263188863 549884381 /nfs/dbraw/zinc/88/43/81/549884381.db2.gz HPKOFXLRPAUBKK-OAHLLOKOSA-N 0 3 371.372 2.297 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(COc2ccc(Br)cc2F)n1 ZINC000263213666 549886421 /nfs/dbraw/zinc/88/64/21/549886421.db2.gz KOSXWWFEWKWPGN-LLVKDONJSA-N 0 3 371.210 2.126 10 0 FEAEHN CCCc1ccc2nccc(N3CCO[C@H](C[N@H+](C)CC(=O)[O-])C3)c2c1 ZINC000263411808 549900167 /nfs/dbraw/zinc/90/01/67/549900167.db2.gz MPHXUIVROVFZNS-MRXNPFEDSA-N 0 3 357.454 2.409 10 0 FEAEHN CCCc1ccc2nccc(N3CCO[C@H](C[N@@H+](C)CC(=O)[O-])C3)c2c1 ZINC000263411808 549900169 /nfs/dbraw/zinc/90/01/69/549900169.db2.gz MPHXUIVROVFZNS-MRXNPFEDSA-N 0 3 357.454 2.409 10 0 FEAEHN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000375466352 558032295 /nfs/dbraw/zinc/03/22/95/558032295.db2.gz UGAQSDKXLVWGDM-BFMVXSJESA-N 0 3 352.519 2.275 10 0 FEAEHN CC[C@H]1CN(Cn2c(=S)ncn2-c2ccccc2)CCN1CCOC ZINC000117325100 670914683 /nfs/dbraw/zinc/91/46/83/670914683.db2.gz MIMOFBHTKXJBFA-INIZCTEOSA-N 0 3 361.515 2.403 10 0 FEAEHN CCOCCN1CCN(Cn2nc(C(C)C)n(C)c2=S)C[C@@H]1CC ZINC000152622173 672184759 /nfs/dbraw/zinc/18/47/59/672184759.db2.gz LSDSXMRVOUQIJB-HNNXBMFYSA-N 0 3 355.552 2.465 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000188893093 672601109 /nfs/dbraw/zinc/60/11/09/672601109.db2.gz UKWAQEGFFMYXBC-HUUCEWRRSA-N 0 3 354.495 2.169 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000194322737 672755896 /nfs/dbraw/zinc/75/58/96/672755896.db2.gz MCNJAARKUNIGSM-GFCCVEGCSA-N 0 3 361.414 2.289 10 0 FEAEHN Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)c1ccnn1CCN(C)C ZINC000900597567 690536783 /nfs/dbraw/zinc/53/67/83/690536783.db2.gz JNZVWAVHSNKEHE-CYBMUJFWSA-N 0 3 364.881 2.117 10 0 FEAEHN C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000027604091 539812228 /nfs/dbraw/zinc/81/22/28/539812228.db2.gz VGEKMUJWEPOAAP-ZIAGYGMSSA-N 0 3 361.467 2.413 10 0 FEAEHN Cc1ccc2ncc(C(=O)N[C@H](CN(C)C)c3ccccc3)c(=O)n2c1 ZINC000028488747 539833271 /nfs/dbraw/zinc/83/32/71/539833271.db2.gz ZUQFMYYDNHZDDE-QGZVFWFLSA-N 0 3 350.422 2.036 10 0 FEAEHN CN(CCCOc1ccccc1)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000030531772 539884081 /nfs/dbraw/zinc/88/40/81/539884081.db2.gz PZIBPYYCNHDWNS-INIZCTEOSA-N 0 3 368.433 2.044 10 0 FEAEHN CC(C)[C@H](NC(=O)NC[C@@H](O)CN1CCCCC1)c1nc2ccccc2[nH]1 ZINC000043104984 540089518 /nfs/dbraw/zinc/08/95/18/540089518.db2.gz DAJWBWIBHORLNQ-QAPCUYQASA-N 0 3 373.501 2.406 10 0 FEAEHN CN(C)C[C@H](NC(=O)NCc1cccnc1-n1ccnc1)c1ccccc1 ZINC000048216049 540351857 /nfs/dbraw/zinc/35/18/57/540351857.db2.gz MELBUAOBYRMREX-SFHVURJKSA-N 0 3 364.453 2.369 10 0 FEAEHN Cc1ccccc1CN1CCC(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000051117281 540422713 /nfs/dbraw/zinc/42/27/13/540422713.db2.gz AZQPOEOLBGSBGG-ROUUACIJSA-N 0 3 359.514 2.185 10 0 FEAEHN CN(C)C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 ZINC000052555125 540473444 /nfs/dbraw/zinc/47/34/44/540473444.db2.gz QRYKWGYFCDQANN-WOJBJXKFSA-N 0 3 365.477 2.454 10 0 FEAEHN CCCC[C@H](NC(N)=O)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000067360660 541449414 /nfs/dbraw/zinc/44/94/14/541449414.db2.gz FSBPNKRZHFQCNI-MSOLQXFVSA-N 0 3 360.502 2.384 10 0 FEAEHN CN(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 ZINC000006725236 207156840 /nfs/dbraw/zinc/15/68/40/207156840.db2.gz PZZSKKKPOYHBAF-SJORKVTESA-N 0 3 357.479 2.336 10 0 FEAEHN CN(C)CCNC(=O)CCCc1nc2cccnc2n1Cc1ccccc1 ZINC000033072517 208070130 /nfs/dbraw/zinc/07/01/30/208070130.db2.gz ZRTWEZIDXVYTAL-UHFFFAOYSA-N 0 3 365.481 2.480 10 0 FEAEHN Cc1ccc2[nH]c(CN3CCC4(CC3)CN(C)CCN4C)cc(=O)c2c1 ZINC000092020696 209011192 /nfs/dbraw/zinc/01/11/92/209011192.db2.gz CAKPGMUWPQEAPE-UHFFFAOYSA-N 0 3 354.498 2.461 10 0 FEAEHN Cc1nccn1-c1cncc(N2CC[C@@H](OCCN3CCCCC3)C2)n1 ZINC000092923546 542896319 /nfs/dbraw/zinc/89/63/19/542896319.db2.gz FVOMJDGNBADYAZ-QGZVFWFLSA-N 0 3 356.474 2.052 10 0 FEAEHN CCO[C@@H]1C[C@H](N(C)Cc2cnc(N3CCN(C)CC3)nc2)C12CCCC2 ZINC000093611072 542935222 /nfs/dbraw/zinc/93/52/22/542935222.db2.gz JHISWRISRCVXNL-RBUKOAKNSA-N 0 3 373.545 2.398 10 0 FEAEHN CC[C@H]1CN(CCC(=O)Nc2ccc(Cl)cc2)CCN1C[C@@H](C)O ZINC000106102196 543197597 /nfs/dbraw/zinc/19/75/97/543197597.db2.gz APQZQGFRRNQLQE-PBHICJAKSA-N 0 3 353.894 2.446 10 0 FEAEHN CCOCCN1CCN(CCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1C ZINC000106112045 543200693 /nfs/dbraw/zinc/20/06/93/543200693.db2.gz IVYRMPIMSMDIOS-KRWDZBQOSA-N 0 3 373.497 2.105 10 0 FEAEHN CCc1nccn1[C@H]1CCCN(CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000106214425 543218814 /nfs/dbraw/zinc/21/88/14/543218814.db2.gz NLUZVUDGWASMDQ-KRWDZBQOSA-N 0 3 369.469 2.210 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)N[C@@H](C)c1ccccc1OC)CC2 ZINC000107304356 543265406 /nfs/dbraw/zinc/26/54/06/543265406.db2.gz BLYWYYYMGOCGPA-SOUVJXGZSA-N 0 3 371.485 2.019 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)C1 ZINC000108994224 543310020 /nfs/dbraw/zinc/31/00/20/543310020.db2.gz UZSMOEUVXKAYAX-CYBMUJFWSA-N 0 3 359.451 2.357 10 0 FEAEHN CCc1cc(N2CCN(C[C@@H](C)O)[C@H](CC)C2)nc(-c2ccncc2)n1 ZINC000109320149 543320917 /nfs/dbraw/zinc/32/09/17/543320917.db2.gz PCOGRVWNZFCIRV-CRAIPNDOSA-N 0 3 355.486 2.382 10 0 FEAEHN CCc1cc(N2CCN(C[C@@H](C)O)[C@H](CC)C2)nc(-c2ccccn2)n1 ZINC000109320127 543321133 /nfs/dbraw/zinc/32/11/33/543321133.db2.gz NEHIVYLKYFEUSI-NVXWUHKLSA-N 0 3 355.486 2.382 10 0 FEAEHN CN(CCNC(=O)N1CCO[C@@H](c2nccs2)C1)Cc1ccccc1 ZINC000111837966 543418766 /nfs/dbraw/zinc/41/87/66/543418766.db2.gz HJGGJGOIOOBLEW-MRXNPFEDSA-N 0 3 360.483 2.358 10 0 FEAEHN CCOc1ccc(NC(=O)[C@H](C)N[C@H]2CCc3nc(CC)nn3C2)cc1 ZINC000112550549 543451251 /nfs/dbraw/zinc/45/12/51/543451251.db2.gz UEDLYRVVQNZPEP-ZFWWWQNUSA-N 0 3 357.458 2.171 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)CSCC(=O)Nc1ccc(F)cc1 ZINC000113444601 543487700 /nfs/dbraw/zinc/48/77/00/543487700.db2.gz ITBBTOWLGMCZFH-CZUORRHYSA-N 0 3 365.474 2.193 10 0 FEAEHN COc1cc(C)sc1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000114413681 543514464 /nfs/dbraw/zinc/51/44/64/543514464.db2.gz NHXFFLSEEWWAOG-UHFFFAOYSA-N 0 3 374.510 2.484 10 0 FEAEHN Cc1noc(C)c1[C@@H](C)C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000114415474 543514638 /nfs/dbraw/zinc/51/46/38/543514638.db2.gz SCVFTEJRRNZNFC-CQSZACIVSA-N 0 3 371.485 2.200 10 0 FEAEHN Cc1c(NC(=O)N[C@H]2CN3CCC2CC3)cccc1C(=O)N1CCCC1 ZINC000095524014 209075672 /nfs/dbraw/zinc/07/56/72/209075672.db2.gz KEQBMGXSWRKKHI-SFHVURJKSA-N 0 3 356.470 2.447 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000121660045 543697909 /nfs/dbraw/zinc/69/79/09/543697909.db2.gz IPZVBKVBZVJZAN-HNNXBMFYSA-N 0 3 365.522 2.040 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000247489710 549342735 /nfs/dbraw/zinc/34/27/35/549342735.db2.gz WUEZYZIKIBFAFZ-DLBZAZTESA-N 0 3 360.502 2.400 10 0 FEAEHN C[C@@H](NC(=O)NC[C@H](C)N(C)Cc1ccccc1)c1nnc2n1CCCC2 ZINC000123607760 543772102 /nfs/dbraw/zinc/77/21/02/543772102.db2.gz NFCIJNRLAPPWQS-JKSUJKDBSA-N 0 3 370.501 2.495 10 0 FEAEHN C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2Br)C[C@@H]1N(C)C ZINC000124010907 543796028 /nfs/dbraw/zinc/79/60/28/543796028.db2.gz RUTCUUWJSFSIGU-CABZTGNLSA-N 0 3 365.268 2.159 10 0 FEAEHN CCC[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)N(C)C)CCN1CCOC ZINC000128394156 544050056 /nfs/dbraw/zinc/05/00/56/544050056.db2.gz MRHDISGAWUQNCR-VQTJNVASSA-N 0 3 361.530 2.119 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cnc2ccccc2c1 ZINC000129498289 544115844 /nfs/dbraw/zinc/11/58/44/544115844.db2.gz QYHGWRDPTMSFJR-QGZVFWFLSA-N 0 3 354.454 2.410 10 0 FEAEHN CCC[C@H](C(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1)N(C)C ZINC000130988292 544173160 /nfs/dbraw/zinc/17/31/60/544173160.db2.gz DUEXVVGADBOZCQ-HZPDHXFCSA-N 0 3 353.532 2.276 10 0 FEAEHN CCC[C@H](C(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1)N(C)C ZINC000130987869 544173263 /nfs/dbraw/zinc/17/32/63/544173263.db2.gz DUEXVVGADBOZCQ-CVEARBPZSA-N 0 3 353.532 2.276 10 0 FEAEHN C[C@H]1CC[C@H](C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)O1 ZINC000132864905 544246173 /nfs/dbraw/zinc/24/61/73/544246173.db2.gz FAULDJBVGSHITN-AZUAARDMSA-N 0 3 359.514 2.268 10 0 FEAEHN CC(C)[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)C(N)=O ZINC000134905160 544326367 /nfs/dbraw/zinc/32/63/67/544326367.db2.gz ZEQRJUGBCQFWSL-MSOLQXFVSA-N 0 3 360.502 2.269 10 0 FEAEHN C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CCN1C ZINC000135658080 544358236 /nfs/dbraw/zinc/35/82/36/544358236.db2.gz AKGNYZVMORGIRQ-VVHMCBODSA-N 0 3 361.461 2.286 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccccc2Br)[C@@H](C)C1 ZINC000150775385 544469400 /nfs/dbraw/zinc/46/94/00/544469400.db2.gz NOLKYJYGCSKDSL-FZMZJTMJSA-N 0 3 368.275 2.233 10 0 FEAEHN O=C(CCN1CC[C@H](Oc2cccnc2)C1)NC(=O)Nc1ccccc1 ZINC000152275878 544632629 /nfs/dbraw/zinc/63/26/29/544632629.db2.gz JPMOBFJAUGJVKC-KRWDZBQOSA-N 0 3 354.410 2.273 10 0 FEAEHN CC[C@@H]1CN(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)CCN1CCOC ZINC000152486213 544659982 /nfs/dbraw/zinc/65/99/82/544659982.db2.gz KURXYSJYNRRGSR-MRXNPFEDSA-N 0 3 372.469 2.268 10 0 FEAEHN CCC[C@@H](C(=O)N[C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1)N(C)C ZINC000153561838 544791383 /nfs/dbraw/zinc/79/13/83/544791383.db2.gz ZBAFSCKPMNLMEU-LPHOPBHVSA-N 0 3 363.502 2.125 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000153884256 544836073 /nfs/dbraw/zinc/83/60/73/544836073.db2.gz ZRRSGHJPYUFEDW-INIZCTEOSA-N 0 3 356.426 2.223 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2ccc(F)cc2OCC(F)F)CCO1 ZINC000181379397 327727503 /nfs/dbraw/zinc/72/75/03/327727503.db2.gz VDRBWHRCGKDTCO-GFCCVEGCSA-N 0 3 361.364 2.264 10 0 FEAEHN CC[C@H](C)[C@H](N)C(=O)NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000182574258 327780801 /nfs/dbraw/zinc/78/08/01/327780801.db2.gz XZJRWTBGRJVDHX-LNSITVRQSA-N 0 3 362.392 2.226 10 0 FEAEHN O[C@@H](COCc1ccc(Cl)cc1)CN1CCC(Cn2cncn2)CC1 ZINC000186236149 327953397 /nfs/dbraw/zinc/95/33/97/327953397.db2.gz RYNYCRHHNXQJQU-GOSISDBHSA-N 0 3 364.877 2.221 10 0 FEAEHN CCN(CCO)CCNC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000187371750 328020469 /nfs/dbraw/zinc/02/04/69/328020469.db2.gz KPFFPCOAVNSEQK-KRWDZBQOSA-N 0 3 361.486 2.436 10 0 FEAEHN COc1cc(C)c(NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C)cc1F ZINC000187610258 328035868 /nfs/dbraw/zinc/03/58/68/328035868.db2.gz MAOVIDSQHHIOSJ-ZDUSSCGKSA-N 0 3 353.438 2.174 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000190343891 328201498 /nfs/dbraw/zinc/20/14/98/328201498.db2.gz OIPKZINIZNIZFW-HUUCEWRRSA-N 0 3 356.426 2.160 10 0 FEAEHN CC(C)c1c(NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)cnn1-c1ccccc1 ZINC000190390004 328204925 /nfs/dbraw/zinc/20/49/25/328204925.db2.gz KVDHIVRBINIFLW-MRXNPFEDSA-N 0 3 369.469 2.097 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)CCc2cnn(C)c2)C1 ZINC000190561559 328216312 /nfs/dbraw/zinc/21/63/12/328216312.db2.gz MSHPGZKMXAQUKU-MRXNPFEDSA-N 0 3 361.515 2.098 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)NCc2c[nH]nc2C)C1 ZINC000190695413 328225366 /nfs/dbraw/zinc/22/53/66/328225366.db2.gz JLJWIHSSFFMYHX-AWEZNQCLSA-N 0 3 362.503 2.147 10 0 FEAEHN C[C@H](CNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1)Cn1cccn1 ZINC000190699839 328225859 /nfs/dbraw/zinc/22/58/59/328225859.db2.gz YQNQBWMVMKDVAC-MJGOQNOKSA-N 0 3 370.501 2.078 10 0 FEAEHN CCOC(=O)C1CCC(O)(CN2CCN(CC(F)F)[C@@H](CC)C2)CC1 ZINC000191017351 328245820 /nfs/dbraw/zinc/24/58/20/328245820.db2.gz PJUVCWLKDUXULA-CSLYMUCUSA-N 0 3 362.461 2.132 10 0 FEAEHN CCn1cc([C@@H]2CN(C(=O)NCc3cccc(CN(C)C)c3)CCO2)cn1 ZINC000191096844 328249892 /nfs/dbraw/zinc/24/98/92/328249892.db2.gz QWUMYIKJUIFQDU-IBGZPJMESA-N 0 3 371.485 2.248 10 0 FEAEHN CN([C@@H]1CCCN(c2cccnn2)C1)[C@@H]1CCc2ccccc2NC1=O ZINC000191998427 328292958 /nfs/dbraw/zinc/29/29/58/328292958.db2.gz FSDKVGCITNOUPV-SJLPKXTDSA-N 0 3 351.454 2.331 10 0 FEAEHN CCC[C@@H]1CCc2nc(NC(=O)C(=O)N3CC[C@H](N(C)C)C3)sc2C1 ZINC000192877426 328344431 /nfs/dbraw/zinc/34/44/31/328344431.db2.gz IVBBLZSGSLUUCH-OLZOCXBDSA-N 0 3 364.515 2.149 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)CCc2ccccc2)C1 ZINC000192938959 328347606 /nfs/dbraw/zinc/34/76/06/328347606.db2.gz RMQYVRZNEXMDQE-HXUWFJFHSA-N 0 3 373.522 2.408 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1nc(C(C)C)cs1 ZINC000193415097 328373993 /nfs/dbraw/zinc/37/39/93/328373993.db2.gz SZLAQTFKDXAMRG-QWHCGFSZSA-N 0 3 350.488 2.290 10 0 FEAEHN Cc1cc(S(=O)(=O)N2C[C@H](N(C)C)[C@@H](C)C2)ccc1Br ZINC000228130191 328485102 /nfs/dbraw/zinc/48/51/02/328485102.db2.gz WNSBEATYCXUTIA-FZMZJTMJSA-N 0 3 361.305 2.328 10 0 FEAEHN Cc1nnc(-c2cccc(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)c2)o1 ZINC000076254649 324929110 /nfs/dbraw/zinc/92/91/10/324929110.db2.gz DLBQBOKCQXBYDW-MRXNPFEDSA-N 0 3 373.457 2.076 10 0 FEAEHN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000077938869 325026258 /nfs/dbraw/zinc/02/62/58/325026258.db2.gz PYKDIURFYVNVBL-IEBWSBKVSA-N 0 3 373.497 2.278 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H](NC(C)=O)C1)c1ccsc1 ZINC000079251101 325083416 /nfs/dbraw/zinc/08/34/16/325083416.db2.gz VAUADSJLZLLQJK-SJORKVTESA-N 0 3 366.531 2.441 10 0 FEAEHN CCn1ccnc1CS(=O)(=O)C(C)C(=O)N(C)Cc1cccc(F)c1 ZINC000083066735 325213015 /nfs/dbraw/zinc/21/30/15/325213015.db2.gz PPFQUIZHAZUHDM-ZDUSSCGKSA-N 0 3 367.446 2.004 10 0 FEAEHN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000083722041 325223549 /nfs/dbraw/zinc/22/35/49/325223549.db2.gz CHSCKZWWAZKBIH-YOEHRIQHSA-N 0 3 356.474 2.241 10 0 FEAEHN CCC[C@H](C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)N(C)C ZINC000091771079 325393327 /nfs/dbraw/zinc/39/33/27/325393327.db2.gz HSIYZRSHABUDAH-ZMSDIMECSA-N 0 3 351.878 2.458 10 0 FEAEHN CC(=O)N[C@@H]1CCCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000113625934 325857954 /nfs/dbraw/zinc/85/79/54/325857954.db2.gz ATHUCKNJPIVSIN-MAUKXSAKSA-N 0 3 360.502 2.426 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)CCc2ccccc2Br)CCO1 ZINC000116789284 326035741 /nfs/dbraw/zinc/03/57/41/326035741.db2.gz ZOXDPLLVEBAUDD-CQSZACIVSA-N 0 3 355.276 2.171 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)CCO1 ZINC000116795867 326036815 /nfs/dbraw/zinc/03/68/15/326036815.db2.gz MUDFNRXWQNKFFR-HNNXBMFYSA-N 0 3 367.287 2.270 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2ccnc(OCc3ccccc3)c2)CCO1 ZINC000116794863 326036851 /nfs/dbraw/zinc/03/68/51/326036851.db2.gz KXCNSRNMBBAPNO-SFHVURJKSA-N 0 3 355.438 2.063 10 0 FEAEHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccccc2-c2ccccc2)CCO1 ZINC000116901100 326041263 /nfs/dbraw/zinc/04/12/63/326041263.db2.gz XTRHHISUKFGFOZ-QGZVFWFLSA-N 0 3 360.479 2.305 10 0 FEAEHN C[C@H](NC(=O)N1CCO[C@H](CN(C)C)C1)c1ccc(OC(F)F)cc1 ZINC000117032439 326048510 /nfs/dbraw/zinc/04/85/10/326048510.db2.gz DSOAWMWHDQEIHO-SWLSCSKDSA-N 0 3 357.401 2.321 10 0 FEAEHN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@H](CC(C)C)CN(C)C)C2)n1 ZINC000117034360 326048546 /nfs/dbraw/zinc/04/85/46/326048546.db2.gz ZDQZRMVBRUFWHE-QZTJIDSGSA-N 0 3 364.538 2.293 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NCc2cccc(COC(C)(C)C)c2)CCO1 ZINC000117043171 326049257 /nfs/dbraw/zinc/04/92/57/326049257.db2.gz OKCDENSMOSKFPE-SFHVURJKSA-N 0 3 363.502 2.474 10 0 FEAEHN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000118803863 326103838 /nfs/dbraw/zinc/10/38/38/326103838.db2.gz STJVWBLXEXADMC-INIZCTEOSA-N 0 3 362.474 2.384 10 0 FEAEHN CCC[C@@H](C(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1)N(C)C ZINC000119412728 326159329 /nfs/dbraw/zinc/15/93/29/326159329.db2.gz CXJJRRXWUUTGOL-HIFRSBDPSA-N 0 3 362.392 2.292 10 0 FEAEHN O=C(COc1ccccc1Cl)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000119735761 326192669 /nfs/dbraw/zinc/19/26/69/326192669.db2.gz CXILSKZIXNUFHW-KRWDZBQOSA-N 0 3 374.868 2.254 10 0 FEAEHN COc1cc(CN(C)[C@H]2CCCN(c3cccnn3)C2)cc2c1OCCO2 ZINC000120191908 326239064 /nfs/dbraw/zinc/23/90/64/326239064.db2.gz XZNHHMWMFWWUCQ-INIZCTEOSA-N 0 3 370.453 2.357 10 0 FEAEHN CNC(=O)c1ccc(OC)c(NC(=O)N[C@@H](CN(C)C)c2ccccc2)c1 ZINC000120400782 326255668 /nfs/dbraw/zinc/25/56/68/326255668.db2.gz INOGWQZUFJFYGF-KRWDZBQOSA-N 0 3 370.453 2.479 10 0 FEAEHN COCCN1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@H]1C ZINC000120853091 326293399 /nfs/dbraw/zinc/29/33/99/326293399.db2.gz ONWALGVKJUBZBW-OAHLLOKOSA-N 0 3 372.469 2.000 10 0 FEAEHN O=C(NCc1csc(-c2ccco2)n1)NC[C@@H](O)CN1CCCCC1 ZINC000121597361 326351019 /nfs/dbraw/zinc/35/10/19/326351019.db2.gz HYQKLAPLKAURAV-CQSZACIVSA-N 0 3 364.471 2.049 10 0 FEAEHN Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000121895483 326374511 /nfs/dbraw/zinc/37/45/11/326374511.db2.gz JBNTWNQBCJPBFB-RDJZCZTQSA-N 0 3 360.502 2.153 10 0 FEAEHN CC[C@@H](C(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1)N(C)C ZINC000131759668 326581358 /nfs/dbraw/zinc/58/13/58/326581358.db2.gz JTEDWXIKRMATJH-VQTJNVASSA-N 0 3 361.530 2.231 10 0 FEAEHN Cc1c(C(=O)NC[C@H](O)CN2CCCCC2)cnn1-c1cc(C)ccc1C ZINC000153191855 326726608 /nfs/dbraw/zinc/72/66/08/326726608.db2.gz CGLFTSUEBKPMOG-SFHVURJKSA-N 0 3 370.497 2.374 10 0 FEAEHN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000153840543 326744445 /nfs/dbraw/zinc/74/44/45/326744445.db2.gz DDPSLRCFCFDWKS-HZPDHXFCSA-N 0 3 356.474 2.278 10 0 FEAEHN Cc1nc(-c2cccc(NC(=O)CN3CCO[C@@H](CN(C)C)C3)c2)cs1 ZINC000155327951 326784774 /nfs/dbraw/zinc/78/47/74/326784774.db2.gz NVPCFDBIMNQZKO-KRWDZBQOSA-N 0 3 374.510 2.319 10 0 FEAEHN O=C1CCCN1C[C@@H](O)CNC1(c2cccc(Br)c2)CCC1 ZINC000156210454 326821950 /nfs/dbraw/zinc/82/19/50/326821950.db2.gz UXBVZXWBVPMGBI-HNNXBMFYSA-N 0 3 367.287 2.401 10 0 FEAEHN Cc1cc(C(=O)N2CCO[C@@H](CN(C)C)C2)c(C)cc1Br ZINC000157091758 326854362 /nfs/dbraw/zinc/85/43/62/326854362.db2.gz ZWUAPWPQZIUGOI-ZDUSSCGKSA-N 0 3 355.276 2.469 10 0 FEAEHN C[C@H](NC(=O)NCCN(C)Cc1ccccc1)c1nnc2n1CCCC2 ZINC000163995002 327062707 /nfs/dbraw/zinc/06/27/07/327062707.db2.gz BQYPCCHNSFGQPI-HNNXBMFYSA-N 0 3 356.474 2.107 10 0 FEAEHN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N1CC[C@H](N(C)C)C1 ZINC000170827050 327100987 /nfs/dbraw/zinc/10/09/87/327100987.db2.gz LUZJHLJGEFKFJF-SFHVURJKSA-N 0 3 355.486 2.394 10 0 FEAEHN CN(Cc1cc(F)cc2c1OCOC2)C1CCN(CCn2cccn2)CC1 ZINC000170942333 327108833 /nfs/dbraw/zinc/10/88/33/327108833.db2.gz ORGDXIBQVMGVDO-UHFFFAOYSA-N 0 3 374.460 2.485 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)Nc2ccccc2I)C1 ZINC000171068485 327115551 /nfs/dbraw/zinc/11/55/51/327115551.db2.gz YUVPQKKPJKVOOE-JTQLQIEISA-N 0 3 359.211 2.459 10 0 FEAEHN O=C(c1ccc(I)c(F)c1)N1CCN2CCC[C@@H]2C1 ZINC000171471134 327141652 /nfs/dbraw/zinc/14/16/52/327141652.db2.gz TYYCWRLMWHMCKU-LLVKDONJSA-N 0 3 374.197 2.351 10 0 FEAEHN O=C(NCc1cccnc1OCC(F)(F)F)N1CCN2CCC[C@@H]2C1 ZINC000171900496 327168558 /nfs/dbraw/zinc/16/85/58/327168558.db2.gz CRFHKCSIVLAALA-CYBMUJFWSA-N 0 3 358.364 2.012 10 0 FEAEHN Cc1nccn1-c1ccc(CNC(=O)N2CCN3CCC[C@H]3C2)cc1F ZINC000171904624 327169047 /nfs/dbraw/zinc/16/90/47/327169047.db2.gz NRHIIKZMWVXIFI-INIZCTEOSA-N 0 3 357.433 2.309 10 0 FEAEHN COc1cccc(N2CC[C@H](CNC(=O)N3CCN4CCC[C@@H]4C3)C2)c1 ZINC000171906700 327169317 /nfs/dbraw/zinc/16/93/17/327169317.db2.gz AUDJOGBVDAWXBS-SJLPKXTDSA-N 0 3 358.486 2.011 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2ccc(N(C)c3ccccc3)nc2)CCO1 ZINC000172307308 327194646 /nfs/dbraw/zinc/19/46/46/327194646.db2.gz CAMNGTFEPKZXHM-GOSISDBHSA-N 0 3 354.454 2.252 10 0 FEAEHN C[C@@H](NC(=O)NC[C@@H](O)CN1CCCCC1)c1cccc(-n2cccn2)c1 ZINC000173697566 327277826 /nfs/dbraw/zinc/27/78/26/327277826.db2.gz PJAMITHURIBWHT-VQIMIIECSA-N 0 3 371.485 2.079 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000173726887 327279503 /nfs/dbraw/zinc/27/95/03/327279503.db2.gz KTGYPULMWFGMGN-CHWSQXEVSA-N 0 3 368.890 2.235 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC3CCCC3)c(F)c2)C1 ZINC000174006825 327300913 /nfs/dbraw/zinc/30/09/13/327300913.db2.gz FRYOYPPZFWHMBE-AWEZNQCLSA-N 0 3 363.433 2.248 10 0 FEAEHN CC[C@H]1CN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)CCN1C[C@@H](C)O ZINC000174635259 327340252 /nfs/dbraw/zinc/34/02/52/327340252.db2.gz OVPOLQIWRWYGDF-WBVHZDCISA-N 0 3 356.470 2.302 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000175043917 327370511 /nfs/dbraw/zinc/37/05/11/327370511.db2.gz FMSPNBGESVMLNA-QJMRKGMQSA-N 0 3 363.527 2.204 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000175211878 327380314 /nfs/dbraw/zinc/38/03/14/327380314.db2.gz OPGBFBOQOYQIPP-SWLSCSKDSA-N 0 3 372.437 2.133 10 0 FEAEHN CCc1ccc([C@H](CNC(=O)N[C@@H]2CCCn3ncnc32)N(C)C)cc1 ZINC000176351414 327450766 /nfs/dbraw/zinc/45/07/66/327450766.db2.gz RNALDZCEILBQSM-SJORKVTESA-N 0 3 356.474 2.278 10 0 FEAEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)c1ccc(C=O)[nH]1 ZINC000177459337 327524239 /nfs/dbraw/zinc/52/42/39/327524239.db2.gz WJBDSHGDZLGUDB-HXUWFJFHSA-N 0 3 369.465 2.345 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CCO1 ZINC000247573458 328695258 /nfs/dbraw/zinc/69/52/58/328695258.db2.gz XBCSHQLWVSRYPM-PMPSAXMXSA-N 0 3 367.287 2.342 10 0 FEAEHN C[C@H](C(=O)OC(C)(C)C)N(C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249297544 328764182 /nfs/dbraw/zinc/76/41/82/328764182.db2.gz MXGIQRDAAMPRCR-NVXWUHKLSA-N 0 3 363.502 2.068 10 0 FEAEHN COCCc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H](O)CN3)cc2)cc1 ZINC000262556136 328872720 /nfs/dbraw/zinc/87/27/20/328872720.db2.gz UYNVDKQCYZPRBD-LPHOPBHVSA-N 0 3 356.422 2.329 10 0 FEAEHN COc1ccc(Br)c(-c2nc([C@H]3CNCCN3C)no2)c1 ZINC000263313256 328932281 /nfs/dbraw/zinc/93/22/81/328932281.db2.gz YZTBMFAGLLBEKW-GFCCVEGCSA-N 0 3 353.220 2.084 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)CSCC(=O)Nc2ccc(F)cc2)[C@@H](C)C1 ZINC000155335505 545513894 /nfs/dbraw/zinc/51/38/94/545513894.db2.gz YRYATXOWJWSXRN-BBRMVZONSA-N 0 3 367.490 2.342 10 0 FEAEHN O=C1CCCN1C[C@@H](O)CN1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000157043106 545693603 /nfs/dbraw/zinc/69/36/03/545693603.db2.gz FCQCSHGYFYJUSB-CVEARBPZSA-N 0 3 366.889 2.414 10 0 FEAEHN Cc1cccc(O[C@@H](C)C(=O)NC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000159311649 545942287 /nfs/dbraw/zinc/94/22/87/545942287.db2.gz SEQQLORMJUAIOL-PXNSSMCTSA-N 0 3 368.477 2.298 10 0 FEAEHN COc1cccc(C(=O)N2CC[C@](O)(c3ccccc3)[C@H](N(C)C)C2)c1 ZINC000169793295 546161461 /nfs/dbraw/zinc/16/14/61/546161461.db2.gz GNSIQMYZKSDLOS-CTNGQTDRSA-N 0 3 354.450 2.359 10 0 FEAEHN COc1ccc([C@H](C)CCNC(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000175640241 546326622 /nfs/dbraw/zinc/32/66/22/546326622.db2.gz VIKMQRADGQWVSP-SJLPKXTDSA-N 0 3 363.502 2.335 10 0 FEAEHN COC(=O)COc1c(C)cc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1C ZINC000175894017 546367462 /nfs/dbraw/zinc/36/74/62/546367462.db2.gz SHIPWKJDSFLRQP-DOTOQJQBSA-N 0 3 360.454 2.164 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000176286786 546427759 /nfs/dbraw/zinc/42/77/59/546427759.db2.gz SUDPCFUYJWSGLS-INIZCTEOSA-N 0 3 374.485 2.107 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000176357586 546435647 /nfs/dbraw/zinc/43/56/47/546435647.db2.gz HVXKFZLLKCPYOQ-GOEBONIOSA-N 0 3 362.449 2.057 10 0 FEAEHN O=C(Nc1cnccc1-c1cccc(F)c1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000176417090 546442707 /nfs/dbraw/zinc/44/27/07/546442707.db2.gz CFLMRXWADAPMEQ-MRXNPFEDSA-N 0 3 368.412 2.133 10 0 FEAEHN C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCn3ncnc32)CCN1Cc1ccccc1 ZINC000176583273 546464294 /nfs/dbraw/zinc/46/42/94/546464294.db2.gz MDGNWAHSRHWDSP-BPQIPLTHSA-N 0 3 368.485 2.465 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(OC3CCCC3)nc2)C1 ZINC000176749452 546483265 /nfs/dbraw/zinc/48/32/65/546483265.db2.gz XWPFOLVSWUUJHG-PBHICJAKSA-N 0 3 374.485 2.186 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(Cl)c1N(C)C ZINC000176902304 546503846 /nfs/dbraw/zinc/50/38/46/546503846.db2.gz QWNCNQVPJDMTKD-ZDUSSCGKSA-N 0 3 366.893 2.287 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000176902918 546504905 /nfs/dbraw/zinc/50/49/05/546504905.db2.gz OLMJHBIFQLUGEW-SNVBAGLBSA-N 0 3 359.804 2.499 10 0 FEAEHN C[C@@H]1CN(CC(=O)N(Cc2ccccc2)C(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000177231824 546576164 /nfs/dbraw/zinc/57/61/64/546576164.db2.gz JFXILVPERXMQMH-QUCCMNQESA-N 0 3 373.541 2.466 10 0 FEAEHN CCc1cc2c(C[N@@H+]3C[C@@H](C)[C@H](N4CCOCC4)C3)cc(=O)oc2cc1[O-] ZINC000177271439 546583865 /nfs/dbraw/zinc/58/38/65/546583865.db2.gz QMZBRNACKSTWEJ-RDTXWAMCSA-N 0 3 372.465 2.214 10 0 FEAEHN CCc1cc2c(C[N@H+]3C[C@@H](C)[C@H](N4CCOCC4)C3)cc(=O)oc2cc1[O-] ZINC000177271439 546583871 /nfs/dbraw/zinc/58/38/71/546583871.db2.gz QMZBRNACKSTWEJ-RDTXWAMCSA-N 0 3 372.465 2.214 10 0 FEAEHN COCCCN(C)CCNC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000177561665 546645423 /nfs/dbraw/zinc/64/54/23/546645423.db2.gz XZAVYKPUJBXGCR-AWEZNQCLSA-N 0 3 353.467 2.008 10 0 FEAEHN O=C(Nc1ccc(SC(F)F)cc1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177694186 546668821 /nfs/dbraw/zinc/66/88/21/546668821.db2.gz OHRQPOPQQYUVIH-LBPRGKRZSA-N 0 3 355.410 2.246 10 0 FEAEHN O=C(Nc1ccc(OC2CCC2)c(F)c1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177694992 546668867 /nfs/dbraw/zinc/66/88/67/546668867.db2.gz YSFFHOZBGCNCAL-AWEZNQCLSA-N 0 3 361.417 2.002 10 0 FEAEHN CC(C)CCOc1cccc(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000177697668 546669859 /nfs/dbraw/zinc/66/98/59/546669859.db2.gz PSPVVUYMGGOSCK-QGZVFWFLSA-N 0 3 359.470 2.357 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1CC(=O)NCCOc1cccc(C)c1 ZINC000178321141 546774841 /nfs/dbraw/zinc/77/48/41/546774841.db2.gz PELAKYYVPJLMLZ-GOSISDBHSA-N 0 3 356.470 2.160 10 0 FEAEHN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2CCN3CCC[C@@H]3C2)c1 ZINC000178629064 546823688 /nfs/dbraw/zinc/82/36/88/546823688.db2.gz QSDYAODRDPXZIK-VQIMIIECSA-N 0 3 373.497 2.147 10 0 FEAEHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)c1nnc2n1CCCC2 ZINC000179201083 546912859 /nfs/dbraw/zinc/91/28/59/546912859.db2.gz WWDORFXRRBQGHK-YXJHDRRASA-N 0 3 368.485 2.420 10 0 FEAEHN CNc1cc(N2CCC[C@H]2CNCc2cn(C)nc2C(C)(C)C)ncn1 ZINC000179424120 546950933 /nfs/dbraw/zinc/95/09/33/546950933.db2.gz ATFJOHNIKVOOQA-HNNXBMFYSA-N 0 3 357.506 2.308 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)C1 ZINC000179764250 547010973 /nfs/dbraw/zinc/01/09/73/547010973.db2.gz YGIJEJPEJGFPSC-HNNXBMFYSA-N 0 3 358.446 2.408 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000180103426 547052668 /nfs/dbraw/zinc/05/26/68/547052668.db2.gz MWSJRFFXLILSGT-NSHDSACASA-N 0 3 359.804 2.499 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1Cc1ccccc1OCC(=O)N(C)C ZINC000180128526 547056486 /nfs/dbraw/zinc/05/64/86/547056486.db2.gz SGVGGHKYNMKYSZ-SFHVURJKSA-N 0 3 356.470 2.323 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(N3CCOC3=O)cc1)CC2 ZINC000180616640 547142479 /nfs/dbraw/zinc/14/24/79/547142479.db2.gz JQKYKSUOUMTRIY-DZGCQCFKSA-N 0 3 355.442 2.463 10 0 FEAEHN COC(=O)Cn1cc(CCN[C@H](C)c2ccccc2Br)nn1 ZINC000181574633 547338933 /nfs/dbraw/zinc/33/89/33/547338933.db2.gz KXAKSTWKBVVHFT-LLVKDONJSA-N 0 3 367.247 2.107 10 0 FEAEHN CC[C@H]1CN(Cc2cc(C(=O)OC)ccc2Cl)CCN1C[C@@H](C)O ZINC000181923974 547406120 /nfs/dbraw/zinc/40/61/20/547406120.db2.gz FFWINOVWFORGCX-CJNGLKHVSA-N 0 3 354.878 2.404 10 0 FEAEHN COCc1nnc(-c2cccc(C(=O)N3C[C@H]4CCCN4C[C@H]3C)c2)o1 ZINC000182038154 547426326 /nfs/dbraw/zinc/42/63/26/547426326.db2.gz FIYDXSYNPFDDLR-CZUORRHYSA-N 0 3 356.426 2.192 10 0 FEAEHN Cc1ccc(Cl)c(OC[C@H](O)CN2CCC[C@H](n3cncn3)C2)c1 ZINC000182355510 547478293 /nfs/dbraw/zinc/47/82/93/547478293.db2.gz NWJSYIJJSNGNFB-LSDHHAIUSA-N 0 3 350.850 2.317 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(F)c(OC)cc1C ZINC000184877722 547892471 /nfs/dbraw/zinc/89/24/71/547892471.db2.gz PBSJVLQMSBQVBO-ZDUSSCGKSA-N 0 3 351.422 2.024 10 0 FEAEHN CN(C)[C@H](CNC(=O)CN1CCC(c2ccnn2C)CC1)c1ccccc1 ZINC000184960258 547907628 /nfs/dbraw/zinc/90/76/28/547907628.db2.gz CLQPEDZRMOYFNO-HXUWFJFHSA-N 0 3 369.513 2.019 10 0 FEAEHN Cc1nc(C)n(C[C@@H]2CCCN(Cc3cc(-c4cnn(C)c4)no3)C2)n1 ZINC000184999596 547915620 /nfs/dbraw/zinc/91/56/20/547915620.db2.gz ORQDEDICTGNCKH-OAHLLOKOSA-N 0 3 355.446 2.196 10 0 FEAEHN COc1ccc2c(c1)nc(CNC(=O)N[C@@H](CC(C)C)CN(C)C)n2C ZINC000185813199 548039025 /nfs/dbraw/zinc/03/90/25/548039025.db2.gz JHCPDRGQKBLGDD-AWEZNQCLSA-N 0 3 361.490 2.357 10 0 FEAEHN CC(C)c1nnc2n1C[C@H](N[C@@H](Cc1ccc(Cl)cc1)C(N)=O)CC2 ZINC000185912565 548057950 /nfs/dbraw/zinc/05/79/50/548057950.db2.gz YYUWTSNSISODLJ-CABCVRRESA-N 0 3 361.877 2.056 10 0 FEAEHN CCOc1ccc(NC(=O)N2CCO[C@H](CN(C)C)C2)c2ncccc12 ZINC000186036235 548075397 /nfs/dbraw/zinc/07/53/97/548075397.db2.gz YTKYQKHCJCPMCK-CQSZACIVSA-N 0 3 358.442 2.428 10 0 FEAEHN CCN1CCC[C@H](NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000194268188 548457861 /nfs/dbraw/zinc/45/78/61/548457861.db2.gz ZTYNQRHAHUUGTA-ZFWWWQNUSA-N 0 3 353.260 2.353 10 0 FEAEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)C1CCC(O)CC1 ZINC000194387101 548473954 /nfs/dbraw/zinc/47/39/54/548473954.db2.gz HIXLVZWROLIJKN-XVAXZDLZSA-N 0 3 374.525 2.442 10 0 FEAEHN Cc1cc(NC(=O)CN2CC[C@@H](CN(C)Cc3scnc3C)C2)no1 ZINC000195250908 548604196 /nfs/dbraw/zinc/60/41/96/548604196.db2.gz ZRSAMYWRXQXPST-AWEZNQCLSA-N 0 3 363.487 2.140 10 0 FEAEHN CO[C@H](C)c1noc(CN2CC[C@H](CN(C)Cc3scnc3C)C2)n1 ZINC000195267906 548607722 /nfs/dbraw/zinc/60/77/22/548607722.db2.gz DZAFRRRIAKXNKI-ZIAGYGMSSA-N 0 3 365.503 2.496 10 0 FEAEHN O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCN2CCC[C@@H]2C1 ZINC000195323570 548623582 /nfs/dbraw/zinc/62/35/82/548623582.db2.gz MDPNXDJYZJGOGM-QGZVFWFLSA-N 0 3 371.868 2.470 10 0 FEAEHN Cc1ccc([C@@H](C)NS(=O)(=O)c2c(C)nn(CCN(C)C)c2C)o1 ZINC000195333187 548625777 /nfs/dbraw/zinc/62/57/77/548625777.db2.gz NATKBYKAPAFIFE-GFCCVEGCSA-N 0 3 354.476 2.002 10 0 FEAEHN COc1ccc(-c2noc(CCCC(=O)N3CCN4CCC[C@H]4C3)n2)cc1 ZINC000195331588 548625971 /nfs/dbraw/zinc/62/59/71/548625971.db2.gz ODVGWBTYKUAKMG-INIZCTEOSA-N 0 3 370.453 2.375 10 0 FEAEHN CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000195339055 548626836 /nfs/dbraw/zinc/62/68/36/548626836.db2.gz IIXDBOKCWAFPHT-INIZCTEOSA-N 0 3 351.491 2.330 10 0 FEAEHN CCC[C@H](N)C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 ZINC000236875270 548785908 /nfs/dbraw/zinc/78/59/08/548785908.db2.gz ZBBUXYRTWPWINH-RCBQFDQVSA-N 0 3 371.884 2.485 10 0 FEAEHN CCC[C@@H](N)C(=O)N[C@@H](CC)c1ccccc1OCC(=O)N1CCCC1 ZINC000236984912 548793035 /nfs/dbraw/zinc/79/30/35/548793035.db2.gz ZLIVEVIHGYEDJZ-SJORKVTESA-N 0 3 361.486 2.383 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000245425133 548914799 /nfs/dbraw/zinc/91/47/99/548914799.db2.gz DMXYGRXIJWGVCH-DLBZAZTESA-N 0 3 352.523 2.007 10 0 FEAEHN O=C1CCCN1C[C@H](O)CN1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000245758318 548989932 /nfs/dbraw/zinc/98/99/32/548989932.db2.gz FCQCSHGYFYJUSB-HZPDHXFCSA-N 0 3 366.889 2.414 10 0 FEAEHN COc1ccc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)cc1OC(F)F ZINC000245763148 548990512 /nfs/dbraw/zinc/99/05/12/548990512.db2.gz QEGLJYHNYJNSSD-DZGCQCFKSA-N 0 3 356.413 2.449 10 0 FEAEHN CCOc1ccc([C@H](C)NC(=O)CN2CCN3CCC[C@H]3C2)cc1OC ZINC000245922701 549020196 /nfs/dbraw/zinc/02/01/96/549020196.db2.gz MRDAHJWKFJOFGC-RDJZCZTQSA-N 0 3 361.486 2.051 10 0 FEAEHN CNC(=O)[C@H](NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)C(C)C ZINC000246260113 549091586 /nfs/dbraw/zinc/09/15/86/549091586.db2.gz WZHOWGVIVQNRNI-FUHWJXTLSA-N 0 3 360.502 2.063 10 0 FEAEHN O=C(CN1CCN2CCC[C@H]2C1)Nc1ccc(Br)cc1F ZINC000246268897 549092631 /nfs/dbraw/zinc/09/26/31/549092631.db2.gz GZEGPWNEOLEAAT-LBPRGKRZSA-N 0 3 356.239 2.307 10 0 FEAEHN CC[C@@H]1CN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CCN1C[C@@H](C)O ZINC000246303378 549101168 /nfs/dbraw/zinc/10/11/68/549101168.db2.gz JFYBRMFSZADBQU-OLMNPRSZSA-N 0 3 374.447 2.386 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2N(C)C)C1 ZINC000246473130 549141947 /nfs/dbraw/zinc/14/19/47/549141947.db2.gz QEWZWTQFQFFKJU-SWLSCSKDSA-N 0 3 366.893 2.189 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc3oc(C4CC4)nc3c2)C1 ZINC000246523123 549151910 /nfs/dbraw/zinc/15/19/10/549151910.db2.gz UIVXOLHCFIXFRV-BLLLJJGKSA-N 0 3 370.453 2.489 10 0 FEAEHN CC(C)Cn1nc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c2ccccc2c1=O ZINC000246798504 549215905 /nfs/dbraw/zinc/21/59/05/549215905.db2.gz BTJHBUJLYIXIEU-CVEARBPZSA-N 0 3 368.481 2.361 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000246952854 549250850 /nfs/dbraw/zinc/25/08/50/549250850.db2.gz ICTZUUJTFZZHIO-XIRDDKMYSA-N 0 3 361.490 2.060 10 0 FEAEHN COc1ccc(-c2noc(CN3C[C@@H]4CCCN4C[C@H]3C)n2)c(OC)c1 ZINC000246986856 549257488 /nfs/dbraw/zinc/25/74/88/549257488.db2.gz FCDOCMSRLZKNRD-KGLIPLIRSA-N 0 3 358.442 2.422 10 0 FEAEHN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000247061227 549275466 /nfs/dbraw/zinc/27/54/66/549275466.db2.gz GXKURZWNEGOEIJ-AZUAARDMSA-N 0 3 364.530 2.385 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000247320098 549317565 /nfs/dbraw/zinc/31/75/65/549317565.db2.gz MKLSRHPXSVQQJD-VQIMIIECSA-N 0 3 357.498 2.384 10 0 FEAEHN CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000247371432 549324989 /nfs/dbraw/zinc/32/49/89/549324989.db2.gz FERAKJPBGVMOOR-HOTGVXAUSA-N 0 3 366.506 2.123 10 0 FEAEHN C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248183143 549414713 /nfs/dbraw/zinc/41/47/13/549414713.db2.gz WTVPNFQIAXIKGZ-DXIQSLLYSA-N 0 3 371.525 2.351 10 0 FEAEHN Cc1csc(=O)n1CCN1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248579920 549461892 /nfs/dbraw/zinc/46/18/92/549461892.db2.gz IDXRPHSHJQTRPP-KKUMJFAQSA-N 0 3 367.515 2.453 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000248631255 549471578 /nfs/dbraw/zinc/47/15/78/549471578.db2.gz QUGZANBOLQWFFK-KBXCAEBGSA-N 0 3 372.444 2.172 10 0 FEAEHN O[C@@H](CN1CCCC[C@@H]1c1cn[nH]c1)CN1CCCC[C@H]1c1cn[nH]c1 ZINC000248721837 549490919 /nfs/dbraw/zinc/49/09/19/549490919.db2.gz FVHWKAPCXAYJOB-REPLKXPHSA-N 0 3 358.490 2.248 10 0 FEAEHN Cc1cc(C)nc(-n2nccc2NC(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)n1 ZINC000249091851 549549687 /nfs/dbraw/zinc/54/96/87/549549687.db2.gz OBADENKBALFZHV-IUODEOHRSA-N 0 3 357.462 2.129 10 0 FEAEHN CCN(CC)C(=O)[C@@H](C)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000249107552 549553535 /nfs/dbraw/zinc/55/35/35/549553535.db2.gz VPHPPJHHPUBNRV-IAGOWNOFSA-N 0 3 369.550 2.371 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000249157525 549563295 /nfs/dbraw/zinc/56/32/95/549563295.db2.gz IQQCMPWRDJMFFO-BMGDILEWSA-N 0 3 359.470 2.418 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000249196624 549568541 /nfs/dbraw/zinc/56/85/41/549568541.db2.gz QFLPUMVFPLKRKS-WFASDCNBSA-N 0 3 368.437 2.339 10 0 FEAEHN CCN1CCCC[C@H]1CNC(=O)N1CCO[C@@H](c2nc(C)cs2)C1 ZINC000249211075 549569181 /nfs/dbraw/zinc/56/91/81/549569181.db2.gz CWHIFEUUIUHTIF-LSDHHAIUSA-N 0 3 352.504 2.409 10 0 FEAEHN OC[C@@H]1CN(C[C@@H](O)COCc2cccs2)C[C@H]1c1ccsc1 ZINC000249555118 549604319 /nfs/dbraw/zinc/60/43/19/549604319.db2.gz JLLFJDFEKPVZOP-UXLLHSPISA-N 0 3 353.509 2.395 10 0 FEAEHN COC[C@@H](NC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1)C1CC1 ZINC000251855032 549655349 /nfs/dbraw/zinc/65/53/49/549655349.db2.gz QYOOVCHLBUTUBT-GDBMZVCRSA-N 0 3 366.531 2.340 10 0 FEAEHN COc1cc([C@H](C)NC(=O)[C@H](N)C2CCOCC2)ccc1OC(C)C ZINC000261768150 549753167 /nfs/dbraw/zinc/75/31/67/549753167.db2.gz MEWWOYBDQRWQSB-SCLBCKFNSA-N 0 3 350.459 2.414 10 0 FEAEHN CC(C)C1CCC(N2CCN(C(=O)[C@@H](N)C3CCOCC3)CC2)CC1 ZINC000261809641 549758056 /nfs/dbraw/zinc/75/80/56/549758056.db2.gz OSAMVLKYONTRBS-KVZIAJEVSA-N 0 3 351.535 2.099 10 0 FEAEHN NC1(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)CCOCC1 ZINC000261939373 549771719 /nfs/dbraw/zinc/77/17/19/549771719.db2.gz XDUUUSKNOAHRFT-OAHLLOKOSA-N 0 3 369.868 2.240 10 0 FEAEHN COCCSc1ccc([C@@H](C)NC(=O)[C@H](N)C2CCOCC2)cc1 ZINC000262006449 549779037 /nfs/dbraw/zinc/77/90/37/549779037.db2.gz NVIIOPYJXQEQPB-CXAGYDPISA-N 0 3 352.500 2.356 10 0 FEAEHN COCCc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@@H](O)CN3)cc2)cc1 ZINC000262556130 549828198 /nfs/dbraw/zinc/82/81/98/549828198.db2.gz UYNVDKQCYZPRBD-APWZRJJASA-N 0 3 356.422 2.329 10 0 FEAEHN COc1ccccc1Nc1ncccc1-c1nc([C@@H]2CNCCN2C)no1 ZINC000263236196 549887816 /nfs/dbraw/zinc/88/78/16/549887816.db2.gz OCDGTJWAJOUNFJ-HNNXBMFYSA-N 0 3 366.425 2.460 10 0 FEAEHN Cc1nc(CCCN[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)cs1 ZINC000328624728 553797741 /nfs/dbraw/zinc/79/77/41/553797741.db2.gz KCLNLAHYLBEEAE-CRAIPNDOSA-N 0 3 361.515 2.296 10 0 FEAEHN CCc1nn(C)cc1CN1CCC[C@@H](N(Cc2cncnc2)C(C)=O)CC1 ZINC000328628498 553799028 /nfs/dbraw/zinc/79/90/28/553799028.db2.gz HIKBIHOMJFVZOQ-LJQANCHMSA-N 0 3 370.501 2.176 10 0 FEAEHN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000375473831 558033863 /nfs/dbraw/zinc/03/38/63/558033863.db2.gz XHIRDZRLKFARAG-ACDHPSKBSA-N 0 3 352.519 2.322 10 0 FEAEHN Cn1nc(Br)cc1C1=C[C@@H](N)CN(C(=O)OC(C)(C)C)C1 ZINC000675078661 571272679 /nfs/dbraw/zinc/27/26/79/571272679.db2.gz RCHJUCCZXGTJLN-SNVBAGLBSA-N 0 3 357.252 2.144 10 0 FEAEHN Cc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000025695805 670064086 /nfs/dbraw/zinc/06/40/86/670064086.db2.gz ZSVMTZQJDLKALR-RDJZCZTQSA-N 0 3 363.479 2.489 10 0 FEAEHN C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000161472384 672297489 /nfs/dbraw/zinc/29/74/89/672297489.db2.gz CACIVFNWXOWHNS-QSOAKEGCSA-N 0 3 352.500 2.012 10 0 FEAEHN CC1(C)c2cc(Cl)ccc2N(CC(=O)N[C@H]2CN3CCC2CC3)C1=O ZINC000222567449 672792466 /nfs/dbraw/zinc/79/24/66/672792466.db2.gz MOLXNFWKGGYQBI-HNNXBMFYSA-N 0 3 361.873 2.175 10 0 FEAEHN CCN1CCN(CCCCNC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000043166064 540092857 /nfs/dbraw/zinc/09/28/57/540092857.db2.gz PYGJIOGIMQJTJN-GOSISDBHSA-N 0 3 360.502 2.227 10 0 FEAEHN O=C(NC[C@@H](O)CN1CCCCC1)N[C@H]1CCc2c1cccc2Cl ZINC000056901673 540754677 /nfs/dbraw/zinc/75/46/77/540754677.db2.gz LQIFODKKQPXXFS-DYVFJYSZSA-N 0 3 351.878 2.473 10 0 FEAEHN O=C(NCCOc1cccc2ccccc21)NC[C@H](O)CN1CCCCC1 ZINC000056961935 540757869 /nfs/dbraw/zinc/75/78/69/540757869.db2.gz QOUXZGOZHMWLMK-SFHVURJKSA-N 0 3 371.481 2.365 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)C1 ZINC000066485432 541325560 /nfs/dbraw/zinc/32/55/60/541325560.db2.gz ODJCDTNJIKETGH-GOSISDBHSA-N 0 3 369.469 2.126 10 0 FEAEHN CCCc1nc(CS(=O)(=O)C(C)C(=O)N[C@@H](C)c2ccccc2)no1 ZINC000066503274 541330225 /nfs/dbraw/zinc/33/02/25/541330225.db2.gz HIFVWXBOAXFWLE-QWHCGFSZSA-N 0 3 365.455 2.203 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Nc2ccccc2SCCC(N)=O)C1 ZINC000069339470 541679146 /nfs/dbraw/zinc/67/91/46/541679146.db2.gz OMWLYDQXVFSVIC-ZDUSSCGKSA-N 0 3 350.488 2.260 10 0 FEAEHN Cc1cc(S(=O)(=O)N(C)C[C@H]2CCN(C)C2)ccc1Br ZINC000071192996 541765870 /nfs/dbraw/zinc/76/58/70/541765870.db2.gz RRYYXFVEVCTHEO-LBPRGKRZSA-N 0 3 361.305 2.330 10 0 FEAEHN CCCn1ncc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)c1C ZINC000072140492 541786229 /nfs/dbraw/zinc/78/62/29/541786229.db2.gz AYODAESVIKINQO-MOPGFXCFSA-N 0 3 368.481 2.150 10 0 FEAEHN C[C@H](CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)N1CCOCC1 ZINC000074850630 542129161 /nfs/dbraw/zinc/12/91/61/542129161.db2.gz MXLYQECHYMEOFC-UYAOXDASSA-N 0 3 374.529 2.013 10 0 FEAEHN CC(C)(C)OC[C@@H](O)CN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000076609339 542300419 /nfs/dbraw/zinc/30/04/19/542300419.db2.gz WZROFIKLRVGOPR-HOTGVXAUSA-N 0 3 350.507 2.360 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCC(=O)N1CCCc2ccccc21 ZINC000098119899 543022682 /nfs/dbraw/zinc/02/26/82/543022682.db2.gz CZTIMAITVSCYKZ-QGZVFWFLSA-N 0 3 360.502 2.241 10 0 FEAEHN C[C@H](NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000098144182 543023814 /nfs/dbraw/zinc/02/38/14/543023814.db2.gz AHTHLPQUAKCPMP-KXBFYZLASA-N 0 3 354.450 2.485 10 0 FEAEHN CCn1cnnc1[C@@H]1CCCN(CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000103477487 543110186 /nfs/dbraw/zinc/11/01/86/543110186.db2.gz PKIBWLFJMAZLBH-OAHLLOKOSA-N 0 3 367.453 2.164 10 0 FEAEHN CN(C)CCOc1cccc(CNC(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000105114123 543159096 /nfs/dbraw/zinc/15/90/96/543159096.db2.gz ISLLRWIPZRHEDC-GOSISDBHSA-N 0 3 360.502 2.007 10 0 FEAEHN Cn1cc(CN2CCCN(CCC(=O)Nc3cccc(F)c3)CC2)cn1 ZINC000106154336 543209159 /nfs/dbraw/zinc/20/91/59/543209159.db2.gz YABIKIRNIGUZCN-UHFFFAOYSA-N 0 3 359.449 2.096 10 0 FEAEHN Cc1nc(C)n(C[C@H]2CCCN(C[C@H](O)COc3ccc(C)cc3)C2)n1 ZINC000106178836 543213889 /nfs/dbraw/zinc/21/38/89/543213889.db2.gz PIOZMPMQCTVQGB-OALUTQOASA-N 0 3 358.486 2.355 10 0 FEAEHN CN([C@@H]1CCN(c2ccccc2)C1=O)C1CCN(CCn2cccn2)CC1 ZINC000109379023 543322953 /nfs/dbraw/zinc/32/29/53/543322953.db2.gz CLVVOAFJCCSUPE-HXUWFJFHSA-N 0 3 367.497 2.085 10 0 FEAEHN O=C1CCCN1C[C@@H](O)CN1CCC(c2nc3ccccc3s2)CC1 ZINC000111683216 543412001 /nfs/dbraw/zinc/41/20/01/543412001.db2.gz AOXGSHQTWJHTNA-HNNXBMFYSA-N 0 3 359.495 2.459 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)cc1NC(=O)C(C)(C)C ZINC000111907028 543424682 /nfs/dbraw/zinc/42/46/82/543424682.db2.gz BCYCBJSTJRMTCH-OAHLLOKOSA-N 0 3 374.485 2.081 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@H](C)C(=O)NCc1ccccc1Cl)CC2 ZINC000112550647 543451376 /nfs/dbraw/zinc/45/13/76/543451376.db2.gz FVCGTPTUGZYVQC-TZMCWYRMSA-N 0 3 361.877 2.103 10 0 FEAEHN CN(C)C[C@H](NC(=O)NCC1(C(=O)N(C)C)CCCC1)c1ccccc1 ZINC000113584454 543491060 /nfs/dbraw/zinc/49/10/60/543491060.db2.gz MYPBOPCVBKTANX-KRWDZBQOSA-N 0 3 360.502 2.237 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)c3cccc(F)c3F)CC2)nc1 ZINC000114414316 543514425 /nfs/dbraw/zinc/51/44/25/543514425.db2.gz GMHZUJWJTBSSQD-UHFFFAOYSA-N 0 3 360.408 2.384 10 0 FEAEHN CCc1nc(COc2ccc(C(=O)N[C@@H]3CCCN(CC)C3)cc2)no1 ZINC000115371930 543562817 /nfs/dbraw/zinc/56/28/17/543562817.db2.gz ZDONZRCDGZCIFG-OAHLLOKOSA-N 0 3 358.442 2.425 10 0 FEAEHN CC[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CCN1CCOC ZINC000117469315 543632211 /nfs/dbraw/zinc/63/22/11/543632211.db2.gz LBIUSZVWPJTPPL-MOPGFXCFSA-N 0 3 362.518 2.042 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)CCO1 ZINC000116792741 543615963 /nfs/dbraw/zinc/61/59/63/543615963.db2.gz MHUWDLLLQGQAIT-HNNXBMFYSA-N 0 3 363.458 2.276 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000247492395 549343484 /nfs/dbraw/zinc/34/34/84/549343484.db2.gz WZHSGTLFAWOMPS-TZMCWYRMSA-N 0 3 350.488 2.114 10 0 FEAEHN Cc1nc(COc2cccc(C(=O)N[C@@H]3CN(C(C)C)C[C@@H]3C)c2)no1 ZINC000126470889 543937846 /nfs/dbraw/zinc/93/78/46/543937846.db2.gz WRVOFAWURVNMSV-SUMWQHHRSA-N 0 3 358.442 2.416 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000127332343 543986308 /nfs/dbraw/zinc/98/63/08/543986308.db2.gz PQAMFMIGHYKAAR-CQSZACIVSA-N 0 3 360.433 2.078 10 0 FEAEHN Cc1cc(=O)c(C(=O)N[C@H](CC(C)C)CN(C)C)nn1-c1ccccc1 ZINC000128912133 544080293 /nfs/dbraw/zinc/08/02/93/544080293.db2.gz LMDVEJWSMIYUNI-MRXNPFEDSA-N 0 3 356.470 2.247 10 0 FEAEHN O=C1CCCN1C[C@@H](O)CN1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000132915064 544248515 /nfs/dbraw/zinc/24/85/15/544248515.db2.gz IRXOFKUSYGFVQS-GXTWGEPZSA-N 0 3 373.280 2.430 10 0 FEAEHN COc1cccc(N2CCN(C(=O)N[C@H]3CN(C(C)C)C[C@H]3C)CC2)c1 ZINC000132418454 544230840 /nfs/dbraw/zinc/23/08/40/544230840.db2.gz GNTPNVPRVHWDLD-APWZRJJASA-N 0 3 360.502 2.256 10 0 FEAEHN COCOc1ccc(OC)cc1CN[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000136292129 544370703 /nfs/dbraw/zinc/37/07/03/544370703.db2.gz QESPXRJZJOMHEA-OAHLLOKOSA-N 0 3 360.458 2.497 10 0 FEAEHN CN1CCO[C@H](CNCc2cccc3c2N(C(=O)OC(C)(C)C)CC3)C1 ZINC000150775225 544469850 /nfs/dbraw/zinc/46/98/50/544469850.db2.gz JCJSYVYQBKVEDJ-QGZVFWFLSA-N 0 3 361.486 2.404 10 0 FEAEHN COc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1Cl ZINC000150783672 544470942 /nfs/dbraw/zinc/47/09/42/544470942.db2.gz ARSWZWUBVLPWLQ-FZMZJTMJSA-N 0 3 353.850 2.132 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c2cccnc12 ZINC000150804522 544474053 /nfs/dbraw/zinc/47/40/53/544474053.db2.gz BFFQJPJZNFQUHD-WMLDXEAASA-N 0 3 354.454 2.327 10 0 FEAEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)Nc1cccnn1 ZINC000151755874 544575993 /nfs/dbraw/zinc/57/59/93/544575993.db2.gz LHPYXXZDFSIFJI-GOSISDBHSA-N 0 3 369.469 2.386 10 0 FEAEHN O=C1c2ccccc2C(=O)N1CCCN1CC[C@@H](Oc2cccnc2)C1 ZINC000152327106 544639561 /nfs/dbraw/zinc/63/95/61/544639561.db2.gz JPCYEHGXNLFDNQ-MRXNPFEDSA-N 0 3 351.406 2.221 10 0 FEAEHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCn3ncnc32)CN1Cc1ccccc1 ZINC000153338123 544763585 /nfs/dbraw/zinc/76/35/85/544763585.db2.gz JNMLLBLYFFFWJW-HYVNUMGLSA-N 0 3 354.458 2.075 10 0 FEAEHN CCC[C@H](C(=O)N[C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1)N(C)C ZINC000153561726 544791129 /nfs/dbraw/zinc/79/11/29/544791129.db2.gz ZBAFSCKPMNLMEU-VQIMIIECSA-N 0 3 363.502 2.125 10 0 FEAEHN CCO[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCN2CCOC)C12CCCC2 ZINC000154927930 544966133 /nfs/dbraw/zinc/96/61/33/544966133.db2.gz CHJZZYXAOJGKKX-OKZBNKHCSA-N 0 3 367.534 2.476 10 0 FEAEHN CC(C)n1cnnc1-c1ccccc1NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000181229241 327721585 /nfs/dbraw/zinc/72/15/85/327721585.db2.gz UCAMLPWUACWQGB-HNNXBMFYSA-N 0 3 372.473 2.320 10 0 FEAEHN COC(=O)c1ccccc1OCCN1CCC(N(C)c2cccnn2)CC1 ZINC000182135223 327762488 /nfs/dbraw/zinc/76/24/88/327762488.db2.gz OQVJYOHZJNVJLO-UHFFFAOYSA-N 0 3 370.453 2.243 10 0 FEAEHN CCC[C@@H](N)C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000182630984 327782973 /nfs/dbraw/zinc/78/29/73/327782973.db2.gz PAUMFXRQFFQDJN-CQSZACIVSA-N 0 3 370.291 2.029 10 0 FEAEHN C[C@@H](NCC(=O)Nc1cccc(CN2CCSCC2)c1)[C@H]1CCCO1 ZINC000183144889 327803797 /nfs/dbraw/zinc/80/37/97/327803797.db2.gz DVADCZFDRQADAU-CRAIPNDOSA-N 0 3 363.527 2.331 10 0 FEAEHN COc1ccccc1C1(CNC(=O)N2CCO[C@H](CN(C)C)C2)CCC1 ZINC000185206880 327906005 /nfs/dbraw/zinc/90/60/05/327906005.db2.gz SMIHSCMKFDQPBT-MRXNPFEDSA-N 0 3 361.486 2.089 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)CCO1 ZINC000187069621 328000424 /nfs/dbraw/zinc/00/04/24/328000424.db2.gz JKJLVWZVDVYWGZ-LJQANCHMSA-N 0 3 368.433 2.026 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000187374988 328020674 /nfs/dbraw/zinc/02/06/74/328020674.db2.gz HKELPWPPYAQUBC-IAGOWNOFSA-N 0 3 372.494 2.391 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(Cn2cncn2)CC1 ZINC000187390834 328021900 /nfs/dbraw/zinc/02/19/00/328021900.db2.gz QDMFVZGYPPOTBL-KRWDZBQOSA-N 0 3 370.501 2.220 10 0 FEAEHN CC(C)(C)OC(=O)N1CC=C(CNC(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000188050672 328062685 /nfs/dbraw/zinc/06/26/85/328062685.db2.gz RIDWQZQVJVHJMD-INIZCTEOSA-N 0 3 364.490 2.043 10 0 FEAEHN O=C(CCN1C[C@@H](c2ccsc2)[C@H](CO)C1)NC(=O)Nc1ccccc1 ZINC000188067098 328063606 /nfs/dbraw/zinc/06/36/06/328063606.db2.gz ZHTSYXGVWJCTSP-RDJZCZTQSA-N 0 3 373.478 2.494 10 0 FEAEHN CC1(C(=O)N2CC(NC(=O)C3CCC3)C2)CCN(Cc2ccccc2)CC1 ZINC000188547331 328094408 /nfs/dbraw/zinc/09/44/08/328094408.db2.gz SEQUXTCRIJZZCL-UHFFFAOYSA-N 0 3 369.509 2.416 10 0 FEAEHN CCCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000190081511 328186736 /nfs/dbraw/zinc/18/67/36/328186736.db2.gz PZBJUGKGKZVPIU-DZGCQCFKSA-N 0 3 363.433 2.248 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(Cl)c1N(C)C ZINC000190088677 328187465 /nfs/dbraw/zinc/18/74/65/328187465.db2.gz HAECRZPBJLFPCA-CHWSQXEVSA-N 0 3 364.877 2.040 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cnc(Cl)cc1C ZINC000190340702 328201028 /nfs/dbraw/zinc/20/10/28/328201028.db2.gz GWTGBJXEDMUAJC-QWHCGFSZSA-N 0 3 350.850 2.067 10 0 FEAEHN CCn1cc([C@H]2CN(C(=O)NC[C@H](c3ccccc3)N(C)C)CCO2)cn1 ZINC000190357742 328202635 /nfs/dbraw/zinc/20/26/35/328202635.db2.gz QDUFGDUGCYGPFP-RTBURBONSA-N 0 3 371.485 2.289 10 0 FEAEHN Cc1cc(NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)cc(C)c1Br ZINC000190448569 328208282 /nfs/dbraw/zinc/20/82/82/328208282.db2.gz ATPGDLVWPXNIFU-CYBMUJFWSA-N 0 3 368.275 2.167 10 0 FEAEHN COc1ncccc1NC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190496198 328211494 /nfs/dbraw/zinc/21/14/94/328211494.db2.gz PZUCTDJVUKJYFD-INIZCTEOSA-N 0 3 355.442 2.471 10 0 FEAEHN COCc1cc(C(=O)N2CC[C@@H](CN(C)Cc3scnc3C)C2)no1 ZINC000190524029 328213902 /nfs/dbraw/zinc/21/39/02/328213902.db2.gz VFZUUDJBICOBDC-ZDUSSCGKSA-N 0 3 364.471 2.180 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)CCCNC(=O)C(C)(C)C)C1 ZINC000190601293 328218843 /nfs/dbraw/zinc/21/88/43/328218843.db2.gz DJBMQPUTFSNUQN-GOSISDBHSA-N 0 3 374.529 2.304 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cccc3c2OCCO3)C1 ZINC000190652986 328222226 /nfs/dbraw/zinc/22/22/26/328222226.db2.gz MPRMHKIKGJMEDS-KRWDZBQOSA-N 0 3 367.449 2.447 10 0 FEAEHN CC[C@@H](COC)NC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000190716370 328227093 /nfs/dbraw/zinc/22/70/93/328227093.db2.gz ZHLHDPBMZYYRFT-GJZGRUSLSA-N 0 3 354.520 2.340 10 0 FEAEHN Cc1cc(C[C@H](C)NC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)[nH]n1 ZINC000190728586 328228286 /nfs/dbraw/zinc/22/82/86/328228286.db2.gz OTRMYYHULPDCDD-YJBOKZPZSA-N 0 3 370.501 2.208 10 0 FEAEHN CCC[C@H](C(=O)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1)N(C)C ZINC000191588504 328272913 /nfs/dbraw/zinc/27/29/13/328272913.db2.gz GIBMIBKFWIYZOK-IAGOWNOFSA-N 0 3 369.550 2.371 10 0 FEAEHN CC[C@@H](C(=O)OC(C)(C)C)N(C)C1CCN(CCn2cccn2)CC1 ZINC000192003712 328293134 /nfs/dbraw/zinc/29/31/34/328293134.db2.gz XEWFMKJWGJIIIF-KRWDZBQOSA-N 0 3 350.507 2.400 10 0 FEAEHN C[N@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000192146567 328302608 /nfs/dbraw/zinc/30/26/08/328302608.db2.gz XQOLVWRBKPPODZ-OALUTQOASA-N 0 3 373.497 2.049 10 0 FEAEHN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000192146567 328302610 /nfs/dbraw/zinc/30/26/10/328302610.db2.gz XQOLVWRBKPPODZ-OALUTQOASA-N 0 3 373.497 2.049 10 0 FEAEHN CC(C)c1nnc2n1C[C@@H](NCc1ccc3c(c1)sc(=O)n3C)CC2 ZINC000192531882 328324058 /nfs/dbraw/zinc/32/40/58/328324058.db2.gz VATCIYYNVPXSHR-ZDUSSCGKSA-N 0 3 357.483 2.420 10 0 FEAEHN CNCC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000193140189 328359571 /nfs/dbraw/zinc/35/95/71/328359571.db2.gz YFHXUHISPQNCDW-UHFFFAOYSA-N 0 3 355.154 2.182 10 0 FEAEHN CCCc1csc(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)n1 ZINC000193215852 328363114 /nfs/dbraw/zinc/36/31/14/328363114.db2.gz LEHCRFQCQIPHQM-CQSZACIVSA-N 0 3 352.504 2.271 10 0 FEAEHN O=S(=O)(N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1)N1CCCCCC1 ZINC000193439339 328375826 /nfs/dbraw/zinc/37/58/26/328375826.db2.gz AHXFKCOBLRYFLX-WMLDXEAASA-N 0 3 373.469 2.121 10 0 FEAEHN CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C)cc1 ZINC000193802942 328396353 /nfs/dbraw/zinc/39/63/53/328396353.db2.gz HIMIWVHMGLGFBO-INIZCTEOSA-N 0 3 362.474 2.066 10 0 FEAEHN COc1cc(CC(=O)N[C@H](CC(C)C)CN(C)C)cc(OC)c1OC ZINC000077730325 325009611 /nfs/dbraw/zinc/00/96/11/325009611.db2.gz TYBCHRZUBLMHGE-OAHLLOKOSA-N 0 3 352.475 2.347 10 0 FEAEHN CCN(CC)Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000077937938 325026346 /nfs/dbraw/zinc/02/63/46/325026346.db2.gz FUUUKNOFSVEYRD-SJLPKXTDSA-N 0 3 361.486 2.134 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)N1CCC[C@@H](NC(C)=O)C1)c1ccsc1 ZINC000079251104 325083343 /nfs/dbraw/zinc/08/33/43/325083343.db2.gz VAUADSJLZLLQJK-IAGOWNOFSA-N 0 3 366.531 2.441 10 0 FEAEHN CCn1ccnc1CS(=O)(=O)C(C)C(=O)N(C)Cc1ccccc1C ZINC000083066801 325212655 /nfs/dbraw/zinc/21/26/55/325212655.db2.gz SAOQJPFZJRDKQF-OAHLLOKOSA-N 0 3 363.483 2.173 10 0 FEAEHN C[C@H](CC(=O)NC[C@H](N)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000237654931 328523901 /nfs/dbraw/zinc/52/39/01/328523901.db2.gz MVECGRJJJYPONJ-DYVFJYSZSA-N 0 3 364.442 2.194 10 0 FEAEHN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000088756092 325299910 /nfs/dbraw/zinc/29/99/10/325299910.db2.gz BXXSYKPPAZGBEV-OAHLLOKOSA-N 0 3 362.522 2.439 10 0 FEAEHN O=C(NCC1(N2CCSCC2)CCCCC1)N[C@H]1CCCC[C@H]1O ZINC000112217040 325761235 /nfs/dbraw/zinc/76/12/35/325761235.db2.gz KSCCILHKFUVKND-JKSUJKDBSA-N 0 3 355.548 2.341 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)N(C)Cc1cccc(F)c1)CC2 ZINC000112551990 325791275 /nfs/dbraw/zinc/79/12/75/325791275.db2.gz NUAPTSHRLWAGDT-YOEHRIQHSA-N 0 3 373.476 2.492 10 0 FEAEHN COC(=O)/C=C1/SCC(=O)N1CCCN1CCC[C@@H]1c1ccco1 ZINC000116297531 326004505 /nfs/dbraw/zinc/00/45/05/326004505.db2.gz WRQWQDMFARKKQP-KWWJGWKXSA-N 0 3 350.440 2.396 10 0 FEAEHN C[C@H](CNC(=O)N1CC[C@H](c2cnn(C)c2)C1)N(C)Cc1ccccc1 ZINC000116431781 326014308 /nfs/dbraw/zinc/01/43/08/326014308.db2.gz XKDYJXDJPSZLAN-AEFFLSMTSA-N 0 3 355.486 2.440 10 0 FEAEHN COCCn1c(C)c(C)c2cc(C(=O)N3CCO[C@@H](CN(C)C)C3)ccc21 ZINC000116790906 326035531 /nfs/dbraw/zinc/03/55/31/326035531.db2.gz BNSPBLDCIMQNIW-SFHVURJKSA-N 0 3 373.497 2.307 10 0 FEAEHN Cc1nc(C)n(C[C@H]2CCCN(C(=O)N[C@@H](CC(C)C)CN(C)C)C2)n1 ZINC000117034357 326048462 /nfs/dbraw/zinc/04/84/62/326048462.db2.gz ZDQZRMVBRUFWHE-ROUUACIJSA-N 0 3 364.538 2.293 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2ccc(Br)cc2F)CCO1 ZINC000118789859 326102622 /nfs/dbraw/zinc/10/26/22/326102622.db2.gz UUPZAPKGXHLEBJ-NSHDSACASA-N 0 3 360.227 2.383 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2ccccc2OCC(F)(F)F)CCO1 ZINC000118798457 326103322 /nfs/dbraw/zinc/10/33/22/326103322.db2.gz VUFQXQCSHUEHSH-LBPRGKRZSA-N 0 3 361.364 2.422 10 0 FEAEHN O=S(=O)(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000119498539 326169046 /nfs/dbraw/zinc/16/90/46/326169046.db2.gz QMQGKANFRPAYRH-HXUWFJFHSA-N 0 3 374.506 2.411 10 0 FEAEHN CCn1c(C)cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)c1C ZINC000119904013 326210855 /nfs/dbraw/zinc/21/08/55/326210855.db2.gz CRKQQTNEWWTWNC-IBGZPJMESA-N 0 3 355.482 2.274 10 0 FEAEHN CCOCCN1CCN(Cc2cn(C)nc2-c2cccnc2)C[C@H]1CC ZINC000120991878 326304641 /nfs/dbraw/zinc/30/46/41/326304641.db2.gz ZJMVFWNTYIIDKJ-LJQANCHMSA-N 0 3 357.502 2.415 10 0 FEAEHN CC[C@@H](O)CN1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000123503846 326433908 /nfs/dbraw/zinc/43/39/08/326433908.db2.gz OIUCQYMFTVRJPL-CQSZACIVSA-N 0 3 350.413 2.243 10 0 FEAEHN CCC[C@@H](C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1)N(C)C ZINC000127761652 326512196 /nfs/dbraw/zinc/51/21/96/326512196.db2.gz OMAGSBXMOQEDHS-INIZCTEOSA-N 0 3 369.868 2.494 10 0 FEAEHN CN(CC1CCN(c2ccncc2)CC1)C(=O)[C@H]1CCn2ccnc2C1 ZINC000130830012 326564099 /nfs/dbraw/zinc/56/40/99/326564099.db2.gz AFTRVLCWMCSERJ-KRWDZBQOSA-N 0 3 353.470 2.216 10 0 FEAEHN CC(C)CNC(=O)N1CCC[C@@H](C(=O)N[C@H](CC(C)C)CN(C)C)C1 ZINC000132017564 326585759 /nfs/dbraw/zinc/58/57/59/326585759.db2.gz LVXCZTVCSCCNLI-IAGOWNOFSA-N 0 3 354.539 2.157 10 0 FEAEHN CNc1cc(N2CCC[C@H]2CNCc2ccc(N3CCCC3)nc2)ncn1 ZINC000132214844 326588942 /nfs/dbraw/zinc/58/89/42/326588942.db2.gz MJCVUSWDHRKXKR-KRWDZBQOSA-N 0 3 367.501 2.272 10 0 FEAEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)[C@@H]1CCCCO1 ZINC000152540689 326710057 /nfs/dbraw/zinc/71/00/57/326710057.db2.gz UUGLKBYSYWOUSH-PMACEKPBSA-N 0 3 360.498 2.460 10 0 FEAEHN C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCO[C@H](CN(C)C)C1 ZINC000155340826 326785357 /nfs/dbraw/zinc/78/53/57/326785357.db2.gz IHDCBZHEPAAQLP-JJRVBVJISA-N 0 3 353.894 2.168 10 0 FEAEHN CCC[C@@H](C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1)N(C)C ZINC000161590477 327003594 /nfs/dbraw/zinc/00/35/94/327003594.db2.gz YPBHJBFLVBVDHA-FQEVSTJZSA-N 0 3 360.546 2.171 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000170865487 327103699 /nfs/dbraw/zinc/10/36/99/327103699.db2.gz ODIHAMBKTUNPSF-HNNXBMFYSA-N 0 3 363.259 2.411 10 0 FEAEHN COc1ccc(-c2noc(CCCC(=O)N3CC[C@@H](N(C)C)C3)n2)cc1 ZINC000170866483 327103967 /nfs/dbraw/zinc/10/39/67/327103967.db2.gz GTZSQOXOEPEXRS-OAHLLOKOSA-N 0 3 358.442 2.230 10 0 FEAEHN CCOc1ccc(-c2noc(CCC(=O)N3CC[C@@H](N(C)C)C3)n2)cc1 ZINC000170867406 327104102 /nfs/dbraw/zinc/10/41/02/327104102.db2.gz HCBGJWPLTCYNIU-OAHLLOKOSA-N 0 3 358.442 2.230 10 0 FEAEHN O=C(COc1ccccc1OCC(F)(F)F)N1CCN2CCC[C@H]2C1 ZINC000171299771 327130627 /nfs/dbraw/zinc/13/06/27/327130627.db2.gz LJMLARRMWHRVOL-ZDUSSCGKSA-N 0 3 358.360 2.313 10 0 FEAEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171349925 327134109 /nfs/dbraw/zinc/13/41/09/327134109.db2.gz DRVMQVPVBRSKRD-OALUTQOASA-N 0 3 355.486 2.440 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)C1 ZINC000171508320 327142978 /nfs/dbraw/zinc/14/29/78/327142978.db2.gz NLBKOKYZCVNXOX-GJZGRUSLSA-N 0 3 367.902 2.018 10 0 FEAEHN O=C(CCCN1CCN(c2ccccc2)CC1)N1CCN2CCCC[C@@H]2C1 ZINC000171857367 327165919 /nfs/dbraw/zinc/16/59/19/327165919.db2.gz CHSXJTMPNDBYGR-OAQYLSRUSA-N 0 3 370.541 2.286 10 0 FEAEHN CN(CCc1ccc(Cl)cc1)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000172079127 327179873 /nfs/dbraw/zinc/17/98/73/327179873.db2.gz MPKQYXPGMKWFRE-INIZCTEOSA-N 0 3 372.852 2.471 10 0 FEAEHN O=C1[C@H](N2CCN3CCC[C@@H]3C2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000172151187 327184043 /nfs/dbraw/zinc/18/40/43/327184043.db2.gz QVXGVQGUIAKLAX-GDBMZVCRSA-N 0 3 369.387 2.471 10 0 FEAEHN CN(C)[C@@H](CNC(=O)N1CCN2CCC[C@@H]2C1)c1c(F)cccc1F ZINC000172159567 327184715 /nfs/dbraw/zinc/18/47/15/327184715.db2.gz VTVYCDVCGPPYEP-CJNGLKHVSA-N 0 3 352.429 2.057 10 0 FEAEHN CN(C)C[C@@H](NC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1 ZINC000172986152 327228276 /nfs/dbraw/zinc/22/82/76/327228276.db2.gz KDWZHPYJRPAYNV-CQSZACIVSA-N 0 3 364.243 2.170 10 0 FEAEHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000173025595 327231149 /nfs/dbraw/zinc/23/11/49/327231149.db2.gz SMUPKIKQRNBEGO-ZDUSSCGKSA-N 0 3 354.451 2.020 10 0 FEAEHN C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000173580406 327268484 /nfs/dbraw/zinc/26/84/84/327268484.db2.gz WVSNIGODKLBQGB-OFQRWUPVSA-N 0 3 367.515 2.275 10 0 FEAEHN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000173600138 327270010 /nfs/dbraw/zinc/27/00/10/327270010.db2.gz WHKCNVUSJJLBRU-MSOLQXFVSA-N 0 3 351.466 2.365 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](NC(=O)c1oc3ccccc3c1CN(C)C)CC2 ZINC000173609838 327270748 /nfs/dbraw/zinc/27/07/48/327270748.db2.gz FYTYBAJIVTVTDR-ZDUSSCGKSA-N 0 3 367.453 2.393 10 0 FEAEHN CCN1CCN(c2ccc(C(=O)N3CCN4CCCC[C@@H]4C3)cc2)CC1 ZINC000173748813 327281131 /nfs/dbraw/zinc/28/11/31/327281131.db2.gz WMHQCBJMDPYULK-HXUWFJFHSA-N 0 3 356.514 2.139 10 0 FEAEHN CCN1CCCC[C@@H]1C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000174855445 327355425 /nfs/dbraw/zinc/35/54/25/327355425.db2.gz XOEQKVRDTDRSLG-RTWAWAEBSA-N 0 3 373.541 2.423 10 0 FEAEHN CC(C)N(C)C(=O)[C@H](C)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000175198311 327379386 /nfs/dbraw/zinc/37/93/86/327379386.db2.gz PDJHLOTZWOXORG-PMPSAXMXSA-N 0 3 353.532 2.355 10 0 FEAEHN COc1ccc(OC)c(-c2csc(NC(=O)C3(N)CCOCC3)n2)c1 ZINC000261897599 328827849 /nfs/dbraw/zinc/82/78/49/328827849.db2.gz REURGFGCSFXMIA-UHFFFAOYSA-N 0 3 363.439 2.274 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(CCc2ncc(-c3ccccc3F)o2)n1 ZINC000263135036 328918498 /nfs/dbraw/zinc/91/84/98/328918498.db2.gz BZBUZUVAOICGRK-CQSZACIVSA-N 0 3 357.389 2.225 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2nn(-c3ccccc3F)c3c2CCC3)n1 ZINC000263171316 328922138 /nfs/dbraw/zinc/92/21/38/328922138.db2.gz FTRDZTJMXQRBHR-MRXNPFEDSA-N 0 3 368.416 2.126 10 0 FEAEHN Cc1ccc(C(=O)N[C@H](c2nc([C@@H]3CNCCN3C)no2)C(C)C)cc1 ZINC000263191529 328923760 /nfs/dbraw/zinc/92/37/60/328923760.db2.gz HYEFMAPSPYZSJL-HOTGVXAUSA-N 0 3 357.458 2.081 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(Cc2csc(Cc3ccccc3)n2)n1 ZINC000263214462 328925752 /nfs/dbraw/zinc/92/57/52/328925752.db2.gz KRVYQELQHJKCTR-OAHLLOKOSA-N 0 3 355.467 2.284 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(CCc2ccc(OC(F)(F)F)cc2)n1 ZINC000263311351 328932048 /nfs/dbraw/zinc/93/20/48/328932048.db2.gz YSMBJDYQBJJXMH-CYBMUJFWSA-N 0 3 356.348 2.330 10 0 FEAEHN CN(c1cccnn1)C1CCN(C[C@@H](O)COCc2ccccc2F)CC1 ZINC000155055729 517940617 /nfs/dbraw/zinc/94/06/17/517940617.db2.gz ANRQDGKYHSKLLS-GOSISDBHSA-N 0 3 374.460 2.094 10 0 FEAEHN CCCc1cc(CNC(=O)c2ccc(N3CCCN(C)CC3)nc2)on1 ZINC000020455258 521364342 /nfs/dbraw/zinc/36/43/42/521364342.db2.gz FJOJRIWWXXPEQN-UHFFFAOYSA-N 0 3 357.458 2.094 10 0 FEAEHN C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000155425243 545525466 /nfs/dbraw/zinc/52/54/66/545525466.db2.gz UTCVJFMMNYVLRE-CJNGLKHVSA-N 0 3 369.303 2.417 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)CCO1 ZINC000155476403 545531186 /nfs/dbraw/zinc/53/11/86/545531186.db2.gz QFDXZZCUITYTHP-IEBWSBKVSA-N 0 3 372.444 2.282 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@H]1CCO[C@H](C2CC2)C1 ZINC000156823847 545666092 /nfs/dbraw/zinc/66/60/92/545666092.db2.gz YDOHEZGNKATDJB-WMZOPIPTSA-N 0 3 362.518 2.427 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(Br)cnc2N(C)C)C1 ZINC000158947287 545907205 /nfs/dbraw/zinc/90/72/05/545907205.db2.gz GHJZXQCYKQXDHF-RISCZKNCSA-N 0 3 369.307 2.369 10 0 FEAEHN CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CCCN2CC(C)C)C1 ZINC000159441928 545953953 /nfs/dbraw/zinc/95/39/53/545953953.db2.gz RGHUPQYKSLMACU-CJOFEGAYSA-N 0 3 357.564 2.486 10 0 FEAEHN COC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000170737628 546174623 /nfs/dbraw/zinc/17/46/23/546174623.db2.gz KSUOGMPVUDOGHR-DLBZAZTESA-N 0 3 362.445 2.449 10 0 FEAEHN CCc1noc(-c2ccc(CCNC(=O)N3CC[C@H](N(C)C)C3)cc2)n1 ZINC000170837044 546179880 /nfs/dbraw/zinc/17/98/80/546179880.db2.gz FXRSLZMFSRBFGC-INIZCTEOSA-N 0 3 357.458 2.187 10 0 FEAEHN COC(=O)[C@@H]1CCCN(C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000171062737 546188894 /nfs/dbraw/zinc/18/88/94/546188894.db2.gz QEMKSGMEIJGVDK-OCCSQVGLSA-N 0 3 372.259 2.074 10 0 FEAEHN Cc1ccc(CN(CCN(C)C)C(=O)N[C@H]2CCCn3nc(C)nc32)o1 ZINC000175885437 546366547 /nfs/dbraw/zinc/36/65/47/546366547.db2.gz YCERYIJNZXMIJY-INIZCTEOSA-N 0 3 360.462 2.096 10 0 FEAEHN CCN1CCN(C[C@H](C)CNC(=O)Nc2ccc(-c3ncon3)cc2)CC1 ZINC000175966891 546381937 /nfs/dbraw/zinc/38/19/37/546381937.db2.gz GXSPRBJAYWOADB-OAHLLOKOSA-N 0 3 372.473 2.132 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccccc1CN1CCOCC1 ZINC000176314192 546430665 /nfs/dbraw/zinc/43/06/65/546430665.db2.gz IKGSOIOPPMFWJF-SFHVURJKSA-N 0 3 360.502 2.467 10 0 FEAEHN CCc1ccc([C@@H](CNC(=O)N[C@@H]2CCCn3ncnc32)N(C)C)cc1 ZINC000176351397 546435275 /nfs/dbraw/zinc/43/52/75/546435275.db2.gz RNALDZCEILBQSM-IAGOWNOFSA-N 0 3 356.474 2.278 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc2ccc(C)nc21 ZINC000176893985 546502973 /nfs/dbraw/zinc/50/29/73/546502973.db2.gz WSWQGVYKPXNOEI-INIZCTEOSA-N 0 3 354.454 2.424 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc2nc(OC)ccc2c1 ZINC000176902555 546505040 /nfs/dbraw/zinc/50/50/40/546505040.db2.gz GKGVYDRXSVXZEH-INIZCTEOSA-N 0 3 370.453 2.125 10 0 FEAEHN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000177316820 546593296 /nfs/dbraw/zinc/59/32/96/546593296.db2.gz UBKCWHCMJUCZBW-HNNXBMFYSA-N 0 3 360.458 2.099 10 0 FEAEHN O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N[C@@H]1CCCn2ncnc21 ZINC000177331312 546597163 /nfs/dbraw/zinc/59/71/63/546597163.db2.gz LOYXEOHULZRCPF-ZWKOTPCHSA-N 0 3 368.485 2.467 10 0 FEAEHN CCN(CC)CC(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000177466024 546625180 /nfs/dbraw/zinc/62/51/80/546625180.db2.gz UDTIELUSULTKHN-FQEVSTJZSA-N 0 3 361.530 2.232 10 0 FEAEHN O=C(Nc1ccc(F)c(C(F)(F)F)c1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177696118 546668954 /nfs/dbraw/zinc/66/89/54/546668954.db2.gz IZQYFRFJVOOUGG-NSHDSACASA-N 0 3 359.323 2.090 10 0 FEAEHN COc1ccc(CN(C)C(=O)CN2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000178334234 546777303 /nfs/dbraw/zinc/77/73/03/546777303.db2.gz BFALCHQAVYXDQF-SFHVURJKSA-N 0 3 356.470 2.323 10 0 FEAEHN Cn1cc([C@H]2CCCN2CCOCCN2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000178636559 546824328 /nfs/dbraw/zinc/82/43/28/546824328.db2.gz OIOAINICHHRUMY-BGYRXZFFSA-N 0 3 372.517 2.144 10 0 FEAEHN COC(=O)[C@H](c1cccc(Br)c1)N1CCN2CCC[C@@H]2C1 ZINC000179659303 546994045 /nfs/dbraw/zinc/99/40/45/546994045.db2.gz JFEAZNTZBMTQFR-CABCVRRESA-N 0 3 353.260 2.443 10 0 FEAEHN C[C@@H](CC(=O)Nc1ccc(Br)cc1)NC[C@@H]1CN(C)CCO1 ZINC000180491565 547117756 /nfs/dbraw/zinc/11/77/56/547117756.db2.gz KZHQQMOAPXHXNQ-SWLSCSKDSA-N 0 3 370.291 2.086 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(-n3cnnn3)cc1)CC2 ZINC000180638321 547147921 /nfs/dbraw/zinc/14/79/21/547147921.db2.gz WUAYGENEECKUTE-DZGCQCFKSA-N 0 3 352.446 2.043 10 0 FEAEHN COc1ccc(F)c(NC(=O)C(=O)N[C@@H](C)CN(C)Cc2ccccc2)c1 ZINC000180894154 547204023 /nfs/dbraw/zinc/20/40/23/547204023.db2.gz XMICVSNSDAKGSK-AWEZNQCLSA-N 0 3 373.428 2.410 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H]1c1nncn1C ZINC000181047148 547238716 /nfs/dbraw/zinc/23/87/16/547238716.db2.gz WMVGPLUFKAWCJA-DOTOQJQBSA-N 0 3 356.474 2.182 10 0 FEAEHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000181061688 547241827 /nfs/dbraw/zinc/24/18/27/547241827.db2.gz MWWJLJBPYRPMNM-AEFFLSMTSA-N 0 3 356.474 2.145 10 0 FEAEHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000181692516 547361732 /nfs/dbraw/zinc/36/17/32/547361732.db2.gz JRJYFBHHDHDHMI-SMDDNHRTSA-N 0 3 358.408 2.472 10 0 FEAEHN CC1(C(=O)N2CC[C@@H](N3CCOCC3)C2)CCN(Cc2ccccc2)CC1 ZINC000182141193 547443547 /nfs/dbraw/zinc/44/35/47/547443547.db2.gz OYOCVOXGYVCESP-HXUWFJFHSA-N 0 3 371.525 2.222 10 0 FEAEHN CCc1cnccc1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000182544649 547510548 /nfs/dbraw/zinc/51/05/48/547510548.db2.gz FMBWWDHRSGYUMF-UHFFFAOYSA-N 0 3 353.470 2.063 10 0 FEAEHN O=C(CCCCNC(=O)N1CCN2CCC[C@H]2C1)OCc1ccccc1 ZINC000182925715 547573347 /nfs/dbraw/zinc/57/33/47/547573347.db2.gz QMGRXRANIXICSR-SFHVURJKSA-N 0 3 359.470 2.390 10 0 FEAEHN C[C@@H](COCc1ccccc1)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000183219192 547623168 /nfs/dbraw/zinc/62/31/68/547623168.db2.gz HTRPWAFOZCRLBW-INIZCTEOSA-N 0 3 357.454 2.357 10 0 FEAEHN CCOC(=O)c1cn(C)nc1NC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000184019511 547755096 /nfs/dbraw/zinc/75/50/96/547755096.db2.gz NQNDJNGINDSXDT-AWEZNQCLSA-N 0 3 373.457 2.239 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)CSc1nnc2ccccn21 ZINC000184218758 547788829 /nfs/dbraw/zinc/78/88/29/547788829.db2.gz QOXVYKSUZFBTFK-HNNXBMFYSA-N 0 3 369.494 2.458 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)C1 ZINC000185215082 547953137 /nfs/dbraw/zinc/95/31/37/547953137.db2.gz YLNYKWKICUOVST-SFHVURJKSA-N 0 3 363.477 2.389 10 0 FEAEHN COCCC1(CNC(=O)NC[C@H](O)CN2CCCCC2)CCCCC1 ZINC000186298848 548115057 /nfs/dbraw/zinc/11/50/57/548115057.db2.gz OWARJJSFZIQZDB-KRWDZBQOSA-N 0 3 355.523 2.119 10 0 FEAEHN CCO[C@H]1C[C@@H](NCc2nc(COc3ccccc3)n[nH]2)C12CCOCC2 ZINC000186424771 548132768 /nfs/dbraw/zinc/13/27/68/548132768.db2.gz YTLPRNFRTDIOQD-SJORKVTESA-N 0 3 372.469 2.448 10 0 FEAEHN CCN1CCN(c2ccccc2NC(=O)N[C@H]2CCCN(CC)C2)CC1 ZINC000194325669 548466263 /nfs/dbraw/zinc/46/62/63/548466263.db2.gz OOTIXOYSNMXBDX-KRWDZBQOSA-N 0 3 359.518 2.434 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)C1 ZINC000194334012 548467836 /nfs/dbraw/zinc/46/78/36/548467836.db2.gz JESUJOBIBBVKBZ-IRXDYDNUSA-N 0 3 360.458 2.410 10 0 FEAEHN CN(Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000194844662 548540436 /nfs/dbraw/zinc/54/04/36/548540436.db2.gz HIWATZMCJBXYGT-OAQYLSRUSA-N 0 3 367.493 2.379 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2ncccn2)C1 ZINC000195251726 548603406 /nfs/dbraw/zinc/60/34/06/548603406.db2.gz OXKNHKOPMRTLOK-GJZGRUSLSA-N 0 3 374.514 2.022 10 0 FEAEHN O=C(Cn1c2ccccc2nc1-c1cscn1)N1CCN2CCC[C@@H]2C1 ZINC000195317778 548620791 /nfs/dbraw/zinc/62/07/91/548620791.db2.gz BPZQEUMRDDVLNG-CQSZACIVSA-N 0 3 367.478 2.466 10 0 FEAEHN O=C(CN1CCC(c2ccn[nH]2)CC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000195507223 548651816 /nfs/dbraw/zinc/65/18/16/548651816.db2.gz SHUOOYDKWZYIFV-KRWDZBQOSA-N 0 3 367.497 2.232 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)C1 ZINC000245387978 548903657 /nfs/dbraw/zinc/90/36/57/548903657.db2.gz BDDXVEVSEWPJDZ-WBVHZDCISA-N 0 3 352.523 2.053 10 0 FEAEHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)c1nnc2n1CCCC2 ZINC000245690072 548976137 /nfs/dbraw/zinc/97/61/37/548976137.db2.gz WWDORFXRRBQGHK-ZVZYQTTQSA-N 0 3 368.485 2.420 10 0 FEAEHN CN1CC[C@H](NC(=O)N2CCN3CCC[C@H]3C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000245765960 548992254 /nfs/dbraw/zinc/99/22/54/548992254.db2.gz JJGGPZXPBOCRHI-WBAXXEDZSA-N 0 3 364.440 2.200 10 0 FEAEHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000245844414 549002706 /nfs/dbraw/zinc/00/27/06/549002706.db2.gz KUVQZBADDAGAKB-HZPDHXFCSA-N 0 3 370.501 2.495 10 0 FEAEHN COC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000246141827 549061589 /nfs/dbraw/zinc/06/15/89/549061589.db2.gz CHWLWZXACZRGLL-GVDBMIGSSA-N 0 3 368.437 2.078 10 0 FEAEHN CCC(CC)[C@@H](CNC(=O)N1CCN2CCCC[C@H]2C1)N1CCOCC1 ZINC000246419319 549129957 /nfs/dbraw/zinc/12/99/57/549129957.db2.gz LVZNQCHNEFADQK-RBUKOAKNSA-N 0 3 366.550 2.003 10 0 FEAEHN CCCN1Cc2cccc(NC(=O)C(=O)N[C@@H]3CN(C(C)C)C[C@H]3C)c2C1 ZINC000246550381 549159408 /nfs/dbraw/zinc/15/94/08/549159408.db2.gz WAFQFQBIAMQLQN-DNVCBOLYSA-N 0 3 372.513 2.196 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(OC3CCCC3)nc2)C1 ZINC000246577119 549166942 /nfs/dbraw/zinc/16/69/42/549166942.db2.gz XWPFOLVSWUUJHG-RHSMWYFYSA-N 0 3 374.485 2.186 10 0 FEAEHN C[C@@H]1CN(C[C@@H](O)COc2ccc3ccccc3c2)C[C@@H]1N1CCOCC1 ZINC000246619802 549176730 /nfs/dbraw/zinc/17/67/30/549176730.db2.gz YQYBWSJMOOLLJB-ZNLUXHQJSA-N 0 3 370.493 2.232 10 0 FEAEHN Cc1coc(-c2cccc(NC(=O)C(=O)N[C@H]3CN(C(C)C)C[C@H]3C)c2)n1 ZINC000246644450 549181294 /nfs/dbraw/zinc/18/12/94/549181294.db2.gz PACRFCDVRAIHOC-DYVFJYSZSA-N 0 3 370.453 2.433 10 0 FEAEHN CCOc1ccc(NC(=O)CCN2CCN(C[C@H](C)O)[C@@H](CC)C2)cc1 ZINC000246746187 549203103 /nfs/dbraw/zinc/20/31/03/549203103.db2.gz GYUALVUHGDDGMJ-WMZOPIPTSA-N 0 3 363.502 2.191 10 0 FEAEHN C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCN2CCC[C@H]2C1 ZINC000246784341 549211104 /nfs/dbraw/zinc/21/11/04/549211104.db2.gz ZLGUVFFLYGIWLO-BDAKNGLRSA-N 0 3 363.330 2.489 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000246914724 549240662 /nfs/dbraw/zinc/24/06/62/549240662.db2.gz YLRGCDLIWYVWEN-APWZRJJASA-N 0 3 355.482 2.234 10 0 FEAEHN O=C(C[C@@H]1CCCN1C[C@@H](O)COC1CCOCC1)c1ccc(F)cc1 ZINC000246994444 549259801 /nfs/dbraw/zinc/25/98/01/549259801.db2.gz WPXPFHGTSUKYGY-ZWKOTPCHSA-N 0 3 365.445 2.419 10 0 FEAEHN CC[C@@H]1CN(Cc2ccc3oc(C(=O)OC)cc3c2)CCN1C[C@H](C)O ZINC000247055214 549274080 /nfs/dbraw/zinc/27/40/80/549274080.db2.gz VYACAQFWEARAHO-WMLDXEAASA-N 0 3 360.454 2.496 10 0 FEAEHN CC[C@@H]1CN(C[C@@H](O)COc2c(C)cccc2C)CCN1CCOC ZINC000247809444 549383016 /nfs/dbraw/zinc/38/30/16/549383016.db2.gz UJLNGYULZJGNDT-RTBURBONSA-N 0 3 350.503 2.086 10 0 FEAEHN CC(=O)Nc1ccc(OC[C@H](O)CN2CCC[C@H](n3cc(C)cn3)C2)cc1 ZINC000247815021 549384533 /nfs/dbraw/zinc/38/45/33/549384533.db2.gz VZOLOIUFFUEMSJ-RBUKOAKNSA-N 0 3 372.469 2.227 10 0 FEAEHN CN1CCC(NC(=O)N2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)CC1 ZINC000248556203 549457854 /nfs/dbraw/zinc/45/78/54/549457854.db2.gz IFCFAKULZWPEFT-NUEKZKHPSA-N 0 3 366.506 2.025 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN([C@@H](C(N)=O)c2ccccc2)C1 ZINC000248661780 549479693 /nfs/dbraw/zinc/47/96/93/549479693.db2.gz XONNSVMMQXJCAZ-CRAIPNDOSA-N 0 3 358.511 2.432 10 0 FEAEHN CC(=O)N[C@@H]1CCCN(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000248923073 549527772 /nfs/dbraw/zinc/52/77/72/549527772.db2.gz FKZCYHFQEWUSKV-WOJBJXKFSA-N 0 3 374.529 2.453 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1CC(F)(F)F ZINC000249107043 549553407 /nfs/dbraw/zinc/55/34/07/549553407.db2.gz AAQOFUKSGFODRJ-OCCSQVGLSA-N 0 3 369.387 2.425 10 0 FEAEHN Cc1ncc(-c2ccc(NC(=O)C(=O)N3C[C@@H]4CCCN4C[C@H]3C)cc2)o1 ZINC000249175274 549564832 /nfs/dbraw/zinc/56/48/32/549564832.db2.gz MATVFIGLVRKIEX-DYVFJYSZSA-N 0 3 368.437 2.284 10 0 FEAEHN CCOC(=O)[C@](C)(CNC(=O)N[C@H]1CCCN(CC)C1)c1ccccc1 ZINC000249261827 549574387 /nfs/dbraw/zinc/57/43/87/549574387.db2.gz HZPOUOLXUQCGCF-FXAWDEMLSA-N 0 3 361.486 2.291 10 0 FEAEHN CCN1CCCC[C@@H]1CNC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000252006606 549660990 /nfs/dbraw/zinc/66/09/90/549660990.db2.gz XVBUPAIBPGQBCA-BBWFWOEESA-N 0 3 351.516 2.340 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000261749003 549751716 /nfs/dbraw/zinc/75/17/16/549751716.db2.gz MOHZPGMWENTQQZ-PVUWLOKVSA-N 0 3 366.303 2.318 10 0 FEAEHN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)C2(N)CCOCC2)C1 ZINC000261878805 549764883 /nfs/dbraw/zinc/76/48/83/549764883.db2.gz PADPJUXUXWJOOA-AWEZNQCLSA-N 0 3 351.878 2.099 10 0 FEAEHN CCCC(=O)Nc1nc2ccc(NC(=O)C3(N)CCOCC3)cc2s1 ZINC000261912010 549768447 /nfs/dbraw/zinc/76/84/47/549768447.db2.gz TXSNECPJNYXUGU-UHFFFAOYSA-N 0 3 362.455 2.481 10 0 FEAEHN NC1(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)CCOCC1 ZINC000261916454 549769573 /nfs/dbraw/zinc/76/95/73/549769573.db2.gz UMENSAZTODUXBV-UHFFFAOYSA-N 0 3 371.412 2.453 10 0 FEAEHN Cc1noc(CSc2ccccc2-c2nc([C@H]3CNCCN3C)no2)n1 ZINC000263286991 549892660 /nfs/dbraw/zinc/89/26/60/549892660.db2.gz VEDUNLQPCNQCBT-CYBMUJFWSA-N 0 3 372.454 2.296 10 0 FEAEHN CN1CCNC[C@H]1c1noc(CCc2ccc(OC(F)(F)F)cc2)n1 ZINC000263311352 549894353 /nfs/dbraw/zinc/89/43/53/549894353.db2.gz YSMBJDYQBJJXMH-ZDUSSCGKSA-N 0 3 356.348 2.330 10 0 FEAEHN CCOC(=O)C1CCC(NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)CC1 ZINC000263524484 549907273 /nfs/dbraw/zinc/90/72/73/549907273.db2.gz SQMCUFFJRGPHOU-UHFFFAOYSA-N 0 3 352.475 2.026 10 0 FEAEHN CCOC(=O)C1CCC(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)CC1 ZINC000263524484 549907277 /nfs/dbraw/zinc/90/72/77/549907277.db2.gz SQMCUFFJRGPHOU-UHFFFAOYSA-N 0 3 352.475 2.026 10 0 FEAEHN CCOC(=O)C1CCC([NH2+]C2CC(N(CC(=O)[O-])CC3CC3)C2)CC1 ZINC000263524484 549907281 /nfs/dbraw/zinc/90/72/81/549907281.db2.gz SQMCUFFJRGPHOU-UHFFFAOYSA-N 0 3 352.475 2.026 10 0 FEAEHN C[C@H](CN[C@@H](C)c1cccc(S(N)(=O)=O)c1)N(C)C(=O)OC(C)(C)C ZINC000283464561 551370457 /nfs/dbraw/zinc/37/04/57/551370457.db2.gz VUCMAPJIPZURBR-OLZOCXBDSA-N 0 3 371.503 2.240 10 0 FEAEHN Cn1nccc1[C@H]1[C@H](NCCOc2ccc(F)cc2)CC(=O)N1C1CC1 ZINC000500423525 561572525 /nfs/dbraw/zinc/57/25/25/561572525.db2.gz JWFYBJHALLPSFU-VQIMIIECSA-N 0 3 358.417 2.032 10 0 FEAEHN CC[C@@H]1CN(Cn2c(=O)sc3c2CC[C@@H](C)C3)CCN1CCOC ZINC000117323741 670914759 /nfs/dbraw/zinc/91/47/59/670914759.db2.gz MOUFMJDBSTUIMK-HUUCEWRRSA-N 0 3 353.532 2.035 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)C1 ZINC000119831674 671909889 /nfs/dbraw/zinc/90/98/89/671909889.db2.gz KYUHQIWJTMBBGF-CABCVRRESA-N 0 3 354.495 2.073 10 0 FEAEHN CN(Cc1ccc(I)cc1)C[C@@H]1CN(C)CCO1 ZINC000610368976 675968135 /nfs/dbraw/zinc/96/81/35/675968135.db2.gz KJHVOLLXJPOHQS-AWEZNQCLSA-N 0 3 360.239 2.054 10 0 FEAEHN CC(C)(C)OC(=O)NC[C@H]1CCCN1C[C@H](O)COc1ccccc1 ZINC000174237120 672359095 /nfs/dbraw/zinc/35/90/95/672359095.db2.gz RUINVAVEXGSMRE-CVEARBPZSA-N 0 3 350.459 2.415 10 0 FEAEHN COC(=O)[C@@H]1CCCN(C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000181699612 672429593 /nfs/dbraw/zinc/42/95/93/672429593.db2.gz QFGFWSXYUFBXTE-OLZOCXBDSA-N 0 3 361.360 2.330 10 0 FEAEHN CCN1CCC[C@H](NC(=O)CCc2ccc(OC)c(OC)c2OC)C1 ZINC000194665197 672765236 /nfs/dbraw/zinc/76/52/36/672765236.db2.gz HDNLZCDTSFMQFM-HNNXBMFYSA-N 0 3 350.459 2.246 10 0 FEAEHN CC[C@@H](O)CN1CCN(C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195169688 672777688 /nfs/dbraw/zinc/77/76/88/672777688.db2.gz VZPOJTMYKGLQFU-VQIMIIECSA-N 0 3 355.523 2.022 10 0 FEAEHN COc1ccc(F)cc1CNC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702766445 673058717 /nfs/dbraw/zinc/05/87/17/673058717.db2.gz VUGBVBQDCYJPPF-UKRRQHHQSA-N 0 3 354.422 2.152 10 0 FEAEHN COc1ncc(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](OC)C2)cc1Cl ZINC000888076798 688544471 /nfs/dbraw/zinc/54/44/71/688544471.db2.gz FDOHQHVHENYCQT-CFVMTHIKSA-N 0 3 353.850 2.115 10 0 FEAEHN N[C@@H]1CCCCN(Cc2nc(Cc3cccc(Cl)c3F)no2)C1=O ZINC000888078407 688545281 /nfs/dbraw/zinc/54/52/81/688545281.db2.gz ORRXUZKGXXWITA-GFCCVEGCSA-N 0 3 352.797 2.293 10 0 FEAEHN COc1cc(Cl)ccc1-c1noc(CN2CCCC[C@@H](N)C2=O)n1 ZINC000888078331 688545345 /nfs/dbraw/zinc/54/53/45/688545345.db2.gz JZTBSTPPULYQBC-GFCCVEGCSA-N 0 3 350.806 2.238 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)Nc1cccc(N2CCCCC2=O)c1 ZINC000044304404 540123412 /nfs/dbraw/zinc/12/34/12/540123412.db2.gz VIGVBPUQIUQEFX-SFHVURJKSA-N 0 3 374.485 2.172 10 0 FEAEHN CN(C)C[C@@H](NC(=O)NCCNC(=O)c1cccs1)c1ccccc1 ZINC000045185386 540206072 /nfs/dbraw/zinc/20/60/72/540206072.db2.gz KMCHPKPUKMYQNS-OAHLLOKOSA-N 0 3 360.483 2.080 10 0 FEAEHN CN(C)C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1 ZINC000052852890 540494497 /nfs/dbraw/zinc/49/44/97/540494497.db2.gz KPFODUDHZQSVCD-SJLPKXTDSA-N 0 3 355.438 2.047 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)C1 ZINC000062499423 541150534 /nfs/dbraw/zinc/15/05/34/541150534.db2.gz VFJVPHYAWNRGJM-SFHVURJKSA-N 0 3 364.534 2.341 10 0 FEAEHN C[C@@H](NC(=O)N1CC[C@@H](N2CCCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000066177418 541286980 /nfs/dbraw/zinc/28/69/80/541286980.db2.gz TUHYDFIVJDLATO-GDBMZVCRSA-N 0 3 365.499 2.031 10 0 FEAEHN CN(Cc1csc(Br)c1)S(=O)(=O)C[C@@H]1CCCCN1 ZINC000042366344 209256498 /nfs/dbraw/zinc/25/64/98/209256498.db2.gz MEXZIZNYSSTEMB-NSHDSACASA-N 0 3 367.334 2.414 10 0 FEAEHN NCc1cc(I)ccc1I ZINC000098095782 209206755 /nfs/dbraw/zinc/20/67/55/209206755.db2.gz AXRIFXGNDXPSIA-UHFFFAOYSA-N 0 3 358.948 2.355 10 0 FEAEHN O=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccccc1CN1CCCC1 ZINC000041972082 208288582 /nfs/dbraw/zinc/28/85/82/208288582.db2.gz CSNPQGDRPOWXDP-UHFFFAOYSA-N 0 3 362.437 2.439 10 0 FEAEHN CSC[C@@H](CCO)NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000077798825 542422020 /nfs/dbraw/zinc/42/20/20/542422020.db2.gz PQICFNQRPMEYCK-MSOLQXFVSA-N 0 3 365.543 2.454 10 0 FEAEHN O=C1C(=O)N(Cc2cccc(Cl)c2)c2cccc(N3CCNCC3)c21 ZINC000034884397 132378027 /nfs/dbraw/zinc/37/80/27/132378027.db2.gz FFRBUVWYYDMDBD-UHFFFAOYSA-N 0 3 355.825 2.479 10 0 FEAEHN Cc1ccc(N2CCCN(Cc3cn(C)nc3-c3cccnc3)CC2)nn1 ZINC000093271735 542922780 /nfs/dbraw/zinc/92/27/80/542922780.db2.gz NEAYAJKCUSQYAA-UHFFFAOYSA-N 0 3 363.469 2.293 10 0 FEAEHN C[C@@H]1Oc2c(cccc2C(=O)N[C@H](CN(C)C)c2ccccc2)NC1=O ZINC000104216814 543126069 /nfs/dbraw/zinc/12/60/69/543126069.db2.gz FWSSLRYWKVSMAG-SUMWQHHRSA-N 0 3 353.422 2.439 10 0 FEAEHN CC(=O)N[C@H]1CCCN(CCCCCn2nnc(-c3ccccc3)n2)C1 ZINC000104674636 543136774 /nfs/dbraw/zinc/13/67/74/543136774.db2.gz NDIHVSIPWVFWEU-SFHVURJKSA-N 0 3 356.474 2.111 10 0 FEAEHN Cc1cccc(C)c1OC[C@H](O)CN1CCCN(c2cccnn2)CC1 ZINC000106069860 543187858 /nfs/dbraw/zinc/18/78/58/543187858.db2.gz UDRTUPIOJCKENN-GOSISDBHSA-N 0 3 356.470 2.045 10 0 FEAEHN Cc1ccc(N2CCCN(CCCOc3ccc4c(c3)OCO4)CC2)nn1 ZINC000106071909 543188806 /nfs/dbraw/zinc/18/88/06/543188806.db2.gz UEILUZDWFXYDCN-UHFFFAOYSA-N 0 3 370.453 2.495 10 0 FEAEHN CCOCCN1CCN(CCC(=O)N2CCc3sccc3C2)C[C@@H]1C ZINC000106110480 543199649 /nfs/dbraw/zinc/19/96/49/543199649.db2.gz FDCANFFFJCOKNB-INIZCTEOSA-N 0 3 365.543 2.066 10 0 FEAEHN O[C@H](COc1ccc(Cl)cc1)CN1CCC(Nc2cccnn2)CC1 ZINC000106081159 543192387 /nfs/dbraw/zinc/19/23/87/543192387.db2.gz IMJUYJMXEYCVBN-INIZCTEOSA-N 0 3 362.861 2.446 10 0 FEAEHN CCn1cc(CN2CCCN(Cc3ccc(C(=O)OC)cc3)CC2)cn1 ZINC000106158296 543210061 /nfs/dbraw/zinc/21/00/61/543210061.db2.gz DEDXEODQSYKCHD-UHFFFAOYSA-N 0 3 356.470 2.398 10 0 FEAEHN CC[C@H]1CN(C[C@H](O)COCc2ccc(Cl)cc2)CCN1CCOC ZINC000106113202 543201106 /nfs/dbraw/zinc/20/11/06/543201106.db2.gz UUEOZNXZAWVYDJ-OALUTQOASA-N 0 3 370.921 2.260 10 0 FEAEHN CCOCCN1CCN(CCC(=O)N2CCc3ccccc32)C[C@@H]1CC ZINC000106117671 543202347 /nfs/dbraw/zinc/20/23/47/543202347.db2.gz FEVFRRQPQHBFKB-IBGZPJMESA-N 0 3 359.514 2.399 10 0 FEAEHN CCc1nccn1[C@H]1CCCN(Cc2nn3c(nc(C)cc3=O)s2)C1 ZINC000106215452 543218229 /nfs/dbraw/zinc/21/82/29/543218229.db2.gz FLKVWUIKDQRZGV-ZDUSSCGKSA-N 0 3 358.471 2.055 10 0 FEAEHN Cc1ccc(CNC(=O)[C@@H](C)N[C@@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000112551334 543451967 /nfs/dbraw/zinc/45/19/67/543451967.db2.gz NWXMZMUSMPFATB-NVXWUHKLSA-N 0 3 355.486 2.319 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000113226048 543477935 /nfs/dbraw/zinc/47/79/35/543477935.db2.gz WLETWNXIFJFQQZ-YVWKXTFCSA-N 0 3 355.482 2.435 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(Br)cc1 ZINC000247460223 549336200 /nfs/dbraw/zinc/33/62/00/549336200.db2.gz QTIWUOFHLPCBIP-AAEUAGOBSA-N 0 3 359.289 2.306 10 0 FEAEHN Cc1noc(C)c1C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000115157406 543553280 /nfs/dbraw/zinc/55/32/80/543553280.db2.gz BJZIBTDQLCPWMW-GOSISDBHSA-N 0 3 357.454 2.467 10 0 FEAEHN CCCCS(=O)(=O)N1CCC(N)(C(=O)Nc2ccc(CC)cc2)CC1 ZINC000115335732 543560967 /nfs/dbraw/zinc/56/09/67/543560967.db2.gz ILHLNLKPGCSEMA-UHFFFAOYSA-N 0 3 367.515 2.111 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NCC2(c3ccc(Cl)cc3)CC2)CCO1 ZINC000117044592 543621801 /nfs/dbraw/zinc/62/18/01/543621801.db2.gz BGDRVTFVIBNNHP-INIZCTEOSA-N 0 3 351.878 2.344 10 0 FEAEHN COC(=O)[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000123266029 543751923 /nfs/dbraw/zinc/75/19/23/543751923.db2.gz WNGCOSRTGVGTQW-CQSZACIVSA-N 0 3 357.410 2.233 10 0 FEAEHN Cc1nccn1-c1ccc([C@@H](C)NC(=O)N2CCO[C@@H](CN(C)C)C2)cc1 ZINC000123308030 543753997 /nfs/dbraw/zinc/75/39/97/543753997.db2.gz FVGKEHHTONUZIG-BEFAXECRSA-N 0 3 371.485 2.214 10 0 FEAEHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000123318461 543754695 /nfs/dbraw/zinc/75/46/95/543754695.db2.gz TVDNNBUYDVWYHV-UWJYYQICSA-N 0 3 373.497 2.149 10 0 FEAEHN COc1cc(C(=O)N(C)C)ccc1NC(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000125416553 543880403 /nfs/dbraw/zinc/88/04/03/543880403.db2.gz LDNCQHPNJGDRJW-CJNGLKHVSA-N 0 3 362.474 2.247 10 0 FEAEHN Cc1cc(=O)c(C(=O)N[C@@H](CC(C)C)CN(C)C)nn1-c1ccccc1 ZINC000128911898 544080324 /nfs/dbraw/zinc/08/03/24/544080324.db2.gz LMDVEJWSMIYUNI-INIZCTEOSA-N 0 3 356.470 2.247 10 0 FEAEHN CCN1CCN(c2ccc(C(=O)N3C[C@@H]4CCCN4C[C@H]3C)cc2F)CC1 ZINC000247493237 549344271 /nfs/dbraw/zinc/34/42/71/549344271.db2.gz UKLZJEMYSPZMAL-AEFFLSMTSA-N 0 3 374.504 2.276 10 0 FEAEHN CS(=O)(=O)c1ccccc1NC1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000132946622 544249209 /nfs/dbraw/zinc/24/92/09/544249209.db2.gz ZJAKNXCJULGKBV-IRXDYDNUSA-N 0 3 352.500 2.270 10 0 FEAEHN CCC[C@@H](C(=O)NCCNC(=O)c1ccc(Br)cc1)N(C)C ZINC000137735262 544392585 /nfs/dbraw/zinc/39/25/85/544392585.db2.gz LZLPSWZWNRTDNJ-AWEZNQCLSA-N 0 3 370.291 2.025 10 0 FEAEHN CN1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000139176157 544400899 /nfs/dbraw/zinc/40/08/99/544400899.db2.gz FKTCSYFRPABSEL-DDNHJUOSSA-N 0 3 373.541 2.404 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(SC(F)F)nc1 ZINC000136517526 544373852 /nfs/dbraw/zinc/37/38/52/544373852.db2.gz HZQTTYKXCQFOLQ-LBPRGKRZSA-N 0 3 372.441 2.278 10 0 FEAEHN CCOc1cc(Cl)ccc1CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000152168921 544621057 /nfs/dbraw/zinc/62/10/57/544621057.db2.gz WYIYLCVZSVCIHO-HNNXBMFYSA-N 0 3 355.866 2.211 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000247521745 549350400 /nfs/dbraw/zinc/35/04/00/549350400.db2.gz WTXPZWCKDDFMAX-TYILLQQXSA-N 0 3 357.479 2.311 10 0 FEAEHN CN(CCNC(=O)N1CCC(Nc2cccnn2)CC1)Cc1ccccc1 ZINC000154012771 544852780 /nfs/dbraw/zinc/85/27/80/544852780.db2.gz SZUUSJUQLUXGAI-UHFFFAOYSA-N 0 3 368.485 2.195 10 0 FEAEHN CN(C[C@H](O)COCc1ccccc1F)[C@@H]1CCCN(c2cccnn2)C1 ZINC000155043207 544980953 /nfs/dbraw/zinc/98/09/53/544980953.db2.gz AAFHODWCNZJNAK-MSOLQXFVSA-N 0 3 374.460 2.094 10 0 FEAEHN COc1ccccc1COC[C@@H](O)CN1CCC[C@H](n2cc(C)cn2)C1 ZINC000155238228 545005123 /nfs/dbraw/zinc/00/51/23/545005123.db2.gz HSSBAODMWZRXRA-OALUTQOASA-N 0 3 359.470 2.415 10 0 FEAEHN Cc1cc(C(=O)N2CCO[C@@H](CN(C)C)C2)nn1-c1ccccc1Cl ZINC000180552270 327690521 /nfs/dbraw/zinc/69/05/21/327690521.db2.gz UMBCXQDKGKKOBG-AWEZNQCLSA-N 0 3 362.861 2.237 10 0 FEAEHN CCOC(=O)c1cc(F)cc(S(=O)(=O)NC[C@H](C)N(CC)CC)c1 ZINC000180579445 327691882 /nfs/dbraw/zinc/69/18/82/327691882.db2.gz NXHKRSGNBHRGRO-LBPRGKRZSA-N 0 3 360.451 2.011 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(-n2cccn2)ccc1C ZINC000187842192 328050074 /nfs/dbraw/zinc/05/00/74/328050074.db2.gz DSNRBBWTTQFLRR-QGZVFWFLSA-N 0 3 369.469 2.062 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cc(N2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000188766440 328109623 /nfs/dbraw/zinc/10/96/23/328109623.db2.gz CXXAKKASQVOLLJ-BBWFWOEESA-N 0 3 362.518 2.401 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000189002030 328122755 /nfs/dbraw/zinc/12/27/55/328122755.db2.gz KHPHFCDQWCGTOL-WMLDXEAASA-N 0 3 361.490 2.029 10 0 FEAEHN CCOCCN1CCN(CCC(=O)N2CCc3ccccc3C2)C[C@H]1CC ZINC000189010129 328123251 /nfs/dbraw/zinc/12/32/51/328123251.db2.gz MEJUKZBPAPVIKV-OAQYLSRUSA-N 0 3 373.541 2.394 10 0 FEAEHN CN(C[C@@H](O)CC(F)(F)F)C[C@@H](c1cccs1)N1CCOCC1 ZINC000189200484 328134395 /nfs/dbraw/zinc/13/43/95/328134395.db2.gz WPLDNZWVWCKYGS-STQMWFEESA-N 0 3 352.422 2.367 10 0 FEAEHN Cc1ccc(-n2cc(NC(=O)N3CCO[C@@H](CN(C)C)C3)cn2)c(C)c1 ZINC000189615501 328158100 /nfs/dbraw/zinc/15/81/00/328158100.db2.gz WWXWUXPRJDSXMH-KRWDZBQOSA-N 0 3 357.458 2.283 10 0 FEAEHN C[C@@H]1CN(CCC2CCN(C(=O)c3cnn4ccncc34)CC2)C[C@H](C)O1 ZINC000189904899 328175217 /nfs/dbraw/zinc/17/52/17/328175217.db2.gz GXBNRLUYJVAXSV-IYBDPMFKSA-N 0 3 371.485 2.081 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c2cccnc12 ZINC000190078927 328186489 /nfs/dbraw/zinc/18/64/89/328186489.db2.gz VSVFTZLVVJTNSS-LSDHHAIUSA-N 0 3 352.438 2.177 10 0 FEAEHN CCCN1Cc2cccc(NC(=O)C(=O)N3C[C@@H]4CCCN4C[C@@H]3C)c2C1 ZINC000190075489 328186124 /nfs/dbraw/zinc/18/61/24/328186124.db2.gz LAPXUYRBTYBWPR-RDJZCZTQSA-N 0 3 370.497 2.046 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C2CCCCC2)nn1C ZINC000190085887 328187024 /nfs/dbraw/zinc/18/70/24/328187024.db2.gz GMJNJZXMPVXVHJ-GOEBONIOSA-N 0 3 373.501 2.101 10 0 FEAEHN CSc1c(F)cc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1F ZINC000190086648 328187226 /nfs/dbraw/zinc/18/72/26/328187226.db2.gz XLVRLDBYEBXLCD-ZYHUDNBSSA-N 0 3 369.437 2.320 10 0 FEAEHN CC(C)n1ncc2ccc(NC(=O)C(=O)N3C[C@H]4CCCN4C[C@@H]3C)cc21 ZINC000190093835 328187709 /nfs/dbraw/zinc/18/77/09/328187709.db2.gz POCYFEKBBRCUJX-WMLDXEAASA-N 0 3 369.469 2.251 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000190343911 328201488 /nfs/dbraw/zinc/20/14/88/328201488.db2.gz OIPKZINIZNIZFW-LSDHHAIUSA-N 0 3 356.426 2.160 10 0 FEAEHN Cc1ccc(CNC(=O)N2CCN3CCC[C@H]3C2)c(-n2cc(Cl)cn2)n1 ZINC000190416516 328206393 /nfs/dbraw/zinc/20/63/93/328206393.db2.gz UCEAEWWTMCTAGE-INIZCTEOSA-N 0 3 374.876 2.219 10 0 FEAEHN COC[C@H](C)CNC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000190715290 328227085 /nfs/dbraw/zinc/22/70/85/328227085.db2.gz BFRCBYIVDSWLCE-UKRRQHHQSA-N 0 3 354.520 2.197 10 0 FEAEHN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000191637352 328275121 /nfs/dbraw/zinc/27/51/21/328275121.db2.gz DLRIQXUXCSXAMO-CRAIPNDOSA-N 0 3 359.470 2.266 10 0 FEAEHN CCOc1ccc(C(=O)NCC(=O)N[C@@H](CN(C)C)c2ccccc2)cc1 ZINC000007817166 324359258 /nfs/dbraw/zinc/35/92/58/324359258.db2.gz XVEKAXXJFTWDOZ-IBGZPJMESA-N 0 3 369.465 2.234 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000236962748 328499666 /nfs/dbraw/zinc/49/96/66/328499666.db2.gz YUIOYXXWZGLWJK-YMTOWFKASA-N 0 3 356.264 2.186 10 0 FEAEHN COc1ccc(C(=O)N[C@H](C(=O)NC[C@H](N)c2ccccc2)C(C)C)cc1 ZINC000237144492 328506416 /nfs/dbraw/zinc/50/64/16/328506416.db2.gz WUNRIYYBYFJRIY-OALUTQOASA-N 0 3 369.465 2.266 10 0 FEAEHN C[C@H](NC(=O)NC1CCN(CCN(C)C)CC1)c1ccc(F)c(F)c1 ZINC000079006453 325071495 /nfs/dbraw/zinc/07/14/95/325071495.db2.gz VZCNRXOXJCVNEG-ZDUSSCGKSA-N 0 3 354.445 2.351 10 0 FEAEHN CC(=O)N[C@H]1CCCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000079167187 325080415 /nfs/dbraw/zinc/08/04/15/325080415.db2.gz VGEJVBNIUZIZEV-FQEVSTJZSA-N 0 3 372.513 2.004 10 0 FEAEHN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000083711002 325222704 /nfs/dbraw/zinc/22/27/04/325222704.db2.gz DAFGTNFKXWDNSQ-MSOLQXFVSA-N 0 3 368.485 2.385 10 0 FEAEHN Cc1cc2ncc([C@H](C)N[C@@H]3CCCN(c4cccnn4)C3)c(C)n2n1 ZINC000089733372 325328920 /nfs/dbraw/zinc/32/89/20/325328920.db2.gz VDIBCHUTIKSQEW-GOEBONIOSA-N 0 3 351.458 2.456 10 0 FEAEHN Cc1cc2ncc([C@@H](C)N[C@H]3CCCN(c4cccnn4)C3)c(C)n2n1 ZINC000089733373 325329051 /nfs/dbraw/zinc/32/90/51/325329051.db2.gz VDIBCHUTIKSQEW-ZBFHGGJFSA-N 0 3 351.458 2.456 10 0 FEAEHN CN(C(=O)NCCc1cccc(F)c1)C1CCN(CCn2cccn2)CC1 ZINC000109392602 325666818 /nfs/dbraw/zinc/66/68/18/325666818.db2.gz CYDWQONVLMYHDV-UHFFFAOYSA-N 0 3 373.476 2.371 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)N[C@@H]1CCc2ncnn2C1)c1ccsc1 ZINC000112742931 325804145 /nfs/dbraw/zinc/80/41/45/325804145.db2.gz BUAPGMNDSPXPQZ-HUUCEWRRSA-N 0 3 362.503 2.037 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245675508 328565494 /nfs/dbraw/zinc/56/54/94/328565494.db2.gz SZLWCSDOFDHVCZ-IIYDPXPESA-N 0 3 367.852 2.161 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)CSc2nc3ccccc3s2)CCO1 ZINC000116784720 326035038 /nfs/dbraw/zinc/03/50/38/326035038.db2.gz GZTXJXIHQGQVFU-LBPRGKRZSA-N 0 3 351.497 2.177 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CCO1 ZINC000116784034 326035314 /nfs/dbraw/zinc/03/53/14/326035314.db2.gz FAZRQIZXHVIAPR-LJQANCHMSA-N 0 3 367.449 2.342 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)CSc2nc3ccccc3s2)CCO1 ZINC000116784718 326035342 /nfs/dbraw/zinc/03/53/42/326035342.db2.gz GZTXJXIHQGQVFU-GFCCVEGCSA-N 0 3 351.497 2.177 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2ccc(F)cc2Br)CCO1 ZINC000118804819 326103830 /nfs/dbraw/zinc/10/38/30/326103830.db2.gz NNWDTXUMVYYDHI-LLVKDONJSA-N 0 3 360.227 2.383 10 0 FEAEHN CC[C@H]1CN(Cc2cn(-c3ccc(Cl)cc3)nn2)CCN1C[C@@H](C)O ZINC000118979444 326115336 /nfs/dbraw/zinc/11/53/36/326115336.db2.gz KXGIDHQWUBCADH-PBHICJAKSA-N 0 3 363.893 2.198 10 0 FEAEHN CCc1ccc([C@@H](C)NCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000120441093 326259133 /nfs/dbraw/zinc/25/91/33/326259133.db2.gz HGHBLKTUAIAGQD-CYBMUJFWSA-N 0 3 361.467 2.186 10 0 FEAEHN CCN(C(=O)[C@H](C)N[C@@H](C)c1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000121050974 326309395 /nfs/dbraw/zinc/30/93/95/326309395.db2.gz LWSKMJBMUBMWPS-HRCADAONSA-N 0 3 352.500 2.070 10 0 FEAEHN COc1ccccc1/C=C/CN1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000121050372 326309607 /nfs/dbraw/zinc/30/96/07/326309607.db2.gz OUJIEBJJEAZLJT-PVHVJQTOSA-N 0 3 373.541 2.435 10 0 FEAEHN CCCCNC(=O)C1CCN(C(=O)N[C@H](CC(C)C)CN(C)C)CC1 ZINC000121608170 326351328 /nfs/dbraw/zinc/35/13/28/326351328.db2.gz HLFDBNZVYAGDAP-QGZVFWFLSA-N 0 3 354.539 2.301 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NCCOc2ncccc2C(F)(F)F)C1 ZINC000122088848 326383429 /nfs/dbraw/zinc/38/34/29/326383429.db2.gz XZRJCNXZASVRPJ-LBPRGKRZSA-N 0 3 360.380 2.263 10 0 FEAEHN C[C@@H](NC(=O)c1ccco1)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000124089831 326447591 /nfs/dbraw/zinc/44/75/91/326447591.db2.gz XMTKNJLOYJYBGW-CQSZACIVSA-N 0 3 359.426 2.114 10 0 FEAEHN COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@H]2C[NH3+])cc1Cl ZINC000124511015 326455306 /nfs/dbraw/zinc/45/53/06/326455306.db2.gz PYBIKQNHEOFFBR-KWQFWETISA-N 0 3 353.271 2.408 10 0 FEAEHN CCC[C@@H](C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1)N(C)C ZINC000134902545 326633357 /nfs/dbraw/zinc/63/33/57/326633357.db2.gz IDOLXQXWEJDZRD-INIZCTEOSA-N 0 3 351.878 2.355 10 0 FEAEHN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccccc1OCCN(C)C ZINC000151110079 326675031 /nfs/dbraw/zinc/67/50/31/326675031.db2.gz JJZRBNQOYJXROR-OAHLLOKOSA-N 0 3 357.458 2.046 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cc(N2CCNC2=O)ccc1F ZINC000157185170 326857403 /nfs/dbraw/zinc/85/74/03/326857403.db2.gz QBUKWUQKRULTFL-CYBMUJFWSA-N 0 3 350.438 2.061 10 0 FEAEHN CCC[C@@H]([NH3+])C(=O)Nc1cc(S(=O)(=O)[N-]C(C)(C)C)c(F)cc1F ZINC000161528328 327001943 /nfs/dbraw/zinc/00/19/43/327001943.db2.gz CMSYVNPBNCEUOQ-LLVKDONJSA-N 0 3 363.430 2.108 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)C1 ZINC000170857266 327102853 /nfs/dbraw/zinc/10/28/53/327102853.db2.gz DSEMAIHZAXJGME-RTBURBONSA-N 0 3 351.450 2.320 10 0 FEAEHN COC(=O)[C@H]1CCCN(C[C@H](O)COc2cccc(Br)c2)C1 ZINC000171059425 327114965 /nfs/dbraw/zinc/11/49/65/327114965.db2.gz PHCHEZYBCPTKIL-JSGCOSHPSA-N 0 3 372.259 2.074 10 0 FEAEHN CCOCCCNC(=O)c1cccc(NC(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000171078299 327116084 /nfs/dbraw/zinc/11/60/84/327116084.db2.gz BJNSPMGBRDCCJB-KRWDZBQOSA-N 0 3 362.474 2.011 10 0 FEAEHN Cc1nc(C[C@H]2CCCN(C(=O)c3ccccc3OCCN(C)C)C2)no1 ZINC000171334841 327132777 /nfs/dbraw/zinc/13/27/77/327132777.db2.gz RHBAPDTXLVLHCE-MRXNPFEDSA-N 0 3 372.469 2.413 10 0 FEAEHN COC(=O)c1cccc(OCCN2CCC[C@H](Cc3noc(C)n3)C2)c1 ZINC000171402827 327137168 /nfs/dbraw/zinc/13/71/68/327137168.db2.gz SLLPARVPJKWOPO-OAHLLOKOSA-N 0 3 359.426 2.498 10 0 FEAEHN Cc1c(C(=O)N2CCN3CCC[C@H]3C2)nnn1-c1cccc2cccnc21 ZINC000171744883 327158576 /nfs/dbraw/zinc/15/85/76/327158576.db2.gz ZSTZRTYPJGBSJO-INIZCTEOSA-N 0 3 362.437 2.044 10 0 FEAEHN COc1ccc([C@H](CNC(=O)N2CCN3CCC[C@@H]3C2)N2CCCC2)cc1 ZINC000171896331 327168001 /nfs/dbraw/zinc/16/80/01/327168001.db2.gz VAPFZODQEBEKDY-QUCCMNQESA-N 0 3 372.513 2.322 10 0 FEAEHN O=C(NCc1cccnc1OCC(F)(F)F)N1CCN2CCC[C@H]2C1 ZINC000171900497 327168836 /nfs/dbraw/zinc/16/88/36/327168836.db2.gz CRFHKCSIVLAALA-ZDUSSCGKSA-N 0 3 358.364 2.012 10 0 FEAEHN C[C@H](NC(=O)N1CCN2CCC[C@@H]2C1)c1ccc(N2CCCC2=O)cc1 ZINC000171904799 327169422 /nfs/dbraw/zinc/16/94/22/327169422.db2.gz LMDFRIRIJLKAIJ-MAUKXSAKSA-N 0 3 356.470 2.364 10 0 FEAEHN CN(C(=O)[C@H]1COc2ccccc2C1)C1CCN(CCn2cccn2)CC1 ZINC000171934632 327171269 /nfs/dbraw/zinc/17/12/69/327171269.db2.gz DXSCFJXPGWPQDK-GOSISDBHSA-N 0 3 368.481 2.057 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NCCOc2ccc(C(C)(C)C)cc2)CCO1 ZINC000172116754 327181771 /nfs/dbraw/zinc/18/17/71/327181771.db2.gz QJTUOGPPPYXBHD-GOSISDBHSA-N 0 3 363.502 2.335 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)N[C@H](c2nccs2)c2ccccc2)CCO1 ZINC000172133811 327182860 /nfs/dbraw/zinc/18/28/60/327182860.db2.gz RODWBPWABSTCIJ-CVEARBPZSA-N 0 3 360.483 2.205 10 0 FEAEHN Cc1nc(C)n(C[C@@H]2CCCN(CCn3cnc4ccccc4c3=O)C2)n1 ZINC000172247870 327190118 /nfs/dbraw/zinc/19/01/18/327190118.db2.gz TVGXRMXIYJKHIW-QGZVFWFLSA-N 0 3 366.469 2.017 10 0 FEAEHN CN(C)C[C@H](NC(=O)Nc1ccc(OCCC(N)=O)cc1)c1ccccc1 ZINC000173135565 327237062 /nfs/dbraw/zinc/23/70/62/327237062.db2.gz LCIWYGCEQZUZRX-SFHVURJKSA-N 0 3 370.453 2.365 10 0 FEAEHN O=C(NCCc1ccn(-c2ccc(F)cc2)n1)N1CCN2CCC[C@@H]2C1 ZINC000173511089 327262526 /nfs/dbraw/zinc/26/25/26/327262526.db2.gz QXAHKTCCAJAYTC-GOSISDBHSA-N 0 3 357.433 2.044 10 0 FEAEHN O=C(c1ncoc1-c1ccc2c(c1)OCCO2)N1CCN2CCC[C@H]2C1 ZINC000173574727 327267855 /nfs/dbraw/zinc/26/78/55/327267855.db2.gz WHHVZHORPDBARH-AWEZNQCLSA-N 0 3 355.394 2.033 10 0 FEAEHN CCN(CC)C(=O)[C@H](C)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000173646327 327273260 /nfs/dbraw/zinc/27/32/60/327273260.db2.gz IXVOXROXYWRSJN-HOTGVXAUSA-N 0 3 353.532 2.276 10 0 FEAEHN CC(C)CNC(=O)[C@H](C)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000173647055 327273692 /nfs/dbraw/zinc/27/36/92/327273692.db2.gz DWCVAFGQRGAUMQ-PMPSAXMXSA-N 0 3 353.532 2.260 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000173913181 327293887 /nfs/dbraw/zinc/29/38/87/327293887.db2.gz IRMLSIPWOREYEX-DZGCQCFKSA-N 0 3 364.877 2.181 10 0 FEAEHN O=C(NCc1ccncc1)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000174018653 327301912 /nfs/dbraw/zinc/30/19/12/327301912.db2.gz NOYRPLBZDBCCBE-FQEVSTJZSA-N 0 3 368.481 2.326 10 0 FEAEHN Cc1nccn1CCCCNCc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000174454003 327327748 /nfs/dbraw/zinc/32/77/48/327327748.db2.gz FDJYJCABBFRPLM-UHFFFAOYSA-N 0 3 374.533 2.455 10 0 FEAEHN Cc1cc(CNC(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)on1 ZINC000174452407 327327816 /nfs/dbraw/zinc/32/78/16/327327816.db2.gz PRGXXKJIPLGHGN-LJQANCHMSA-N 0 3 372.469 2.228 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)C1 ZINC000174584215 327336223 /nfs/dbraw/zinc/33/62/23/327336223.db2.gz WMKMCIVYTSLWKX-QGZVFWFLSA-N 0 3 373.497 2.211 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1nnn(-c2ccc(OC)cc2)c1C ZINC000175013879 327368095 /nfs/dbraw/zinc/36/80/95/327368095.db2.gz AUPGEOPRNSZLKF-NVXWUHKLSA-N 0 3 369.469 2.283 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CNC[C@H](CO)c1ccccc1 ZINC000175050337 327371013 /nfs/dbraw/zinc/37/10/13/327371013.db2.gz YGZNNFYHCLXOSK-GOSISDBHSA-N 0 3 372.513 2.246 10 0 FEAEHN CC[C@@H](CNC(=O)NC[C@H](O)CN1CCCCC1)Oc1ccccc1F ZINC000175962893 327424788 /nfs/dbraw/zinc/42/47/88/327424788.db2.gz OPTCEFYROSJADN-HOTGVXAUSA-N 0 3 367.465 2.129 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000176237377 327443148 /nfs/dbraw/zinc/44/31/48/327443148.db2.gz VGEWYOJJERXEBN-INIZCTEOSA-N 0 3 359.470 2.237 10 0 FEAEHN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)C1(N)CCOCC1 ZINC000261755875 328817139 /nfs/dbraw/zinc/81/71/39/328817139.db2.gz FOKVLEJNLJYMHO-UHFFFAOYSA-N 0 3 356.470 2.264 10 0 FEAEHN NC1(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)CCOCC1 ZINC000261849571 328824280 /nfs/dbraw/zinc/82/42/80/328824280.db2.gz MGXRSQJQNUIZOT-UHFFFAOYSA-N 0 3 355.442 2.118 10 0 FEAEHN NC1(C(=O)NCC2(c3ccccc3Cl)CCOCC2)CCOCC1 ZINC000261897499 328827770 /nfs/dbraw/zinc/82/77/70/328827770.db2.gz RCTKQLJDXYNMFG-UHFFFAOYSA-N 0 3 352.862 2.012 10 0 FEAEHN CN(C(=O)c1ccco1)c1ccccc1-c1nc([C@@H]2CNCCN2C)no1 ZINC000263236110 328927306 /nfs/dbraw/zinc/92/73/06/328927306.db2.gz OAWAPLJRAHYSBY-HNNXBMFYSA-N 0 3 367.409 2.182 10 0 FEAEHN COc1ccc(Br)cc1Cc1nc([C@H]2CNCCN2C)no1 ZINC000263238912 328927484 /nfs/dbraw/zinc/92/74/84/328927484.db2.gz OIMUDCULZPNLCJ-GFCCVEGCSA-N 0 3 367.247 2.008 10 0 FEAEHN CN(C)C[C@@H]1CN(CC(=O)Nc2ccccc2SC(F)F)CCO1 ZINC000155299476 545507420 /nfs/dbraw/zinc/50/74/20/545507420.db2.gz XPAWNRLYFDXRPT-GFCCVEGCSA-N 0 3 359.442 2.202 10 0 FEAEHN C[C@H](NC(=O)CN1CCO[C@H](CN(C)C)C1)c1ccc(Cl)c(Cl)c1 ZINC000155298749 545507655 /nfs/dbraw/zinc/50/76/55/545507655.db2.gz LBSJPSRXFJEPBU-GXTWGEPZSA-N 0 3 374.312 2.433 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](NC(=O)NC[C@@H](C)N1CCC(C)CC1)CC2 ZINC000157921187 545800045 /nfs/dbraw/zinc/80/00/45/545800045.db2.gz YSEOJRVTDVXCNB-HZPDHXFCSA-N 0 3 362.522 2.136 10 0 FEAEHN CCN1CCC[C@@H]1CNC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000175368835 546309810 /nfs/dbraw/zinc/30/98/10/546309810.db2.gz GIFTXDGYRVUKLF-OAHLLOKOSA-N 0 3 357.458 2.144 10 0 FEAEHN Cc1cc(O)cc(=O)n1CC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000176790976 546489039 /nfs/dbraw/zinc/48/90/39/546489039.db2.gz DLQBZQPMPCPECG-GOSISDBHSA-N 0 3 369.465 2.033 10 0 FEAEHN C[C@H](O)CN1CCC(CN(C)C(=O)CCC(=O)c2cccs2)CC1 ZINC000176884192 546500359 /nfs/dbraw/zinc/50/03/59/546500359.db2.gz PBJWLZGHLFJIMR-AWEZNQCLSA-N 0 3 352.500 2.262 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(C)c(OC(F)F)c1 ZINC000176902634 546504839 /nfs/dbraw/zinc/50/48/39/546504839.db2.gz VMMGVVAPMXCSKJ-AWEZNQCLSA-N 0 3 369.412 2.478 10 0 FEAEHN CCCS(=O)(=O)Nc1ccc(C(=O)N(C)C[C@@H]2CCCN2CC)cc1 ZINC000176981179 546517911 /nfs/dbraw/zinc/51/79/11/546517911.db2.gz XOKPHKZUCNBDFW-KRWDZBQOSA-N 0 3 367.515 2.395 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)CNC(=O)NCc1ccc(Cl)cc1 ZINC000176992421 546519677 /nfs/dbraw/zinc/51/96/77/546519677.db2.gz MTNAZTOZTUNUTP-INIZCTEOSA-N 0 3 366.893 2.082 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 ZINC000177001341 546521397 /nfs/dbraw/zinc/52/13/97/546521397.db2.gz KPJOPOVQVJZJEN-MOPGFXCFSA-N 0 3 357.498 2.163 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 ZINC000177001361 546521415 /nfs/dbraw/zinc/52/14/15/546521415.db2.gz KPJOPOVQVJZJEN-OALUTQOASA-N 0 3 357.498 2.163 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O ZINC000177017505 546524331 /nfs/dbraw/zinc/52/43/31/546524331.db2.gz ULWQMPSHKWWFOD-OAHLLOKOSA-N 0 3 372.444 2.236 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C[C@@H]1c2ccccc2CCN1C(C)=O ZINC000177018719 546525803 /nfs/dbraw/zinc/52/58/03/546525803.db2.gz XLJQGNFMJCHMQL-UYAOXDASSA-N 0 3 357.498 2.465 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CCNC(=O)N1CCc2ccccc2C1 ZINC000177044242 546530530 /nfs/dbraw/zinc/53/05/30/546530530.db2.gz DHJUYJYOZOLQEZ-LJQANCHMSA-N 0 3 372.513 2.087 10 0 FEAEHN CC[C@@H](O)CN1CCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000177083503 546541904 /nfs/dbraw/zinc/54/19/04/546541904.db2.gz GCHDONKCUXWLOJ-MRXNPFEDSA-N 0 3 373.419 2.423 10 0 FEAEHN Cc1cc(C)n(-c2ccccc2CNC(=O)N2CCN3CCC[C@@H]3C2)n1 ZINC000177640461 546658845 /nfs/dbraw/zinc/65/88/45/546658845.db2.gz CDVXVJNMRUEHDX-GOSISDBHSA-N 0 3 353.470 2.479 10 0 FEAEHN O=C(c1ccc(F)c(I)c1)N1CCN2CCC[C@H]2C1 ZINC000178231718 546761245 /nfs/dbraw/zinc/76/12/45/546761245.db2.gz HMAMYVDPCKIZHB-NSHDSACASA-N 0 3 374.197 2.351 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1CC(=O)N(C)CCOc1ccccc1F ZINC000178325627 546775640 /nfs/dbraw/zinc/77/56/40/546775640.db2.gz JCXGPVALYOEMHS-QGZVFWFLSA-N 0 3 374.460 2.332 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2c(F)cc(Cl)cc2F)C1 ZINC000180152333 547059010 /nfs/dbraw/zinc/05/90/10/547059010.db2.gz PQHWNFDDCQCVMZ-RNCFNFMXSA-N 0 3 359.804 2.402 10 0 FEAEHN CC(=O)NC[C@H]1CCCN(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)C1 ZINC000181060421 547241103 /nfs/dbraw/zinc/24/11/03/547241103.db2.gz KJZLIOCKBOCFNG-QFBILLFUSA-N 0 3 360.502 2.065 10 0 FEAEHN CC(C)c1nnc2n1C[C@H](NC(=O)N[C@H](CN(C)C)c1ccccc1)CC2 ZINC000181414624 547309949 /nfs/dbraw/zinc/30/99/49/547309949.db2.gz PIISSIMDOYQMEN-IAGOWNOFSA-N 0 3 370.501 2.318 10 0 FEAEHN CN(C)C[C@H]1CN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CCO1 ZINC000182149279 547444750 /nfs/dbraw/zinc/44/47/50/547444750.db2.gz LYQNJEFMNJOFGY-AWEZNQCLSA-N 0 3 370.284 2.337 10 0 FEAEHN COC(=O)COc1ccccc1[C@H](C)N[C@H]1CCCN(c2cccnn2)C1 ZINC000183771226 547717234 /nfs/dbraw/zinc/71/72/34/547717234.db2.gz ZNQSRKWOAVOYPN-HOTGVXAUSA-N 0 3 370.453 2.348 10 0 FEAEHN O=C(NC[C@@H](O)CN1CCCCC1)N[C@H]1CCCOc2c(F)cccc21 ZINC000183826306 547725831 /nfs/dbraw/zinc/72/58/31/547725831.db2.gz BFJXNVHMMVLHDS-PBHICJAKSA-N 0 3 365.449 2.185 10 0 FEAEHN COCc1c(C(=O)N2C[C@H]3CCCN3C[C@H]2C)cnn1-c1ccccc1 ZINC000185559623 548002106 /nfs/dbraw/zinc/00/21/06/548002106.db2.gz WNXKHVAAZNEXMI-NVXWUHKLSA-N 0 3 354.454 2.327 10 0 FEAEHN CC(C)c1nnc2n1C[C@@H](N[C@@H](Cc1ccc(Cl)cc1)C(N)=O)CC2 ZINC000185912585 548058227 /nfs/dbraw/zinc/05/82/27/548058227.db2.gz YYUWTSNSISODLJ-GJZGRUSLSA-N 0 3 361.877 2.056 10 0 FEAEHN OCCOCCCN[C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186389412 548128247 /nfs/dbraw/zinc/12/82/47/548128247.db2.gz LKYVIRJOVDOYOV-INIZCTEOSA-N 0 3 366.259 2.317 10 0 FEAEHN CC(C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)Cc1nccn1C(F)F ZINC000193290834 548384029 /nfs/dbraw/zinc/38/40/29/548384029.db2.gz HMRRBYXITQKZHF-NWDGAFQWSA-N 0 3 371.409 2.459 10 0 FEAEHN Cc1c(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)nnn1Cc1ccc(F)cc1 ZINC000194677575 548514374 /nfs/dbraw/zinc/51/43/74/548514374.db2.gz VVYGRYBOOKDWPQ-GUYCJALGSA-N 0 3 359.449 2.232 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(N2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000194792768 548532516 /nfs/dbraw/zinc/53/25/16/548532516.db2.gz UFPIVQFFYNQIPV-JZXOWHBKSA-N 0 3 360.502 2.252 10 0 FEAEHN O=C(OCc1ccccc1)N1CCC(C(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000195332778 548626212 /nfs/dbraw/zinc/62/62/12/548626212.db2.gz XODASGOPENAFNL-IBGZPJMESA-N 0 3 371.481 2.342 10 0 FEAEHN COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC(c3ccn[nH]3)CC2)c1 ZINC000195505878 548651707 /nfs/dbraw/zinc/65/17/07/548651707.db2.gz WXKXJPLKIWFDIS-AWEZNQCLSA-N 0 3 372.469 2.484 10 0 FEAEHN O=C(CN1CCC(c2ccn[nH]2)CC1)Nc1cccc(N2CCCC2=O)c1 ZINC000195505390 548652511 /nfs/dbraw/zinc/65/25/11/548652511.db2.gz FRGGKNPUHBSHIV-UHFFFAOYSA-N 0 3 367.453 2.355 10 0 FEAEHN Brc1cn2ccnc2c(Nc2ccc(N3CCNCC3)cn2)n1 ZINC000219964875 548697566 /nfs/dbraw/zinc/69/75/66/548697566.db2.gz DYVTWJRTPFCQHO-UHFFFAOYSA-N 0 3 374.246 2.040 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC000245429707 548917351 /nfs/dbraw/zinc/91/73/51/548917351.db2.gz KWXXHNHLEISSIW-PKOBYXMFSA-N 0 3 361.486 2.205 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000245437774 548920494 /nfs/dbraw/zinc/92/04/94/548920494.db2.gz WZCKCWASHSXQIC-JFIYKMOQSA-N 0 3 360.502 2.252 10 0 FEAEHN CC[C@H]1CN(C(=O)c2oc3ccccc3c2CN(C)C)CCN1C[C@H](C)O ZINC000245443476 548923231 /nfs/dbraw/zinc/92/32/31/548923231.db2.gz XFZYQWIQNMAXKQ-HOTGVXAUSA-N 0 3 373.497 2.412 10 0 FEAEHN O=C(CN1CCN2CCC[C@H]2C1)Nc1c(F)cc(F)cc1Br ZINC000245484998 548933271 /nfs/dbraw/zinc/93/32/71/548933271.db2.gz IMYAMVYBNGMBMF-NSHDSACASA-N 0 3 374.229 2.446 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245564108 548948118 /nfs/dbraw/zinc/94/81/18/548948118.db2.gz DEWYMTKLNKRTOW-MUJYYYPQSA-N 0 3 350.507 2.426 10 0 FEAEHN COCc1nnc(-c2cccc(C(=O)N[C@@H]3CN(C(C)C)C[C@H]3C)c2)o1 ZINC000245604617 548956125 /nfs/dbraw/zinc/95/61/25/548956125.db2.gz HJDHBGOWXNVUPU-CZUORRHYSA-N 0 3 358.442 2.342 10 0 FEAEHN C[C@H](N[C@H]1CCc2ncnn2C1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000245924375 549019636 /nfs/dbraw/zinc/01/96/36/549019636.db2.gz NOCJVDVQZIHWGN-YDHLFZDLSA-N 0 3 353.426 2.195 10 0 FEAEHN Cc1ccc(N2CCCN(C[C@@H](O)COCc3ccccc3F)CC2)nn1 ZINC000246191175 549073030 /nfs/dbraw/zinc/07/30/30/549073030.db2.gz OANOOJWSGLDOKH-GOSISDBHSA-N 0 3 374.460 2.014 10 0 FEAEHN COc1cc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)ccc1OC(F)F ZINC000246223166 549082719 /nfs/dbraw/zinc/08/27/19/549082719.db2.gz ZZWFOUYPAWLIIY-DZGCQCFKSA-N 0 3 356.413 2.449 10 0 FEAEHN CCOC(=O)Cc1csc(NC(=O)N[C@H]2CN(C(C)C)C[C@H]2C)n1 ZINC000246228678 549084764 /nfs/dbraw/zinc/08/47/64/549084764.db2.gz MJAXMUKPKBEEPN-YPMHNXCESA-N 0 3 354.476 2.099 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2OCC(F)F)C1 ZINC000246258961 549090912 /nfs/dbraw/zinc/09/09/12/549090912.db2.gz PQYUFAMNZFDERU-GXTWGEPZSA-N 0 3 369.412 2.114 10 0 FEAEHN CC[C@@H]1CN(C[C@@H](O)Cc2ccccc2C(F)(F)F)CCN1C[C@H](C)O ZINC000246316329 549103721 /nfs/dbraw/zinc/10/37/21/549103721.db2.gz XUQGDCJJIOKLBJ-UAGQMJEPSA-N 0 3 374.447 2.386 10 0 FEAEHN COC(=O)C[C@H]1CCCN1C[C@@H](O)COc1cccc(Br)c1 ZINC000246481187 549142720 /nfs/dbraw/zinc/14/27/20/549142720.db2.gz GOFPAQDDSWTBNK-ZIAGYGMSSA-N 0 3 372.259 2.216 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2OCC2CC2)C1 ZINC000246561853 549162563 /nfs/dbraw/zinc/16/25/63/549162563.db2.gz WTULYXOUOBGPCV-RHSMWYFYSA-N 0 3 359.470 2.259 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc3cnn(C(C)C)c3c2)C1 ZINC000246602073 549172911 /nfs/dbraw/zinc/17/29/11/549172911.db2.gz ZRDTTZYECABRBK-RHSMWYFYSA-N 0 3 371.485 2.401 10 0 FEAEHN COc1cc(-c2noc(CN3CCN4CCC[C@H]4C3)n2)cc(OC)c1OC ZINC000246847786 549227692 /nfs/dbraw/zinc/22/76/92/549227692.db2.gz KRJZVLCVQOFJDY-AWEZNQCLSA-N 0 3 374.441 2.042 10 0 FEAEHN CC[C@@H]1CN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)CCN1C[C@H](C)O ZINC000246886634 549234858 /nfs/dbraw/zinc/23/48/58/549234858.db2.gz OVPOLQIWRWYGDF-DOTOQJQBSA-N 0 3 356.470 2.302 10 0 FEAEHN CC(=O)c1cccc(OC[C@H](O)CN2CCC[C@H]2Cn2ccnc2C)c1 ZINC000247199358 549298455 /nfs/dbraw/zinc/29/84/55/549298455.db2.gz WYXXBJRICZDXAJ-RBUKOAKNSA-N 0 3 357.454 2.298 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NC[C@H](c2c(F)cccc2F)N(C)C)C1 ZINC000247269267 549310128 /nfs/dbraw/zinc/31/01/28/549310128.db2.gz RBMMXZACLGFXOV-CZUORRHYSA-N 0 3 354.445 2.351 10 0 FEAEHN CC[C@@H]1CN(CCC(=O)NCc2ccccc2Cl)CCN1C[C@H](C)O ZINC000247579694 549360737 /nfs/dbraw/zinc/36/07/37/549360737.db2.gz IGTAUZBRQXHBIY-DOTOQJQBSA-N 0 3 367.921 2.123 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000248065688 549404913 /nfs/dbraw/zinc/40/49/13/549404913.db2.gz PSPJGZGEHWQWBP-AOIWGVFYSA-N 0 3 361.461 2.288 10 0 FEAEHN CC[C@H]1CN(Cc2cc(C(=O)OC)ccc2Cl)CCN1C[C@H](C)O ZINC000248394198 549427320 /nfs/dbraw/zinc/42/73/20/549427320.db2.gz FFWINOVWFORGCX-BBRMVZONSA-N 0 3 354.878 2.404 10 0 FEAEHN CSc1c(F)cc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1F ZINC000248438187 549437857 /nfs/dbraw/zinc/43/78/57/549437857.db2.gz BTVXWINWDFDUOS-QMTHXVAHSA-N 0 3 371.453 2.470 10 0 FEAEHN CC[C@H]1CN(CC2CCN(C(=O)C(C)(C)C)CC2)CCN1C[C@H](C)O ZINC000248589255 549463984 /nfs/dbraw/zinc/46/39/84/549463984.db2.gz QVMFDSGOWPAFGA-WMZOPIPTSA-N 0 3 353.551 2.048 10 0 FEAEHN COc1ccccc1-n1ncc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1C ZINC000248666228 549480323 /nfs/dbraw/zinc/48/03/23/549480323.db2.gz NKWRMLHWXFBOIS-ZBFHGGJFSA-N 0 3 354.454 2.498 10 0 FEAEHN CCO[C@@H]1C[C@@H](NC(=O)N(C)C[C@H]2CCCN2CC)C12CCOCC2 ZINC000248672899 549481968 /nfs/dbraw/zinc/48/19/68/549481968.db2.gz BUJPRMWTQIRCSO-BRWVUGGUSA-N 0 3 353.507 2.086 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCN([C@H](C)c3nccs3)CC2)C1 ZINC000248752597 549496207 /nfs/dbraw/zinc/49/62/07/549496207.db2.gz UFFYMNOVBLMCAW-BZUAXINKSA-N 0 3 365.547 2.260 10 0 FEAEHN C[C@@H]1CN(c2ccnc(C(=O)N3C[C@@H]4CCCN4C[C@@H]3C)c2)C[C@@H](C)O1 ZINC000248972400 549533126 /nfs/dbraw/zinc/53/31/26/549533126.db2.gz PSZXWIZKKJTJEZ-LHHMISFZSA-N 0 3 358.486 2.004 10 0 FEAEHN CCCCOc1cccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)c1 ZINC000249228962 549570804 /nfs/dbraw/zinc/57/08/04/549570804.db2.gz VIJQTNDEYSIFPR-NVXWUHKLSA-N 0 3 359.470 2.499 10 0 FEAEHN CCc1csc([C@@H]2CCCN(C[C@@H](O)COC[C@@H]3CCCO3)C2)n1 ZINC000249856050 549632434 /nfs/dbraw/zinc/63/24/34/549632434.db2.gz DFJAFHGPZQVVMC-OIISXLGYSA-N 0 3 354.516 2.441 10 0 FEAEHN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)N[C@H]2CCCN(CC)C2)C1 ZINC000250572753 549642864 /nfs/dbraw/zinc/64/28/64/549642864.db2.gz YASRAJWFGHMKLG-ULQDDVLXSA-N 0 3 352.523 2.197 10 0 FEAEHN Cc1noc(C)c1COc1cccc(-c2nc([C@@H]3CNCCN3C)no2)c1 ZINC000263167194 549882929 /nfs/dbraw/zinc/88/29/29/549882929.db2.gz FHPVVPJAXIRWIB-KRWDZBQOSA-N 0 3 369.425 2.497 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2csc(Cc3ccccc3F)n2)n1 ZINC000263198772 549885209 /nfs/dbraw/zinc/88/52/09/549885209.db2.gz IVCJZWCYVUOSRG-AWEZNQCLSA-N 0 3 359.430 2.499 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2nn(-c3ccc(F)cc3)c3c2CCC3)n1 ZINC000263203951 549885590 /nfs/dbraw/zinc/88/55/90/549885590.db2.gz JLALINMZYUMEEM-INIZCTEOSA-N 0 3 368.416 2.126 10 0 FEAEHN CN1CCNC[C@H]1c1noc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)n1 ZINC000263236945 549887736 /nfs/dbraw/zinc/88/77/36/549887736.db2.gz ODRXBVSKHNQIDQ-ZBFHGGJFSA-N 0 3 370.457 2.057 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(C2(c3ccc(Br)cc3)CC2)n1 ZINC000263274179 549891351 /nfs/dbraw/zinc/89/13/51/549891351.db2.gz SOLADKQGALORJR-CYBMUJFWSA-N 0 3 363.259 2.488 10 0 FEAEHN C[C@H](CN1CCN(C)CC1)Nc1nc(-c2ccncc2)nc2c1CCC2 ZINC000301207495 553631222 /nfs/dbraw/zinc/63/12/22/553631222.db2.gz UEZDJRCLJGCDSN-OAHLLOKOSA-N 0 3 352.486 2.075 10 0 FEAEHN CCOc1cc2nccc(NC[C@@H]3CN4CCN3CC4)c2cc1OCC ZINC000301801721 553681240 /nfs/dbraw/zinc/68/12/40/553681240.db2.gz WQCDAWKJENLYQH-OAHLLOKOSA-N 0 3 356.470 2.444 10 0 FEAEHN OC[C@H]1CCCN1c1cc(NCC2CCN(c3ccncc3)CC2)ncn1 ZINC000301959140 553694486 /nfs/dbraw/zinc/69/44/86/553694486.db2.gz OQYTZUGXVAMKLS-GOSISDBHSA-N 0 3 368.485 2.161 10 0 FEAEHN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000375473832 558033792 /nfs/dbraw/zinc/03/37/92/558033792.db2.gz XHIRDZRLKFARAG-DGYXETDDSA-N 0 3 352.519 2.322 10 0 FEAEHN CCN1CC[C@@H](NC(=O)c2ccc(F)cc2I)C1 ZINC000389950067 558610000 /nfs/dbraw/zinc/61/00/00/558610000.db2.gz DIFSNACCVHJAIX-SNVBAGLBSA-N 0 3 362.186 2.254 10 0 FEAEHN Cc1sc(Br)cc1S(=O)(=O)N(C)C[C@@H]1CCN(C)C1 ZINC000094871233 568151539 /nfs/dbraw/zinc/15/15/39/568151539.db2.gz LLKPLVGTUMXVTM-SNVBAGLBSA-N 0 3 367.334 2.391 10 0 FEAEHN Cn1cncc1[C@H]1[C@H](CNCc2cccc3c2OCCO3)CCCN1C ZINC000583616671 570809820 /nfs/dbraw/zinc/80/98/20/570809820.db2.gz ZBLCGJMYHYAJNN-HNAYVOBHSA-N 0 3 356.470 2.364 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000052592159 670315608 /nfs/dbraw/zinc/31/56/08/670315608.db2.gz UKWAQEGFFMYXBC-GJZGRUSLSA-N 0 3 354.495 2.169 10 0 FEAEHN CN(C)C[C@H](NC(=O)CCNC(=O)OCC(F)(F)F)c1ccccc1 ZINC000057193097 670367391 /nfs/dbraw/zinc/36/73/91/670367391.db2.gz YUDDBTUAKCXEFY-ZDUSSCGKSA-N 0 3 361.364 2.084 10 0 FEAEHN CC[C@@H]1CN(Cn2nc(OC(C)C)sc2=S)CCN1CCOC ZINC000117324965 670914839 /nfs/dbraw/zinc/91/48/39/670914839.db2.gz JQRMEICJFJVEKC-CYBMUJFWSA-N 0 3 360.549 2.461 10 0 FEAEHN CC[C@H]1CN(Cn2c(C)c(C)n(CCOC)c2=S)CCN1CCOC ZINC000117324418 670914864 /nfs/dbraw/zinc/91/48/64/670914864.db2.gz MLXSDISKCWGWLM-KRWDZBQOSA-N 0 3 370.563 2.282 10 0 FEAEHN CC[C@H]1CN(Cn2nc(-c3ccco3)n(C)c2=S)CCN1CCOC ZINC000117324670 670914912 /nfs/dbraw/zinc/91/49/12/670914912.db2.gz KXDKQCXJNIPNNI-AWEZNQCLSA-N 0 3 365.503 2.211 10 0 FEAEHN CC[C@@H]1CCc2c(sc(=O)n2CN2CCN(CCOC)[C@H](CC)C2)C1 ZINC000117323733 670914931 /nfs/dbraw/zinc/91/49/31/670914931.db2.gz MXCSSCZBFVNUFN-HZPDHXFCSA-N 0 3 367.559 2.425 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)C1 ZINC000132221512 672096111 /nfs/dbraw/zinc/09/61/11/672096111.db2.gz ASBRUAQLDFNYMU-CABCVRRESA-N 0 3 354.495 2.122 10 0 FEAEHN O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(Cl)c(Cl)[nH]1 ZINC000159244942 672279206 /nfs/dbraw/zinc/27/92/06/672279206.db2.gz WHCWPUYGISRALE-ZDUSSCGKSA-N 0 3 368.264 2.471 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC000237049776 672805881 /nfs/dbraw/zinc/80/58/81/672805881.db2.gz JMGDLOBLAQIEFE-SUMWQHHRSA-N 0 3 353.894 2.366 10 0 FEAEHN CCOC(=O)CCNC(=O)N1CCC[C@@H](N(C)CCc2ccccc2)C1 ZINC000012507514 539562278 /nfs/dbraw/zinc/56/22/78/539562278.db2.gz ZOVZXONIXJKKNK-GOSISDBHSA-N 0 3 361.486 2.288 10 0 FEAEHN CN(C(=O)C1=NN(C)C(=O)CC1)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000014965220 539607999 /nfs/dbraw/zinc/60/79/99/539607999.db2.gz KHJZWJMOQNRBLJ-SFHVURJKSA-N 0 3 370.497 2.150 10 0 FEAEHN O=C(NC1CCN(C[C@@H](O)COCc2ccccc2)CC1)c1ccccc1 ZINC000025304972 539755283 /nfs/dbraw/zinc/75/52/83/539755283.db2.gz JGQUDVHNHSWEBL-OAQYLSRUSA-N 0 3 368.477 2.459 10 0 FEAEHN O=C(CCn1nc(C(F)(F)F)cc1C1CC1)N1CCN2CCC[C@H]2C1 ZINC000028233235 539828575 /nfs/dbraw/zinc/82/85/75/539828575.db2.gz IPBOJQONJZSNJI-ZDUSSCGKSA-N 0 3 356.392 2.476 10 0 FEAEHN Cc1ccc(OCCCCNC(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000046337186 540252522 /nfs/dbraw/zinc/25/25/22/540252522.db2.gz KOMFOALDWWDIPQ-GOSISDBHSA-N 0 3 363.502 2.300 10 0 FEAEHN CCN(CCCNC(=O)NC[C@H](O)CN1CCCCC1)c1ccccc1 ZINC000049174613 540383502 /nfs/dbraw/zinc/38/35/02/540383502.db2.gz CEAGDNNCQJPKFX-IBGZPJMESA-N 0 3 362.518 2.049 10 0 FEAEHN Cc1ccc(SCCNC(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000049174996 540384113 /nfs/dbraw/zinc/38/41/13/540384113.db2.gz KXNRTBGYDWUALW-INIZCTEOSA-N 0 3 351.516 2.233 10 0 FEAEHN CN(C)C[C@@H](NC(=O)NCCNC(=O)c1ccccc1F)c1ccccc1 ZINC000052519295 540469628 /nfs/dbraw/zinc/46/96/28/540469628.db2.gz FTZWFYBHLMYAQS-GOSISDBHSA-N 0 3 372.444 2.158 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)C1 ZINC000052593749 540476230 /nfs/dbraw/zinc/47/62/30/540476230.db2.gz HCDRSJZXSMSIJQ-IRXDYDNUSA-N 0 3 373.501 2.234 10 0 FEAEHN COc1ccc2c(c1O)[C@@]13C=C(OC)[C@@H](OC(C)=O)C=C1[C@@H](C2)N(C)CC3 ZINC000056871164 540751558 /nfs/dbraw/zinc/75/15/58/540751558.db2.gz DNOMLUPMYHAJIY-KUDFPVQQSA-N 0 3 371.433 2.301 10 0 in-vitro FEAEHN COc1ccccc1C(=O)N[C@H](C(=O)NC[C@H](C)N(C)C1CC1)C(C)C ZINC000057716379 540810814 /nfs/dbraw/zinc/81/08/14/540810814.db2.gz FXRZTCKHDSXBOJ-KSSFIOAISA-N 0 3 361.486 2.049 10 0 FEAEHN COCCOCc1cc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)ccc1F ZINC000247381767 549326917 /nfs/dbraw/zinc/32/69/17/549326917.db2.gz PUTHMFMPGMLICY-KBXCAEBGSA-N 0 3 352.450 2.447 10 0 FEAEHN Cc1occc1C(=O)NC1CCN(C[C@H](O)COCc2ccccc2)CC1 ZINC000067229949 541434964 /nfs/dbraw/zinc/43/49/64/541434964.db2.gz KAZRWRJWRVRVDS-IBGZPJMESA-N 0 3 372.465 2.360 10 0 FEAEHN CCNC(=O)CN(CC)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000067569996 541482796 /nfs/dbraw/zinc/48/27/96/541482796.db2.gz LZUIXYQIZLZUJR-GOSISDBHSA-N 0 3 360.502 2.209 10 0 FEAEHN Cc1nc2c(c(=O)[n-]1)CC[N@H+](C[C@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC000067804779 541515063 /nfs/dbraw/zinc/51/50/63/541515063.db2.gz WGGBWTQLGJXKFX-CYBMUJFWSA-N 0 3 355.438 2.086 10 0 FEAEHN Cc1nc2c(c(=O)[n-]1)CC[N@@H+](C[C@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC000067804779 541515068 /nfs/dbraw/zinc/51/50/68/541515068.db2.gz WGGBWTQLGJXKFX-CYBMUJFWSA-N 0 3 355.438 2.086 10 0 FEAEHN O=C(CCCN1CCN(c2ccccc2)CC1)NC[C@@H]1CCCC[C@@H]1O ZINC000077161245 542348986 /nfs/dbraw/zinc/34/89/86/542348986.db2.gz VKZYTWWTMYCAQQ-ICSRJNTNSA-N 0 3 359.514 2.256 10 0 FEAEHN CCc1nc2c(c(N[C@H](C)c3ccccc3)n1)CCN(C(=O)CN)CC2 ZINC000072436012 208863300 /nfs/dbraw/zinc/86/33/00/208863300.db2.gz NIWOVVIZCDBQHX-CQSZACIVSA-N 0 3 353.470 2.098 10 0 FEAEHN Cc1cc(OCCO)ccc1NC(=O)c1ccc(N2CCNCC2)cc1 ZINC000001896306 132382590 /nfs/dbraw/zinc/38/25/90/132382590.db2.gz SYPSIAYSALMKPI-UHFFFAOYSA-N 0 3 355.438 2.028 10 0 FEAEHN CCOc1ccc(OC[C@@H](O)CN2CCC[C@@H](c3nncn3CC)C2)cc1 ZINC000103475462 543110224 /nfs/dbraw/zinc/11/02/24/543110224.db2.gz PFRANBFZQADUGC-SJORKVTESA-N 0 3 374.485 2.316 10 0 FEAEHN Cc1cccc(NC(=O)CN(C)C2CCN(CCn3cccn3)CC2)c1 ZINC000106130647 543205314 /nfs/dbraw/zinc/20/53/14/543205314.db2.gz SLROFRRGWNUMJO-UHFFFAOYSA-N 0 3 355.486 2.226 10 0 FEAEHN CCc1nccn1[C@H]1CCCN(CCN2C(=O)c3ccccc3C2=O)C1 ZINC000106217667 543219451 /nfs/dbraw/zinc/21/94/51/543219451.db2.gz SJPRAQLVDXYZPZ-HNNXBMFYSA-N 0 3 352.438 2.379 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000247447285 549335242 /nfs/dbraw/zinc/33/52/42/549335242.db2.gz SLLQLWRDYJDRSW-GDBMZVCRSA-N 0 3 360.454 2.266 10 0 FEAEHN CN(C)C[C@H](NC(=O)Nc1cccnc1-n1cncn1)c1ccccc1 ZINC000108924008 543308550 /nfs/dbraw/zinc/30/85/50/543308550.db2.gz TVVUVXGBENYSQP-INIZCTEOSA-N 0 3 351.414 2.087 10 0 FEAEHN Cn1cc(CN2CCCN(C(=O)c3cc(-c4cccs4)[nH]n3)CC2)cn1 ZINC000109655747 543331771 /nfs/dbraw/zinc/33/17/71/543331771.db2.gz GPHJFHOSDSCVOJ-UHFFFAOYSA-N 0 3 370.482 2.220 10 0 FEAEHN CCn1cc(CN2CCCN(C(=O)c3[nH]nc4ccccc43)CC2)cn1 ZINC000109662686 543333175 /nfs/dbraw/zinc/33/31/75/543333175.db2.gz FRBHPCHYZTZWIF-UHFFFAOYSA-N 0 3 352.442 2.127 10 0 FEAEHN CCC(CC)[C@H](O)CNCc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000111404572 543400304 /nfs/dbraw/zinc/40/03/04/543400304.db2.gz NAKTTWWIKMKLEG-QGZVFWFLSA-N 0 3 352.523 2.267 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)C1 ZINC000111882439 543423191 /nfs/dbraw/zinc/42/31/91/543423191.db2.gz GLZAFLUFDPRAJJ-HUUCEWRRSA-N 0 3 366.456 2.275 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@H](CNC(=O)C(C)(C)C)C2)C1 ZINC000112745405 543462354 /nfs/dbraw/zinc/46/23/54/543462354.db2.gz IZJLFDGPYUEDBP-CVEARBPZSA-N 0 3 352.523 2.055 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)c3cc(Cl)ccn3)CC2)nc1 ZINC000114415319 543514623 /nfs/dbraw/zinc/51/46/23/543514623.db2.gz ODSQGSGLZPEEAA-UHFFFAOYSA-N 0 3 359.861 2.154 10 0 FEAEHN Cc1c(C(=O)N2CCO[C@@H](CN(C)C)C2)cnn1-c1cc(C)ccc1C ZINC000123674031 543776448 /nfs/dbraw/zinc/77/64/48/543776448.db2.gz LCCZJOAMORDKID-KRWDZBQOSA-N 0 3 356.470 2.200 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1OC(F)F ZINC000129407773 544110715 /nfs/dbraw/zinc/11/07/15/544110715.db2.gz YBQDMVXIQRMJKG-CYBMUJFWSA-N 0 3 369.412 2.463 10 0 FEAEHN CN(C)C[C@@](C)(O)CNC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000131370167 544187724 /nfs/dbraw/zinc/18/77/24/544187724.db2.gz ARRBHFNURBVUTL-APWZRJJASA-N 0 3 361.486 2.435 10 0 FEAEHN CCCn1cc(CN2CCCN(C(=O)[C@@H]3CCCc4[nH]ncc43)CC2)cn1 ZINC000134397462 544306390 /nfs/dbraw/zinc/30/63/90/544306390.db2.gz FOCLUPGXMOTXGH-QGZVFWFLSA-N 0 3 370.501 2.171 10 0 FEAEHN CC(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(C)cc2OCCN(C)C)C1 ZINC000154643755 544931636 /nfs/dbraw/zinc/93/16/36/544931636.db2.gz YYXDSKJPRCHYAB-MRXNPFEDSA-N 0 3 362.474 2.068 10 0 FEAEHN CN(C)C[C@@H]1CN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)CCO1 ZINC000155265753 545006951 /nfs/dbraw/zinc/00/69/51/545006951.db2.gz RUFFLTYEDVGYJP-RBBKRZOGSA-N 0 3 370.493 2.356 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2ccn(-c3ccccc3Cl)n2)CCO1 ZINC000181243757 327722053 /nfs/dbraw/zinc/72/20/53/327722053.db2.gz WVDDRXSYNGBQIC-CYBMUJFWSA-N 0 3 363.849 2.320 10 0 FEAEHN Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000184627374 327876088 /nfs/dbraw/zinc/87/60/88/327876088.db2.gz WRMIGDWVDCBBHJ-CQSZACIVSA-N 0 3 358.467 2.220 10 0 FEAEHN CC(=O)N[C@H]1CCCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C1 ZINC000184671162 327878312 /nfs/dbraw/zinc/87/83/12/327878312.db2.gz IAXPRDMJJRUGPW-IBGZPJMESA-N 0 3 357.498 2.416 10 0 FEAEHN CCc1ccc([C@@H](CNC(=O)N2CC(NC(=O)C3CCC3)C2)N(C)C)cc1 ZINC000188774209 328110024 /nfs/dbraw/zinc/11/00/24/328110024.db2.gz WPCLBVGKLAXYFP-LJQANCHMSA-N 0 3 372.513 2.162 10 0 FEAEHN CCc1ccc([C@H](CNC(=O)N2CC(NC(=O)C3CCC3)C2)N(C)C)cc1 ZINC000188774232 328110027 /nfs/dbraw/zinc/11/00/27/328110027.db2.gz WPCLBVGKLAXYFP-IBGZPJMESA-N 0 3 372.513 2.162 10 0 FEAEHN C[C@@H](NCC(=O)NC(=O)NCc1ccco1)c1cccc(-n2ccnc2)c1 ZINC000189887387 328173876 /nfs/dbraw/zinc/17/38/76/328173876.db2.gz AZEDCIWIQGWNHK-CQSZACIVSA-N 0 3 367.409 2.142 10 0 FEAEHN CC[C@H](C)[C@H](NC(=O)CN[C@@H](C)c1cccc(-n2ccnc2)c1)C(=O)OC ZINC000189904082 328175255 /nfs/dbraw/zinc/17/52/55/328175255.db2.gz HTJSVQGVPJLUDP-DOXZYTNZSA-N 0 3 372.469 2.227 10 0 FEAEHN C[C@@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc(-n2ccnc2)c1 ZINC000189917681 328175863 /nfs/dbraw/zinc/17/58/63/328175863.db2.gz GOPZGSLRVQVSDP-CRAIPNDOSA-N 0 3 364.453 2.452 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000190336976 328201073 /nfs/dbraw/zinc/20/10/73/328201073.db2.gz ZIUYLURCQOZSEM-IAGOWNOFSA-N 0 3 369.465 2.229 10 0 FEAEHN CCC(C)(C)NC(=O)CN1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190496385 328211782 /nfs/dbraw/zinc/21/17/82/328211782.db2.gz MVBNUVZQWOFEKZ-INIZCTEOSA-N 0 3 369.550 2.419 10 0 FEAEHN CC(C)N1CC[C@H](N2CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC2)C1=O ZINC000190508313 328212495 /nfs/dbraw/zinc/21/24/95/328212495.db2.gz NJMGGASKMIIKBR-IRXDYDNUSA-N 0 3 367.534 2.124 10 0 FEAEHN CC[C@@H](C)NC(=O)CN1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190516094 328213071 /nfs/dbraw/zinc/21/30/71/328213071.db2.gz BSYHUQWFRJCEAM-CVEARBPZSA-N 0 3 355.523 2.029 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2nc3ccccn3n2)C1 ZINC000190590234 328218430 /nfs/dbraw/zinc/21/84/30/328218430.db2.gz HYIBMUSJNAJXMT-MRXNPFEDSA-N 0 3 365.441 2.110 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)CCC(=O)NC2CCCC2)C1 ZINC000190646260 328221727 /nfs/dbraw/zinc/22/17/27/328221727.db2.gz RFRKYHYFDHXAJM-SFHVURJKSA-N 0 3 372.513 2.201 10 0 FEAEHN C[C@H]1CN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCS1 ZINC000190737336 328229022 /nfs/dbraw/zinc/22/90/22/328229022.db2.gz HMVYSKHYYMKIFQ-WMZOPIPTSA-N 0 3 363.527 2.424 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H]2CCO)C1 ZINC000190736124 328229036 /nfs/dbraw/zinc/22/90/36/328229036.db2.gz DANQTAWJADLPLA-IPMKNSEASA-N 0 3 360.502 2.096 10 0 FEAEHN Cc1nn(C)cc1CN1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190852564 328236066 /nfs/dbraw/zinc/23/60/66/328236066.db2.gz NMUIROBXLCXLGI-QGZVFWFLSA-N 0 3 350.507 2.357 10 0 FEAEHN C[C@@H]1OCCC[C@H]1C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000191266296 328257458 /nfs/dbraw/zinc/25/74/58/328257458.db2.gz ZAMJDMZISYHWTF-AZUAARDMSA-N 0 3 359.514 2.078 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2nc3c(s2)CCCCC3)[C@@H](C)C1 ZINC000193146296 328359468 /nfs/dbraw/zinc/35/94/68/328359468.db2.gz LGIGYHATIAGXLT-JSGCOSHPSA-N 0 3 364.515 2.195 10 0 FEAEHN Cc1cc(N2CCC[C@H](NCCCc3ccc4c(c3)CCO4)C2=O)n(C)n1 ZINC000193299825 328367546 /nfs/dbraw/zinc/36/75/46/328367546.db2.gz DCHCFLHPWCWPOS-SFHVURJKSA-N 0 3 368.481 2.381 10 0 FEAEHN CCCCOC[C@H](O)CN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000193376342 328371633 /nfs/dbraw/zinc/37/16/33/328371633.db2.gz KKVVSVNJESTNGT-DLBZAZTESA-N 0 3 350.507 2.362 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Cl)nc1C ZINC000193415275 328373950 /nfs/dbraw/zinc/37/39/50/328373950.db2.gz OFQJWOAZEMJSEI-CHWSQXEVSA-N 0 3 350.850 2.067 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000236922291 328498301 /nfs/dbraw/zinc/49/83/01/328498301.db2.gz PXJONDZYSPXEKN-GXFFZTMASA-N 0 3 366.263 2.401 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000236951315 328499144 /nfs/dbraw/zinc/49/91/44/328499144.db2.gz GNONMKRXXMVHDW-IUODEOHRSA-N 0 3 371.403 2.363 10 0 FEAEHN COc1ccc(N2C[C@@H](C(=O)N[C@@H](CC(C)C)CN(C)C)CC2=O)cc1 ZINC000077730312 325009475 /nfs/dbraw/zinc/00/94/75/325009475.db2.gz LCUJQIZEFMBUFD-HOTGVXAUSA-N 0 3 361.486 2.141 10 0 FEAEHN Cc1csc(N2CCN(C(=O)N[C@H](CC(C)C)CN(C)C)CC2)n1 ZINC000079495780 325093268 /nfs/dbraw/zinc/09/32/68/325093268.db2.gz DLUMOQGNVQWOFY-OAHLLOKOSA-N 0 3 353.536 2.259 10 0 FEAEHN Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCN(C)C2)sc1Br ZINC000081053176 325157025 /nfs/dbraw/zinc/15/70/25/325157025.db2.gz MSBSSOFRNOUNMG-SNVBAGLBSA-N 0 3 367.334 2.391 10 0 FEAEHN C[C@@H](N[C@@H]1CCCN(c2cccnn2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000089732656 325329189 /nfs/dbraw/zinc/32/91/89/325329189.db2.gz LVPMUJFZPRZHAC-GDBMZVCRSA-N 0 3 360.483 2.200 10 0 FEAEHN CN(CC1CCN(C)CC1)C(=O)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000103452071 325518362 /nfs/dbraw/zinc/51/83/62/325518362.db2.gz GKTYAFWVAPZSJA-LJQANCHMSA-N 0 3 359.495 2.416 10 0 FEAEHN O=C(C[C@H]1CSCCN1)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000238108464 328541358 /nfs/dbraw/zinc/54/13/58/328541358.db2.gz NLMSGLCJSRVDKP-DLBZAZTESA-N 0 3 360.479 2.437 10 0 FEAEHN Cc1nn(-c2ccc(F)cc2F)c(C)c1CN[C@H]1CCc2ncnn2C1 ZINC000109072584 325658450 /nfs/dbraw/zinc/65/84/50/325658450.db2.gz RUWKGSSJZXSQLK-AWEZNQCLSA-N 0 3 358.396 2.463 10 0 FEAEHN O=C(NCC1CCN(CCO)CC1)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000111861497 325741419 /nfs/dbraw/zinc/74/14/19/325741419.db2.gz CCOXAYPHNXFYRH-DLBZAZTESA-N 0 3 351.878 2.199 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000112441399 325782051 /nfs/dbraw/zinc/78/20/51/325782051.db2.gz QLIJQTRMJFBAOY-ZBFHGGJFSA-N 0 3 364.465 2.207 10 0 FEAEHN CCOc1ccccc1NC(=O)[C@@H](C)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000112550558 325790021 /nfs/dbraw/zinc/79/00/21/325790021.db2.gz MTFQUQXNXHKAED-ZIAGYGMSSA-N 0 3 357.458 2.171 10 0 FEAEHN C[C@H](CN1CCCCC1)NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000245620402 328561737 /nfs/dbraw/zinc/56/17/37/328561737.db2.gz DXXBSDPVIWWPAU-LJHODMEESA-N 0 3 361.461 2.336 10 0 FEAEHN CC(=O)c1csc(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)c1 ZINC000114414588 325891243 /nfs/dbraw/zinc/89/12/43/325891243.db2.gz NWUBRSVVXDRRIH-UHFFFAOYSA-N 0 3 372.494 2.370 10 0 FEAEHN CN(C)C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CCO1 ZINC000116900777 326041131 /nfs/dbraw/zinc/04/11/31/326041131.db2.gz VXPRQIIAPDLRJI-GFCCVEGCSA-N 0 3 367.298 2.086 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCSc3c(F)cccc32)CCO1 ZINC000117033439 326048469 /nfs/dbraw/zinc/04/84/69/326048469.db2.gz MQDGDDHCRZYJBH-IUODEOHRSA-N 0 3 353.463 2.335 10 0 FEAEHN COCCN1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C[C@H]1C ZINC000117480726 326062747 /nfs/dbraw/zinc/06/27/47/326062747.db2.gz GBVVMTJIWUUBGS-UYAOXDASSA-N 0 3 374.529 2.013 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2csc(Cc3ccccc3F)n2)CCO1 ZINC000117807602 326071763 /nfs/dbraw/zinc/07/17/63/326071763.db2.gz CDFRQGLSWRUZIX-AWEZNQCLSA-N 0 3 363.458 2.276 10 0 FEAEHN CCOCCC1(CNC(=O)NC[C@@H](O)CN2CCCCC2)CCCC1 ZINC000119140643 326130838 /nfs/dbraw/zinc/13/08/38/326130838.db2.gz ZDHPHUBRMDCSAG-QGZVFWFLSA-N 0 3 355.523 2.119 10 0 FEAEHN CCC[C@H](C(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1)N(C)C ZINC000119219291 326138906 /nfs/dbraw/zinc/13/89/06/326138906.db2.gz HBTXANAKASCZAQ-DZGCQCFKSA-N 0 3 362.392 2.292 10 0 FEAEHN COc1cc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c(SC)cc1OC ZINC000120576798 326269910 /nfs/dbraw/zinc/26/99/10/326269910.db2.gz PNPPBIGZOVCFKD-UONOGXRCSA-N 0 3 354.516 2.313 10 0 FEAEHN CC1CCN(CC(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000121772829 326365979 /nfs/dbraw/zinc/36/59/79/326365979.db2.gz YHUWWLDSYVCEAI-OAQYLSRUSA-N 0 3 373.541 2.280 10 0 FEAEHN Cc1nccn1-c1ccc([C@H](C)NC(=O)N2CCO[C@@H](CN(C)C)C2)cc1 ZINC000123308291 326427203 /nfs/dbraw/zinc/42/72/03/326427203.db2.gz FVGKEHHTONUZIG-KXBFYZLASA-N 0 3 371.485 2.214 10 0 FEAEHN Cc1c(C(=O)N2CCO[C@H](CN(C)C)C2)cnn1-c1cc(C)ccc1C ZINC000123673783 326440186 /nfs/dbraw/zinc/44/01/86/326440186.db2.gz LCCZJOAMORDKID-QGZVFWFLSA-N 0 3 356.470 2.200 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)CCO1 ZINC000126196644 326484809 /nfs/dbraw/zinc/48/48/09/326484809.db2.gz CTWAGHBZVZAKSS-IBGZPJMESA-N 0 3 367.449 2.086 10 0 FEAEHN CN(C)C[C@H](NC(=O)N[C@H]1CCN(c2ncccc2F)C1)c1ccccc1 ZINC000153839980 326744424 /nfs/dbraw/zinc/74/44/24/326744424.db2.gz OMDATBKVXSAJTH-WMZOPIPTSA-N 0 3 371.460 2.402 10 0 FEAEHN C[C@@H](NC(=O)NC[C@@H](O)CN1CCCCC1)c1cccc(N2CCCC2)c1 ZINC000155216878 326781679 /nfs/dbraw/zinc/78/16/79/326781679.db2.gz JCWPRSVKLDXKCS-YLJYHZDGSA-N 0 3 374.529 2.494 10 0 FEAEHN COC(=O)N[C@@H](C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)C(C)C ZINC000155678243 326799551 /nfs/dbraw/zinc/79/95/51/326799551.db2.gz JBPRGJKQWCEEPA-WMLDXEAASA-N 0 3 362.474 2.104 10 0 FEAEHN COC(=O)C1=NOC2(C1)CCN(CCN(C)Cc1ccc(F)cc1)CC2 ZINC000161749301 327008201 /nfs/dbraw/zinc/00/82/01/327008201.db2.gz VAYUXODCNRSIAG-UHFFFAOYSA-N 0 3 363.433 2.041 10 0 FEAEHN C[C@](O)(CN1CCc2c(cccc2NS(C)(=O)=O)C1)c1ccccc1 ZINC000170777236 327098692 /nfs/dbraw/zinc/09/86/92/327098692.db2.gz VAHTYAMDYBDFBC-IBGZPJMESA-N 0 3 360.479 2.324 10 0 FEAEHN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)N2CC[C@H](N(C)C)C2)C1 ZINC000170836692 327101767 /nfs/dbraw/zinc/10/17/67/327101767.db2.gz OWXOTPUABABJCN-GJZGRUSLSA-N 0 3 366.893 2.273 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000170844110 327102144 /nfs/dbraw/zinc/10/21/44/327102144.db2.gz OESQWCCXUFOFLR-SNVBAGLBSA-N 0 3 363.767 2.460 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000170859633 327102981 /nfs/dbraw/zinc/10/29/81/327102981.db2.gz RJIFQYPUXBPGQY-LLVKDONJSA-N 0 3 365.886 2.447 10 0 FEAEHN Cc1nc(C[C@@H]2CCCN(C(=O)NC[C@@H](C)N3CCC[C@H](C)C3)C2)no1 ZINC000170892363 327105633 /nfs/dbraw/zinc/10/56/33/327105633.db2.gz MEZZMJMIRUYCPT-UXLLHSPISA-N 0 3 363.506 2.463 10 0 FEAEHN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171807360 327162747 /nfs/dbraw/zinc/16/27/47/327162747.db2.gz TULCCOPRSGYHHP-GOSISDBHSA-N 0 3 357.502 2.059 10 0 FEAEHN CCN(CC)C(=O)c1ccc(CNC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000171900420 327168574 /nfs/dbraw/zinc/16/85/74/327168574.db2.gz BWIGCZGVIKEKFQ-SFHVURJKSA-N 0 3 358.486 2.158 10 0 FEAEHN CC(C)NC(=O)Nc1ccc(CNC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000171901872 327168675 /nfs/dbraw/zinc/16/86/75/327168675.db2.gz IJWFSEBNTQCRFN-KRWDZBQOSA-N 0 3 359.474 2.206 10 0 FEAEHN COc1ccc(C2(CNC(=O)N3CCN4CCC[C@@H]4C3)CCOCC2)cc1 ZINC000171904453 327168946 /nfs/dbraw/zinc/16/89/46/327168946.db2.gz IONXDIAFSRIAES-GOSISDBHSA-N 0 3 373.497 2.233 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@@H](C)C(=O)Nc1ccc(N(C)C)cc1)CC2 ZINC000171984959 327174406 /nfs/dbraw/zinc/17/44/06/327174406.db2.gz QJKPSSZXCLUTAK-GOEBONIOSA-N 0 3 370.501 2.399 10 0 FEAEHN Cc1ccccc1CN1CCC(NC(=O)CN2[C@@H](C)COC[C@@H]2C)CC1 ZINC000172667378 327214037 /nfs/dbraw/zinc/21/40/37/327214037.db2.gz JUJSJONSAPUSPN-ROUUACIJSA-N 0 3 359.514 2.185 10 0 FEAEHN CCOCCN1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)C[C@@H]1CC ZINC000172791782 327219141 /nfs/dbraw/zinc/21/91/41/327219141.db2.gz VRYHFVIZQDBVBW-PKOBYXMFSA-N 0 3 361.486 2.445 10 0 FEAEHN C[C@@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)Oc1ccccc1Cl ZINC000173204049 327240966 /nfs/dbraw/zinc/24/09/66/327240966.db2.gz OTOBCFZNZQIAEG-KBPBESRZSA-N 0 3 355.866 2.079 10 0 FEAEHN C[C@H](CNC(=O)NC[C@@H](O)CN1CCCCC1)Oc1ccc(Cl)cc1 ZINC000173447421 327257747 /nfs/dbraw/zinc/25/77/47/327257747.db2.gz DGBBDBORFCOLLL-GDBMZVCRSA-N 0 3 369.893 2.253 10 0 FEAEHN COCCCN(C)CCNC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173504510 327262138 /nfs/dbraw/zinc/26/21/38/327262138.db2.gz HUSMTSZHBNXUMV-OAHLLOKOSA-N 0 3 354.520 2.309 10 0 FEAEHN CN(CCCNC(=O)N1CCC[C@@H](n2cncn2)C1)Cc1ccccc1 ZINC000173535960 327264540 /nfs/dbraw/zinc/26/45/40/327264540.db2.gz VJSUHFIKDWPKIG-GOSISDBHSA-N 0 3 356.474 2.147 10 0 FEAEHN CCCCNC(=O)[C@H](C)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000173646266 327273426 /nfs/dbraw/zinc/27/34/26/327273426.db2.gz OOVUAUCEDZBTMC-JKSUJKDBSA-N 0 3 353.532 2.324 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000173913195 327293950 /nfs/dbraw/zinc/29/39/50/327293950.db2.gz IRMLSIPWOREYEX-HIFRSBDPSA-N 0 3 364.877 2.181 10 0 FEAEHN CNc1cc(N2CCC[C@@H]2CN[C@@H](C)C(=O)Nc2cccc(F)c2)ncn1 ZINC000174287029 327317410 /nfs/dbraw/zinc/31/74/10/327317410.db2.gz LAUYAWAQYSTRCY-XJKSGUPXSA-N 0 3 372.448 2.243 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000174290572 327317624 /nfs/dbraw/zinc/31/76/24/327317624.db2.gz SRJSBTYIQGQONQ-FQEVSTJZSA-N 0 3 360.546 2.140 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cc(Cl)ccc1N(C)C ZINC000176973711 327488183 /nfs/dbraw/zinc/48/81/83/327488183.db2.gz SJZOVLROERXGOI-AWEZNQCLSA-N 0 3 368.909 2.437 10 0 FEAEHN Cc1ccnc(-c2ccc(NC(=O)N3CCO[C@@H](CN(C)C)C3)cc2)n1 ZINC000177167760 327502826 /nfs/dbraw/zinc/50/28/26/327502826.db2.gz FMCONISFMFHSRB-KRWDZBQOSA-N 0 3 355.442 2.246 10 0 FEAEHN COCCN1CCC(NC(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)CC1 ZINC000177453129 327523218 /nfs/dbraw/zinc/52/32/18/327523218.db2.gz ZYXOZGSZYDTVLB-OAHLLOKOSA-N 0 3 365.478 2.150 10 0 FEAEHN CN1C(=O)CC[C@H](C(=O)N2CC[C@@H](N3CCCC3)C2)[C@@H]1c1ccccc1 ZINC000246504651 328623102 /nfs/dbraw/zinc/62/31/02/328623102.db2.gz CBDOUHDXGDSDQI-HBFSDRIKSA-N 0 3 355.482 2.293 10 0 FEAEHN O=C(NC[C@@H]1NCCc2ccccc21)[C@H]1CCCN1C(=O)C1CCCC1 ZINC000262361166 328861335 /nfs/dbraw/zinc/86/13/35/328861335.db2.gz KKRZJFGFXLCXAS-RBUKOAKNSA-N 0 3 355.482 2.171 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NCC2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000157379147 545733453 /nfs/dbraw/zinc/73/34/53/545733453.db2.gz YAZBHTAGVGRIKH-LJQANCHMSA-N 0 3 372.513 2.322 10 0 FEAEHN Cn1cc(CN2CCCN(CCc3nc(-c4ccccc4)no3)CC2)cn1 ZINC000157974671 545806610 /nfs/dbraw/zinc/80/66/10/545806610.db2.gz HHWGLWYHCCRIPE-UHFFFAOYSA-N 0 3 366.469 2.221 10 0 FEAEHN CC[C@H](CNC(=O)NC[C@@H](O)CN1CCCCC1)Oc1cccc(F)c1 ZINC000175643490 546325876 /nfs/dbraw/zinc/32/58/76/546325876.db2.gz MYDXWYRNWOUBQJ-IAGOWNOFSA-N 0 3 367.465 2.129 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000175864287 546364229 /nfs/dbraw/zinc/36/42/29/546364229.db2.gz NBJYSPUHJHHIJG-UONOGXRCSA-N 0 3 352.445 2.241 10 0 FEAEHN Cc1ccc(NC(=O)N[C@@H]2CCCn3ncnc32)c(OCCN(C)C)c1 ZINC000176012570 546390292 /nfs/dbraw/zinc/39/02/92/546390292.db2.gz YUXUFJFTNLERJE-OAHLLOKOSA-N 0 3 358.446 2.184 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)N2CCC(CC(=O)N3CCCC3)CC2)[C@@H](C)C1 ZINC000176841126 546495557 /nfs/dbraw/zinc/49/55/57/546495557.db2.gz OOEUBMWEBQUKQR-WMZOPIPTSA-N 0 3 364.534 2.149 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccccc1OCC1CC1 ZINC000176907094 546506119 /nfs/dbraw/zinc/50/61/19/546506119.db2.gz JYBPGRYBQWWBMK-INIZCTEOSA-N 0 3 359.470 2.357 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O ZINC000177026600 546526425 /nfs/dbraw/zinc/52/64/25/546526425.db2.gz GUMDWYQQIIXITH-YLJYHZDGSA-N 0 3 370.497 2.158 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1CN1CCOCC1 ZINC000177310748 546591946 /nfs/dbraw/zinc/59/19/46/546591946.db2.gz NHKOWEVBHHDVHK-HXUWFJFHSA-N 0 3 374.529 2.145 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000177337916 546596193 /nfs/dbraw/zinc/59/61/93/546596193.db2.gz YRPRHPHJXHERSD-UXHICEINSA-N 0 3 374.529 2.186 10 0 FEAEHN CCC(CC)[C@H](CNC(=O)N(C)C[C@@H]1CCCN1CC)N1CCOCC1 ZINC000177344695 546597641 /nfs/dbraw/zinc/59/76/41/546597641.db2.gz SDFAQGQOQOGGAO-OALUTQOASA-N 0 3 368.566 2.249 10 0 FEAEHN C[C@@H]1CCN(C(=O)N[C@@H]2CCCn3ncnc32)CCN1Cc1ccccc1 ZINC000177348789 546598607 /nfs/dbraw/zinc/59/86/07/546598607.db2.gz SVYJIVYWIUIHBL-SJLPKXTDSA-N 0 3 368.485 2.419 10 0 FEAEHN COc1c(CNCCCc2nnc(SC)n2CC(C)C)c(C)nn1C ZINC000177558678 546644006 /nfs/dbraw/zinc/64/40/06/546644006.db2.gz RPLSOJPAQYGNPT-UHFFFAOYSA-N 0 3 366.535 2.429 10 0 FEAEHN CCCCCc1ccc(NC(=O)C(=O)N2CCO[C@@H](CN(C)C)C2)cc1 ZINC000177675680 546665566 /nfs/dbraw/zinc/66/55/66/546665566.db2.gz WDSSFAPYHQCZIR-SFHVURJKSA-N 0 3 361.486 2.147 10 0 FEAEHN O=C(Nc1ccccc1OC1CCCC1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177695108 546669174 /nfs/dbraw/zinc/66/91/74/546669174.db2.gz ANKQBYXKLBQQSB-OAHLLOKOSA-N 0 3 357.454 2.253 10 0 FEAEHN CNC(=O)[C@@H](NC(=O)NC[C@H]1CCCCN1Cc1ccccc1)C(C)C ZINC000178443579 546794621 /nfs/dbraw/zinc/79/46/21/546794621.db2.gz FCVPLEAEZVXTGR-MSOLQXFVSA-N 0 3 360.502 2.111 10 0 FEAEHN Cc1ccc(NC(=O)CN2CCN3CCC[C@@H]3C2)c(Br)c1 ZINC000178632710 546824501 /nfs/dbraw/zinc/82/45/01/546824501.db2.gz FUUISIHAQIWDOE-CYBMUJFWSA-N 0 3 352.276 2.476 10 0 FEAEHN O=C(CN1CCN2CCC[C@@H]2C1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000178638727 546825911 /nfs/dbraw/zinc/82/59/11/546825911.db2.gz ZWDQVPRVRIZJQD-QGZVFWFLSA-N 0 3 370.497 2.078 10 0 FEAEHN Cc1cccc(N2CCN(C(=O)CN3CC[C@]4(O)CCCC[C@@H]4C3)CC2)c1 ZINC000178696331 546834662 /nfs/dbraw/zinc/83/46/62/546834662.db2.gz USLIKSMGWDXEEU-DENIHFKCSA-N 0 3 371.525 2.271 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)NC1CCC2(CC1)OCCO2 ZINC000180352011 547089119 /nfs/dbraw/zinc/08/91/19/547089119.db2.gz LYTBNFJAUKUCCF-INIZCTEOSA-N 0 3 361.486 2.492 10 0 FEAEHN C[C@@H](CC(=O)Nc1cccc(Br)c1)NC[C@@H]1CN(C)CCO1 ZINC000180492416 547118690 /nfs/dbraw/zinc/11/86/90/547118690.db2.gz YIVISTNVGVCZQZ-SWLSCSKDSA-N 0 3 370.291 2.086 10 0 FEAEHN C[C@H](N[C@@H]1CCc2ncnn2C1)c1ccc(OCc2nccn2C)cc1 ZINC000180600163 547138966 /nfs/dbraw/zinc/13/89/66/547138966.db2.gz HCFWQISNBOAVNM-GOEBONIOSA-N 0 3 352.442 2.256 10 0 FEAEHN C[C@H](NC(=O)NCc1ccccc1CN1CCC[C@@H]1CO)[C@H]1CCCO1 ZINC000182577561 547516498 /nfs/dbraw/zinc/51/64/98/547516498.db2.gz ILUVTCHYTODTMD-KFKAGJAMSA-N 0 3 361.486 2.010 10 0 FEAEHN CC(C)COc1ncc(C(=O)N2CCO[C@@H](CN(C)C)C2)cc1Cl ZINC000183122628 547606439 /nfs/dbraw/zinc/60/64/39/547606439.db2.gz HKOIIBCIDBUPIY-AWEZNQCLSA-N 0 3 355.866 2.172 10 0 FEAEHN CCC[C@@H]1C[C@@H](C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)CCO1 ZINC000183788870 547719341 /nfs/dbraw/zinc/71/93/41/547719341.db2.gz ZTXPENFSFAJIJP-RBUKOAKNSA-N 0 3 374.529 2.387 10 0 FEAEHN Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000185070145 547926934 /nfs/dbraw/zinc/92/69/34/547926934.db2.gz LKGMCWAOINAGSD-HNNXBMFYSA-N 0 3 370.478 2.364 10 0 FEAEHN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000185412828 547981360 /nfs/dbraw/zinc/98/13/60/547981360.db2.gz FUTVHZHAXIHIBM-HOCLYGCPSA-N 0 3 365.522 2.154 10 0 FEAEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(CC(=O)N3CCCCC3)C[C@H]12 ZINC000186037130 548076669 /nfs/dbraw/zinc/07/66/69/548076669.db2.gz OWDXNUGRVHFOJO-OWCLPIDISA-N 0 3 351.491 2.234 10 0 FEAEHN C[C@@H](NC[C@H](O)CN1CCCCC1)c1ncc(Br)cc1F ZINC000187049899 548248184 /nfs/dbraw/zinc/24/81/84/548248184.db2.gz GXCNXPILLZBBLT-YPMHNXCESA-N 0 3 360.271 2.481 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)Cc2[nH]nc3ccccc32)C1 ZINC000190603220 548330085 /nfs/dbraw/zinc/33/00/85/548330085.db2.gz FKTVYSVGJLNKTI-QGZVFWFLSA-N 0 3 363.465 2.481 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cn(C(C)(C)C)nn2)C1 ZINC000190641619 548330824 /nfs/dbraw/zinc/33/08/24/548330824.db2.gz JKSQBBJUUQCCGS-INIZCTEOSA-N 0 3 356.474 2.022 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1cccc(-c2cnco2)c1 ZINC000194239784 548453816 /nfs/dbraw/zinc/45/38/16/548453816.db2.gz XIJJXCMGKJSVGC-MRXNPFEDSA-N 0 3 358.442 2.373 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(Cc2nnc(C3CC3)n2C)C1 ZINC000195258251 548605699 /nfs/dbraw/zinc/60/56/99/548605699.db2.gz AKMABHDKQZTETF-AWEZNQCLSA-N 0 3 360.531 2.411 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(Cc2cc(=O)n3ccsc3n2)C1 ZINC000195299298 548615829 /nfs/dbraw/zinc/61/58/29/548615829.db2.gz ACDXKAAGMNSGLV-MRXNPFEDSA-N 0 3 369.494 2.105 10 0 FEAEHN COc1cc(C(=O)N2CCN3CCC[C@H]3C2)cc(OC)c1Br ZINC000195321469 548622180 /nfs/dbraw/zinc/62/21/80/548622180.db2.gz CQXCYGOWXIIJJK-LBPRGKRZSA-N 0 3 369.259 2.387 10 0 FEAEHN O=C(CN1CCC(c2ccn[nH]2)CC1)Nc1ccc(Br)cn1 ZINC000195505259 548652779 /nfs/dbraw/zinc/65/27/79/548652779.db2.gz OOXBXNUJJYLEKW-UHFFFAOYSA-N 0 3 364.247 2.385 10 0 FEAEHN O=C([C@H]1COCCN1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000238012103 548872061 /nfs/dbraw/zinc/87/20/61/548872061.db2.gz LUGMGJXXSJRJHO-LJQANCHMSA-N 0 3 357.498 2.022 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C[C@H]1c2ccccc2CCN1C(C)=O ZINC000245438100 548920388 /nfs/dbraw/zinc/92/03/88/548920388.db2.gz XLJQGNFMJCHMQL-ICSRJNTNSA-N 0 3 357.498 2.465 10 0 FEAEHN CCCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000245788133 548994706 /nfs/dbraw/zinc/99/47/06/548994706.db2.gz USUAXUWIKAFRJS-CJNGLKHVSA-N 0 3 365.449 2.398 10 0 FEAEHN O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@@H](n2cncn2)C1 ZINC000245815026 548998680 /nfs/dbraw/zinc/99/86/80/548998680.db2.gz JCFGHZQLDRGYPO-PKOBYXMFSA-N 0 3 371.460 2.493 10 0 FEAEHN Cc1nc(C[C@H]2CCCN(C[C@@H](O)COCc3cccs3)C2)no1 ZINC000245867569 549006471 /nfs/dbraw/zinc/00/64/71/549006471.db2.gz UMSCGMQGWGCVCT-HUUCEWRRSA-N 0 3 351.472 2.272 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000246032378 549038968 /nfs/dbraw/zinc/03/89/68/549038968.db2.gz AKGVKDLDXQGJLB-FVQBIDKESA-N 0 3 350.484 2.257 10 0 FEAEHN CC[C@@H]1CN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CCN1C[C@H](C)O ZINC000246303403 549100793 /nfs/dbraw/zinc/10/07/93/549100793.db2.gz JFYBRMFSZADBQU-QGTPRVQTSA-N 0 3 374.447 2.386 10 0 FEAEHN C[C@H](NC(=O)CN1CCO[C@@H](CN(C)C)C1)c1ccc2ccccc2c1 ZINC000246368033 549116682 /nfs/dbraw/zinc/11/66/82/549116682.db2.gz NUTPFICWESKTRY-JXFKEZNVSA-N 0 3 355.482 2.279 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000246518912 549151725 /nfs/dbraw/zinc/15/17/25/549151725.db2.gz UBFLBCNEUXJMTN-BXUZGUMPSA-N 0 3 373.375 2.369 10 0 FEAEHN O=C1c2ccccc2C(=O)N1C[C@H](O)CN1CC[C@H](Cc2ccccc2)C1 ZINC000246777724 549210598 /nfs/dbraw/zinc/21/05/98/549210598.db2.gz OLYUPOQNFWRFEB-QZTJIDSGSA-N 0 3 364.445 2.208 10 0 FEAEHN C[C@H](OC[C@H](O)CN1CC[C@@H](N2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000246873742 549232744 /nfs/dbraw/zinc/23/27/44/549232744.db2.gz GFKWUGVNSQLCBV-KFKAGJAMSA-N 0 3 368.905 2.185 10 0 FEAEHN C[C@H](O)CN1CCN(Cc2cc3c(cc2Br)OCO3)C[C@@H]1C ZINC000246926278 549244616 /nfs/dbraw/zinc/24/46/16/549244616.db2.gz APHGMPLSMBYGIU-RYUDHWBXSA-N 0 3 371.275 2.065 10 0 FEAEHN Cn1cc([C@@H]2CCCN2CCOCCN2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000247067106 549275909 /nfs/dbraw/zinc/27/59/09/549275909.db2.gz OIOAINICHHRUMY-PMACEKPBSA-N 0 3 372.517 2.144 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc(Br)cnc1N(C)C ZINC000247085957 549280753 /nfs/dbraw/zinc/28/07/53/549280753.db2.gz HZPKNCVOHQXHNC-YPMHNXCESA-N 0 3 367.291 2.219 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccccc1CSc1nc[nH]n1 ZINC000247136483 549289256 /nfs/dbraw/zinc/28/92/56/549289256.db2.gz QUOYCOMQIQVLAD-HIFRSBDPSA-N 0 3 357.483 2.406 10 0 FEAEHN C[C@@H](NC(=O)[C@H](C)NC[C@H]1CN(C)CCO1)c1ccc2c(c1)CCCC2 ZINC000247597826 549364873 /nfs/dbraw/zinc/36/48/73/549364873.db2.gz SUXBVSXNVDJKOL-GUXCAODWSA-N 0 3 359.514 2.051 10 0 FEAEHN C[C@H](O)CN1CCN(Cc2cc3c(c(Br)c2)OCO3)C[C@H]1C ZINC000247735405 549375764 /nfs/dbraw/zinc/37/57/64/549375764.db2.gz MSORWJBWAQXYSZ-NEPJUHHUSA-N 0 3 371.275 2.065 10 0 FEAEHN C[C@H](O)CN1CCN(C[C@H](O)COc2ccc(C(C)(C)C)cc2)C[C@@H]1C ZINC000247777495 549379793 /nfs/dbraw/zinc/37/97/93/549379793.db2.gz RBBSDAZRDKVQAX-LNLFQRSKSA-N 0 3 364.530 2.111 10 0 FEAEHN CN(Cc1ccccc1)[C@@H](CNC(=O)N[C@H]1CCCn2ncnc21)C1CC1 ZINC000248556806 549457364 /nfs/dbraw/zinc/45/73/64/549457364.db2.gz LMYJCTJQJFLQLO-ROUUACIJSA-N 0 3 368.485 2.323 10 0 FEAEHN Cc1ccc(Cl)c(OC[C@H](O)CN2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000248599947 549466129 /nfs/dbraw/zinc/46/61/29/549466129.db2.gz UTLOJKKMBDPXRU-JFIYKMOQSA-N 0 3 368.905 2.041 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(CC(=O)N[C@H](C)C(C)C)C1 ZINC000248640280 549473964 /nfs/dbraw/zinc/47/39/64/549473964.db2.gz BTGKFHDLMWZWCC-GDBMZVCRSA-N 0 3 352.548 2.366 10 0 FEAEHN C[C@@H](C(=O)Nc1nccs1)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248644909 549475427 /nfs/dbraw/zinc/47/54/27/549475427.db2.gz FWTHNLOJGYUWLU-HOCLYGCPSA-N 0 3 359.499 2.319 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN([C@H](C)C(=O)NCC(C)C)C1 ZINC000248646850 549476640 /nfs/dbraw/zinc/47/66/40/549476640.db2.gz HVHQIOMOZXFCDR-CVEARBPZSA-N 0 3 352.548 2.366 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 ZINC000248799418 549503647 /nfs/dbraw/zinc/50/36/47/549503647.db2.gz ZTYNQRHAHUUGTA-UKRRQHHQSA-N 0 3 353.260 2.353 10 0 FEAEHN CC[C@H](C)NC(=O)CN1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000248957498 549532040 /nfs/dbraw/zinc/53/20/40/549532040.db2.gz BSYHUQWFRJCEAM-JKSUJKDBSA-N 0 3 355.523 2.029 10 0 FEAEHN CCN1CC[C@@H](NC(=O)[C@H]2C[C@H](F)CN2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249007616 549539091 /nfs/dbraw/zinc/53/90/91/549539091.db2.gz UWVSFKKZQNGWJG-AEAUEXCSSA-N 0 3 357.832 2.431 10 0 FEAEHN CCO[C@@H]1C[C@H](N[C@H](Cc2ccccc2)C(=O)N(C)C)C12CCOCC2 ZINC000249016330 549539384 /nfs/dbraw/zinc/53/93/84/549539384.db2.gz PQDRWAFYUXOUSI-CEXWTWQISA-N 0 3 360.498 2.250 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000249153348 549561427 /nfs/dbraw/zinc/56/14/27/549561427.db2.gz HSSFUDDZYQUCEH-AAEUAGOBSA-N 0 3 371.359 2.219 10 0 FEAEHN Cc1noc(-c2ccccc2)c1NC(=O)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000249190199 549566720 /nfs/dbraw/zinc/56/67/20/549566720.db2.gz PDFYZCVWGZUHLX-CZUORRHYSA-N 0 3 368.437 2.284 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(-c2ncco2)c1 ZINC000249190200 549567089 /nfs/dbraw/zinc/56/70/89/549567089.db2.gz PDIHOIAMEAKWNL-IRXDYDNUSA-N 0 3 368.437 2.365 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000249203052 549568067 /nfs/dbraw/zinc/56/80/67/549568067.db2.gz RGWDNYUMXUXAIR-ZBFHGGJFSA-N 0 3 372.469 2.037 10 0 FEAEHN C[C@H](O)CN1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C[C@@H]1C ZINC000249538285 549602663 /nfs/dbraw/zinc/60/26/63/549602663.db2.gz DCPKDGDNDRYPKC-QWRGUYRKSA-N 0 3 368.890 2.319 10 0 FEAEHN N[C@H](C(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1)C1CCOCC1 ZINC000261761978 549752345 /nfs/dbraw/zinc/75/23/45/549752345.db2.gz LTUCSVYPJDPVNZ-CVEARBPZSA-N 0 3 372.387 2.359 10 0 FEAEHN NCc1nc(CN2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)no1 ZINC000261893508 549766698 /nfs/dbraw/zinc/76/66/98/549766698.db2.gz AOTLRJLQZDWQHZ-UHFFFAOYSA-N 0 3 369.391 2.255 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2csc(Cc3ccccc3F)n2)n1 ZINC000263198774 549885264 /nfs/dbraw/zinc/88/52/64/549885264.db2.gz IVCJZWCYVUOSRG-CQSZACIVSA-N 0 3 359.430 2.499 10 0 FEAEHN C[C@H](NC[C@H](C)N(C)C(=O)OC(C)(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000283373542 551355768 /nfs/dbraw/zinc/35/57/68/551355768.db2.gz ODSJPFSHBSOAAC-STQMWFEESA-N 0 3 371.503 2.240 10 0 FEAEHN C[C@@H](NC[C@H](C)N(C)C(=O)OC(C)(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000283464564 551370591 /nfs/dbraw/zinc/37/05/91/551370591.db2.gz VUCMAPJIPZURBR-QWHCGFSZSA-N 0 3 371.503 2.240 10 0 FEAEHN CNCC(=O)Nc1cc(Br)ccc1I ZINC000300756252 553617293 /nfs/dbraw/zinc/61/72/93/553617293.db2.gz CADKPWLPKHXKBY-UHFFFAOYSA-N 0 3 369.000 2.212 10 0 FEAEHN CCc1cc(N2CCN(C[C@H](C)O)[C@H](CC)C2)nc(-c2ccccn2)n1 ZINC000301201571 553630521 /nfs/dbraw/zinc/63/05/21/553630521.db2.gz NEHIVYLKYFEUSI-DOTOQJQBSA-N 0 3 355.486 2.382 10 0 FEAEHN CN1CCC[C@@H](N2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)C1 ZINC000301261570 553636932 /nfs/dbraw/zinc/63/69/32/553636932.db2.gz FOJDJDQQSKCGNV-GOSISDBHSA-N 0 3 355.461 2.499 10 0 FEAEHN c1cc(-c2nc3c(c(N4CCN(C[C@H]5CCOC5)CC4)n2)CCC3)ccn1 ZINC000301595395 553664560 /nfs/dbraw/zinc/66/45/60/553664560.db2.gz YXSNGEJSZJMGBN-MRXNPFEDSA-N 0 3 365.481 2.186 10 0 FEAEHN CCc1cc(N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)n2ncnc2n1 ZINC000301594441 553664635 /nfs/dbraw/zinc/66/46/35/553664635.db2.gz YPIXYZBNNCHDMI-IYBDPMFKSA-N 0 3 372.517 2.402 10 0 FEAEHN C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374076007 557819356 /nfs/dbraw/zinc/81/93/56/557819356.db2.gz YVDNRUOLZLJMHD-YXMSTPNBSA-N 0 3 353.507 2.261 10 0 FEAEHN CCc1ccc(CNc2nn3c(nc(CN4CCCC4)cc3=O)[nH]2)cc1 ZINC000101796948 570823770 /nfs/dbraw/zinc/82/37/70/570823770.db2.gz NXHHZBZFXXBDCQ-UHFFFAOYSA-N 0 3 352.442 2.188 10 0 FEAEHN CCc1ccc(CNc2nn3c([n-]2)nc(C[NH+]2CCCC2)cc3=O)cc1 ZINC000101796948 570823772 /nfs/dbraw/zinc/82/37/72/570823772.db2.gz NXHHZBZFXXBDCQ-UHFFFAOYSA-N 0 3 352.442 2.188 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000176973839 672378715 /nfs/dbraw/zinc/37/87/15/672378715.db2.gz BAORSOYVHCFGDB-CQSZACIVSA-N 0 3 368.909 2.437 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)C(F)(F)C2(O)CCC2)C1 ZINC000190525186 672643369 /nfs/dbraw/zinc/64/33/69/672643369.db2.gz VJURYLYDKOVDDF-ZDUSSCGKSA-N 0 3 373.469 2.282 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000194169739 672750528 /nfs/dbraw/zinc/75/05/28/672750528.db2.gz CJEUTTYXYAAJFM-OAHLLOKOSA-N 0 3 354.495 2.123 10 0 FEAEHN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H]1CCCN1C ZINC000194731730 672766926 /nfs/dbraw/zinc/76/69/26/672766926.db2.gz GSSRBIRHNANHTK-JKSUJKDBSA-N 0 3 351.878 2.305 10 0 FEAEHN CCCOCc1ccccc1CNC(=O)NC[C@H](O)CN1CCCCC1 ZINC000046337175 540252468 /nfs/dbraw/zinc/25/24/68/540252468.db2.gz MSMQTWAWRWCNIS-IBGZPJMESA-N 0 3 363.502 2.259 10 0 FEAEHN C[C@H](NC(=O)NC[C@@H](O)CN1CCCCC1)c1ccc(OC(F)F)cc1 ZINC000049174763 540384136 /nfs/dbraw/zinc/38/41/36/540384136.db2.gz MAQNAJOPQZNIGU-DZGCQCFKSA-N 0 3 371.428 2.495 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCN([C@H](C)c3cccnc3)CC2)C1 ZINC000247373075 549326159 /nfs/dbraw/zinc/32/61/59/549326159.db2.gz PGRXBLFOURCIPM-LMMKCTJWSA-N 0 3 359.518 2.199 10 0 FEAEHN COCCCN(CCOC)[C@H](CN)c1cc(Br)cs1 ZINC000042420964 209256377 /nfs/dbraw/zinc/25/63/77/209256377.db2.gz URHKBWNWCCJLMD-GFCCVEGCSA-N 0 3 351.310 2.495 10 0 FEAEHN C[C@@H](CNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)N1CCOCC1 ZINC000067734288 541506564 /nfs/dbraw/zinc/50/65/64/541506564.db2.gz JNYFTLBAKWTYMY-ICSRJNTNSA-N 0 3 374.529 2.061 10 0 FEAEHN CC[C@H](C)C(=O)NCc1nnc2n1CCN(CCCc1ccccc1)CC2 ZINC000012039622 207334720 /nfs/dbraw/zinc/33/47/20/207334720.db2.gz DGXMQANLMUARGJ-KRWDZBQOSA-N 0 3 369.513 2.431 10 0 FEAEHN C[C@H](NC(=O)NCCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCCO1 ZINC000080010489 542558034 /nfs/dbraw/zinc/55/80/34/542558034.db2.gz INYSRQPYJAUVCK-ICSRJNTNSA-N 0 3 374.529 2.456 10 0 FEAEHN CCCCN1CCc2nc[nH]c2C12CCN(c1ncccc1C(N)=O)CC2 ZINC000092022197 132205356 /nfs/dbraw/zinc/20/53/56/132205356.db2.gz RQHCHHXADZBHGK-UHFFFAOYSA-N 0 3 368.485 2.058 10 0 FEAEHN Cc1ccc2c(c1)N(CCC(=O)NCCN1CCCCCC1)C(=O)CO2 ZINC000003907270 132385999 /nfs/dbraw/zinc/38/59/99/132385999.db2.gz IYTFJHANFGOPQX-UHFFFAOYSA-N 0 3 359.470 2.103 10 0 FEAEHN O=S1(=O)CCCN1CCN[C@H]1CCc2c1cccc2Br ZINC000091372828 542805328 /nfs/dbraw/zinc/80/53/28/542805328.db2.gz AOVBZEDZFMQSNJ-AWEZNQCLSA-N 0 3 359.289 2.062 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000092765257 542886408 /nfs/dbraw/zinc/88/64/08/542886408.db2.gz NEWROUYHBKMUND-NVXWUHKLSA-N 0 3 354.458 2.221 10 0 FEAEHN O=C(C1CCN(c2ccncc2)CC1)N1CCN(c2ccccn2)CC1 ZINC000033128964 136117412 /nfs/dbraw/zinc/11/74/12/136117412.db2.gz LWMSUEFFFACPDC-UHFFFAOYSA-N 0 3 351.454 2.042 10 0 FEAEHN Cc1ccc(OC[C@H](O)CN(C)[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000106076809 543190849 /nfs/dbraw/zinc/19/08/49/543190849.db2.gz GFYIZMBHNDMGLQ-QZTJIDSGSA-N 0 3 356.470 2.126 10 0 FEAEHN CC[C@H]1CN(Cc2cc(Cl)c3c(c2)OCCO3)CCN1C[C@@H](C)O ZINC000106103814 543197393 /nfs/dbraw/zinc/19/73/93/543197393.db2.gz KMCHNXZPYQPQRB-HIFRSBDPSA-N 0 3 354.878 2.388 10 0 FEAEHN CC(C)n1ccnc1CS(=O)(=O)C(C)C(=O)NCc1ccc(F)cc1 ZINC000107075559 543261367 /nfs/dbraw/zinc/26/13/67/543261367.db2.gz XUAMFNYPQGCWGO-CYBMUJFWSA-N 0 3 367.446 2.223 10 0 FEAEHN CCc1noc([C@@H](C)N2CCN(C(=O)c3ccc(CN(C)C)cc3)CC2)n1 ZINC000112035610 543427725 /nfs/dbraw/zinc/42/77/25/543427725.db2.gz HXBWLQATWCPBAH-OAHLLOKOSA-N 0 3 371.485 2.213 10 0 FEAEHN Cc1nc(NC(=O)[C@@H](C)N[C@H]2CCc3nc(C(C)C)nn3C2)sc1C ZINC000112551617 543452036 /nfs/dbraw/zinc/45/20/36/543452036.db2.gz VNPLPUXZNGBQQE-YPMHNXCESA-N 0 3 362.503 2.406 10 0 FEAEHN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)NCCn2cc(C)cn2)c1 ZINC000112552227 543452080 /nfs/dbraw/zinc/45/20/80/543452080.db2.gz COLBSWSVBUEHQL-LSDHHAIUSA-N 0 3 360.458 2.064 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000113233498 543479176 /nfs/dbraw/zinc/47/91/76/543479176.db2.gz NWRGJORTKULULO-GOEBONIOSA-N 0 3 351.491 2.329 10 0 FEAEHN CC(C)COC(=O)N1CCC(C(=O)N2C[C@H]3CCCN3C[C@H]2C)CC1 ZINC000113225883 543477880 /nfs/dbraw/zinc/47/78/80/543477880.db2.gz DLCUKWONIOYEJG-NVXWUHKLSA-N 0 3 351.491 2.186 10 0 FEAEHN Cc1ccc(-n2cnnc2SCC(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1 ZINC000113227600 543478571 /nfs/dbraw/zinc/47/85/71/543478571.db2.gz GAQUWNYVWRIXCL-DOTOQJQBSA-N 0 3 371.510 2.363 10 0 FEAEHN O=C(c1csc(I)c1)N1CCN2CCC[C@@H]2C1 ZINC000113427030 543488217 /nfs/dbraw/zinc/48/82/17/543488217.db2.gz ILCRDQHODWQMTQ-SNVBAGLBSA-N 0 3 362.236 2.273 10 0 FEAEHN CC(=O)N[C@H]1CCCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000113625929 543493470 /nfs/dbraw/zinc/49/34/70/543493470.db2.gz ATHUCKNJPIVSIN-YJBOKZPZSA-N 0 3 360.502 2.426 10 0 FEAEHN COCc1ccc(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)cc1 ZINC000114413945 543514567 /nfs/dbraw/zinc/51/45/67/543514567.db2.gz GMGGZCVULBECLI-UHFFFAOYSA-N 0 3 368.481 2.252 10 0 FEAEHN CCC[C@H](C)CS(=O)(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000114495983 543521213 /nfs/dbraw/zinc/52/12/13/543521213.db2.gz YKYTYAVOCALGKZ-INIZCTEOSA-N 0 3 368.547 2.031 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCN([C@@H](C)c2cccnc2)CC1 ZINC000114823728 543538213 /nfs/dbraw/zinc/53/82/13/543538213.db2.gz ABRCEZBBPPZNLB-PKOBYXMFSA-N 0 3 361.534 2.446 10 0 FEAEHN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000115389934 543564948 /nfs/dbraw/zinc/56/49/48/543564948.db2.gz WZNLZMSFEUJJQJ-UHFFFAOYSA-N 0 3 369.513 2.057 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC000247472596 549338798 /nfs/dbraw/zinc/33/87/98/549338798.db2.gz VKQUCRKREHARRP-BHIYHBOVSA-N 0 3 357.498 2.384 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCN(c3ccc(F)cc3OC)CC2)C1 ZINC000115807079 543587378 /nfs/dbraw/zinc/58/73/78/543587378.db2.gz XONPLOANSFZWAP-MRXNPFEDSA-N 0 3 364.465 2.150 10 0 FEAEHN CCCCCOc1ccc(S(=O)(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000116900536 543619275 /nfs/dbraw/zinc/61/92/75/543619275.db2.gz SNVIHIAMNVEAJE-QGZVFWFLSA-N 0 3 370.515 2.207 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCC(OC[C@H]3CCCO3)CC2)C1 ZINC000247486535 549342632 /nfs/dbraw/zinc/34/26/32/549342632.db2.gz WOFZOWDRIZQQCR-NXHRZFHOSA-N 0 3 353.507 2.085 10 0 FEAEHN CN1C(=O)C[C@@H](C(=O)NC2CCN(C3CC3)CC2)[C@H]1c1ccc(F)cc1 ZINC000127405003 543991026 /nfs/dbraw/zinc/99/10/26/543991026.db2.gz OEVYRQORVNGAOG-IEBWSBKVSA-N 0 3 359.445 2.088 10 0 FEAEHN COc1ccc(OCc2ccccn2)c(CN2CCO[C@@H](CN(C)C)C2)c1 ZINC000128195743 544038209 /nfs/dbraw/zinc/03/82/09/544038209.db2.gz LRKPGMLZWZJDHC-FQEVSTJZSA-N 0 3 371.481 2.432 10 0 FEAEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)c1ccnc(C(N)=O)c1 ZINC000132143650 544220649 /nfs/dbraw/zinc/22/06/49/544220649.db2.gz LWSDCVPLWDUXNM-HXUWFJFHSA-N 0 3 368.481 2.062 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1cccnc1OCC(F)F ZINC000134629142 544316027 /nfs/dbraw/zinc/31/60/27/544316027.db2.gz MQVUETAZOXRIAP-CQSZACIVSA-N 0 3 356.417 2.351 10 0 FEAEHN CCN1CCC[C@H]1CN(C)[C@H](C(=O)OC)c1cc(OC)cc(OC)c1 ZINC000137817849 544393138 /nfs/dbraw/zinc/39/31/38/544393138.db2.gz VRUAMSCHSPOXPA-YJBOKZPZSA-N 0 3 350.459 2.334 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1 ZINC000150869422 544480905 /nfs/dbraw/zinc/48/09/05/544480905.db2.gz MEYDHVUCYYYMFS-OAHLLOKOSA-N 0 3 371.478 2.318 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000247518114 549349106 /nfs/dbraw/zinc/34/91/06/549349106.db2.gz YWUSLIOPHDJMBR-IAQYHMDHSA-N 0 3 373.906 2.170 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000247523651 549349951 /nfs/dbraw/zinc/34/99/51/549349951.db2.gz WYGPHFBUPFDXRT-PHXBYCTMSA-N 0 3 355.482 2.291 10 0 FEAEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)[C@H]1CCCCO1 ZINC000152540900 544665761 /nfs/dbraw/zinc/66/57/61/544665761.db2.gz UUGLKBYSYWOUSH-VQTJNVASSA-N 0 3 360.498 2.460 10 0 FEAEHN C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000154504680 544914528 /nfs/dbraw/zinc/91/45/28/544914528.db2.gz BTPUEUFCHOCZPD-VNHYZAJKSA-N 0 3 365.499 2.076 10 0 FEAEHN CCOCCN1CCN(C[C@H](O)COCc2ccccc2Cl)C[C@@H]1C ZINC000155091553 544987681 /nfs/dbraw/zinc/98/76/81/544987681.db2.gz AWFDSXGTGLIBCC-WMZOPIPTSA-N 0 3 370.921 2.260 10 0 FEAEHN CC(C)CCOc1ccc([C@H](C)NCc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000181734423 327744159 /nfs/dbraw/zinc/74/41/59/327744159.db2.gz VZMKKGBPLKUIHQ-HNNXBMFYSA-N 0 3 359.470 2.360 10 0 FEAEHN CC(=O)N1CCC(NC(=O)CN[C@H]2c3ccccc3CCC2(C)C)CC1 ZINC000183131646 327803110 /nfs/dbraw/zinc/80/31/10/327803110.db2.gz FDEJRDGHRUJPNM-FQEVSTJZSA-N 0 3 357.498 2.417 10 0 FEAEHN C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)CN1C1CC1 ZINC000188337668 328081421 /nfs/dbraw/zinc/08/14/21/328081421.db2.gz IONAYHHPOHCZII-RMRHIDDWSA-N 0 3 355.454 2.075 10 0 FEAEHN COCCOc1cc(OC)ccc1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000188568637 328095918 /nfs/dbraw/zinc/09/59/18/328095918.db2.gz CSZFLUGGEZSAFU-PBHICJAKSA-N 0 3 350.459 2.179 10 0 FEAEHN Cc1cccc2nc(C3CCN(C[C@H](O)CN4CCCC4=O)CC3)oc21 ZINC000189814431 328169610 /nfs/dbraw/zinc/16/96/10/328169610.db2.gz NNJIJSAXDLUBLY-INIZCTEOSA-N 0 3 357.454 2.299 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000190080476 328186330 /nfs/dbraw/zinc/18/63/30/328186330.db2.gz RGWDNYUMXUXAIR-GOEBONIOSA-N 0 3 372.469 2.037 10 0 FEAEHN CSc1c(F)cc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1F ZINC000190086662 328187278 /nfs/dbraw/zinc/18/72/78/328187278.db2.gz XLVRLDBYEBXLCD-CMPLNLGQSA-N 0 3 369.437 2.320 10 0 FEAEHN CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)c(F)c1 ZINC000190104427 328188362 /nfs/dbraw/zinc/18/83/62/328188362.db2.gz WZFBEQIEGRKXEA-ZIAGYGMSSA-N 0 3 363.433 2.247 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000190345903 328201788 /nfs/dbraw/zinc/20/17/88/328201788.db2.gz ZEGUUJJTXMYSSE-IAGOWNOFSA-N 0 3 354.454 2.202 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(-c2ncco2)c1 ZINC000190350517 328201947 /nfs/dbraw/zinc/20/19/47/328201947.db2.gz PDIHOIAMEAKWNL-IAGOWNOFSA-N 0 3 368.437 2.365 10 0 FEAEHN CC(=O)N1C[C@H](O)C[C@@H]1c1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000190358891 328202638 /nfs/dbraw/zinc/20/26/38/328202638.db2.gz XTHLQDDBPADIOE-QZTJIDSGSA-N 0 3 370.453 2.377 10 0 FEAEHN CC(C)[C@H](C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1)N1CCCC1=O ZINC000190616634 328219928 /nfs/dbraw/zinc/21/99/28/328219928.db2.gz KRRODLBZKROPPH-AZUAARDMSA-N 0 3 372.513 2.009 10 0 FEAEHN CN(C)c1ccc(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)cn1 ZINC000190640394 328221162 /nfs/dbraw/zinc/22/11/62/328221162.db2.gz MXNRVVBBOKWXEK-QGZVFWFLSA-N 0 3 353.470 2.137 10 0 FEAEHN CCCc1cnc(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)s1 ZINC000190659833 328222912 /nfs/dbraw/zinc/22/29/12/328222912.db2.gz YHSCHUSUSHAFTD-CYBMUJFWSA-N 0 3 352.504 2.271 10 0 FEAEHN CCCOc1ccc(CNC(=O)NC[C@@H](O)CN2CCCCC2)c(C)c1 ZINC000191729672 328279040 /nfs/dbraw/zinc/27/90/40/328279040.db2.gz FQTUWKNGYBBJQH-GOSISDBHSA-N 0 3 363.502 2.430 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)CCc2ccccc2)C1 ZINC000192938944 328347634 /nfs/dbraw/zinc/34/76/34/328347634.db2.gz RMQYVRZNEXMDQE-FQEVSTJZSA-N 0 3 373.522 2.408 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cnn(C2CCCC2)c1C ZINC000193421120 328374351 /nfs/dbraw/zinc/37/43/51/328374351.db2.gz LNGVVSSYURKUII-MRXNPFEDSA-N 0 3 361.490 2.188 10 0 FEAEHN C[C@H]1[NH2+]CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000193451877 328376358 /nfs/dbraw/zinc/37/63/58/328376358.db2.gz LDPXRGVNDGSYAY-KCJUWKMLSA-N 0 3 351.241 2.007 10 0 FEAEHN CCC[C@@H](N)C(=O)N1CCN(Cc2csc([C@H](C)OCC)n2)CC1 ZINC000236923137 328498346 /nfs/dbraw/zinc/49/83/46/328498346.db2.gz KSUDEDRMMOEBNU-DZGCQCFKSA-N 0 3 354.520 2.012 10 0 FEAEHN CCc1nc2cc(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)ccc2o1 ZINC000077726340 325009429 /nfs/dbraw/zinc/00/94/29/325009429.db2.gz HELSLTOMXAOHAY-CQSZACIVSA-N 0 3 360.458 2.421 10 0 FEAEHN Cc1nc(CN2CCN(C(=O)N[C@H](CC(C)C)CN(C)C)CC2)cs1 ZINC000079495160 325093068 /nfs/dbraw/zinc/09/30/68/325093068.db2.gz JQVWQMVSSVPBAK-MRXNPFEDSA-N 0 3 367.563 2.255 10 0 FEAEHN Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000083711007 325222634 /nfs/dbraw/zinc/22/26/34/325222634.db2.gz DAFGTNFKXWDNSQ-QZTJIDSGSA-N 0 3 368.485 2.385 10 0 FEAEHN CN(C)C[C@@H]1CN(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)CCO1 ZINC000107304871 325623892 /nfs/dbraw/zinc/62/38/92/325623892.db2.gz PSRZCUNOGOFZAM-CTNGQTDRSA-N 0 3 359.514 2.297 10 0 FEAEHN CNc1cc(N2CCC[C@H]2CNCc2cc(OC)ccc2OC)ncn1 ZINC000109070098 325657987 /nfs/dbraw/zinc/65/79/87/325657987.db2.gz XIYVVOCMYHNDMC-HNNXBMFYSA-N 0 3 357.458 2.294 10 0 FEAEHN CC(C)n1nccc1NC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000109352753 325666017 /nfs/dbraw/zinc/66/60/17/325666017.db2.gz ZLPSLYYHESHWPX-UHFFFAOYSA-N 0 3 359.478 2.289 10 0 FEAEHN O=C(NCC1CCN(CCO)CC1)Nc1cccc(N2CCCCC2=O)c1 ZINC000111722436 325731707 /nfs/dbraw/zinc/73/17/07/325731707.db2.gz UYLIPLQZYRXJLX-UHFFFAOYSA-N 0 3 374.485 2.029 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CCO1 ZINC000116787323 326035262 /nfs/dbraw/zinc/03/52/62/326035262.db2.gz XBCSHQLWVSRYPM-OAGGEKHMSA-N 0 3 367.287 2.342 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2[nH]c3ccccc3c2Br)CCO1 ZINC000116793442 326035566 /nfs/dbraw/zinc/03/55/66/326035566.db2.gz GMTITOHXAYINNJ-NSHDSACASA-N 0 3 366.259 2.333 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2cc3c(cccc3Br)[nH]2)CCO1 ZINC000116795355 326036375 /nfs/dbraw/zinc/03/63/75/326036375.db2.gz HOEOMVQSFSWACK-LLVKDONJSA-N 0 3 366.259 2.333 10 0 FEAEHN Cc1cc(Br)ccc1CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000117048746 326048769 /nfs/dbraw/zinc/04/87/69/326048769.db2.gz KNGMCKGIUCNAOZ-HNNXBMFYSA-N 0 3 370.291 2.230 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc(N2CCOCC2)nc1C ZINC000119055821 326122543 /nfs/dbraw/zinc/12/25/43/326122543.db2.gz RZQVBHVFIUJODI-INIZCTEOSA-N 0 3 361.490 2.175 10 0 FEAEHN C[C@H](NCCOc1ccc(S(N)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000119688571 326188099 /nfs/dbraw/zinc/18/80/99/326188099.db2.gz VBFYAWSYKOIQMF-NSHDSACASA-N 0 3 356.394 2.342 10 0 FEAEHN CC(C)N1CCO[C@H](CN2CCN(Cc3cccc4[nH]ccc43)CC2)C1 ZINC000121071520 326311427 /nfs/dbraw/zinc/31/14/27/326311427.db2.gz JRKFTHNVVQXYTR-LJQANCHMSA-N 0 3 356.514 2.395 10 0 FEAEHN Cc1cccc(NC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)n1 ZINC000122147970 326385645 /nfs/dbraw/zinc/38/56/45/326385645.db2.gz VCOGDNZNWYPJPG-UHFFFAOYSA-N 0 3 354.458 2.201 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](NC(=O)N(CCN(C)C)Cc1ccco1)CC2 ZINC000129395240 326539696 /nfs/dbraw/zinc/53/96/96/326539696.db2.gz RKKBYOJVHKJXFQ-OAHLLOKOSA-N 0 3 374.489 2.083 10 0 FEAEHN C[C@H](OC[C@@H](O)CN1CCO[C@H](CN(C)C)C1)c1ccc(Cl)cc1 ZINC000155285953 326783522 /nfs/dbraw/zinc/78/35/22/326783522.db2.gz SSRFYXJVBVHEQE-JCGIZDLHSA-N 0 3 356.894 2.041 10 0 FEAEHN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCO[C@@H](CN(C)C)C1 ZINC000246234083 328601316 /nfs/dbraw/zinc/60/13/16/328601316.db2.gz CPFPRKXNQZPRDX-WFASDCNBSA-N 0 3 370.291 2.039 10 0 FEAEHN CC(C)[C@H](O)CC(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000162051669 327015816 /nfs/dbraw/zinc/01/58/16/327015816.db2.gz PWMOALKTJILIKU-WOJBJXKFSA-N 0 3 362.514 2.297 10 0 FEAEHN CC[C@H]1CN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CCN1C[C@@H](C)O ZINC000163405690 327050939 /nfs/dbraw/zinc/05/09/39/327050939.db2.gz WNAKSUAAJJYFRD-ZBFHGGJFSA-N 0 3 372.469 2.003 10 0 FEAEHN Cc1cc(S(=O)(=O)[N-]CC[C@H]2CCC[NH2+]2)sc1Br ZINC000166800182 327083208 /nfs/dbraw/zinc/08/32/08/327083208.db2.gz WMYQEVYNIWCAJM-SECBINFHSA-N 0 3 353.307 2.239 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N2CC[C@H](N(C)C)C2)c(OCC(F)(F)F)c1 ZINC000170843253 327102230 /nfs/dbraw/zinc/10/22/30/327102230.db2.gz DHTGMDWILGEDBI-LBPRGKRZSA-N 0 3 373.375 2.037 10 0 FEAEHN Cc1cc(NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)ccc1Oc1cccnc1 ZINC000170843100 327102236 /nfs/dbraw/zinc/10/22/36/327102236.db2.gz SJILLPICDJCSSZ-MRXNPFEDSA-N 0 3 368.437 2.283 10 0 FEAEHN CCn1c(SCC(=O)N2CC[C@H](N(C)C)C2)nnc1-c1cccs1 ZINC000170861142 327103236 /nfs/dbraw/zinc/10/32/36/327103236.db2.gz ZLXKKNDNEJMSGA-LBPRGKRZSA-N 0 3 365.528 2.281 10 0 FEAEHN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N3CC[C@H](N(C)C)C3)C2)c1 ZINC000170865261 327103683 /nfs/dbraw/zinc/10/36/83/327103683.db2.gz MQLKYGZQPDSLPB-MJGOQNOKSA-N 0 3 357.498 2.318 10 0 FEAEHN Cc1ccc(I)c(C(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000170868196 327103971 /nfs/dbraw/zinc/10/39/71/327103971.db2.gz SFAYQJSFMQPDDZ-NSHDSACASA-N 0 3 358.223 2.376 10 0 FEAEHN O=C1c2ccccc2C(=O)N1C[C@H](O)CNC1(c2ccccc2)CCC1 ZINC000170907154 327106806 /nfs/dbraw/zinc/10/68/06/327106806.db2.gz YCERHDJYJOIRDI-MRXNPFEDSA-N 0 3 350.418 2.313 10 0 FEAEHN C[C@@H](O)CN1CCN(Cc2cc3c(c(Br)c2)OCO3)C[C@@H]1C ZINC000170936481 327108229 /nfs/dbraw/zinc/10/82/29/327108229.db2.gz MSORWJBWAQXYSZ-NWDGAFQWSA-N 0 3 371.275 2.065 10 0 FEAEHN Cc1c(C(=O)N2CCN3CCC[C@H]3C2)nnn1-c1ccc(OC(C)C)cc1 ZINC000170999066 327111463 /nfs/dbraw/zinc/11/14/63/327111463.db2.gz BUMFZYFXSYVBST-KRWDZBQOSA-N 0 3 369.469 2.283 10 0 FEAEHN Cc1c(C(=O)N2CCN3CCC[C@@H]3C2)nnn1-c1ccc2ncccc2c1 ZINC000170999052 327111505 /nfs/dbraw/zinc/11/15/05/327111505.db2.gz NDROVKARFIWUPI-QGZVFWFLSA-N 0 3 362.437 2.044 10 0 FEAEHN Cc1ccc(CN2CCCN(C(=O)CN3CCS[C@H](C)C3)CC2)cc1 ZINC000171689178 327155100 /nfs/dbraw/zinc/15/51/00/327155100.db2.gz CIURLKLBPKBLQP-GOSISDBHSA-N 0 3 361.555 2.467 10 0 FEAEHN CCN1CCN(c2ccccc2NC(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000171807569 327162819 /nfs/dbraw/zinc/16/28/19/327162819.db2.gz MAELXODYFFZSSK-KRWDZBQOSA-N 0 3 357.502 2.140 10 0 FEAEHN O=C(NCc1ccc(N2CCCCCC2)nc1)N1CCN2CCC[C@H]2C1 ZINC000171900451 327168783 /nfs/dbraw/zinc/16/87/83/327168783.db2.gz FALQEAUDROONAV-SFHVURJKSA-N 0 3 357.502 2.452 10 0 FEAEHN O=C(NCc1cc(Cl)c2c(c1)OCCO2)N1CCN2CCC[C@@H]2C1 ZINC000171902182 327168839 /nfs/dbraw/zinc/16/88/39/327168839.db2.gz FJNLXACQPAYURQ-CYBMUJFWSA-N 0 3 351.834 2.101 10 0 FEAEHN COc1ccc(C2(CNC(=O)N3CCN4CCC[C@H]4C3)CCOCC2)cc1 ZINC000171904454 327169042 /nfs/dbraw/zinc/16/90/42/327169042.db2.gz IONXDIAFSRIAES-SFHVURJKSA-N 0 3 373.497 2.233 10 0 FEAEHN Cc1c(Cl)cccc1NC(=O)CCNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171906229 327169329 /nfs/dbraw/zinc/16/93/29/327169329.db2.gz NWHVDYAMKRXVTK-CQSZACIVSA-N 0 3 364.877 2.467 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@H](C)C(=O)Nc1ccc(N(C)C)cc1)CC2 ZINC000171984966 327174618 /nfs/dbraw/zinc/17/46/18/327174618.db2.gz QJKPSSZXCLUTAK-ZBFHGGJFSA-N 0 3 370.501 2.399 10 0 FEAEHN O=C(NCC1CCN(C[C@H](O)c2ccccc2)CC1)[C@H](O)c1ccccc1 ZINC000173468121 327259406 /nfs/dbraw/zinc/25/94/06/327259406.db2.gz DKSZTFJRFAZMJK-LEWJYISDSA-N 0 3 368.477 2.282 10 0 FEAEHN Cc1nc(C)c(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)o1 ZINC000173467954 327259500 /nfs/dbraw/zinc/25/95/00/327259500.db2.gz FOJDUSNYLZSBBU-GOSISDBHSA-N 0 3 357.454 2.467 10 0 FEAEHN COCCN1CCC[C@H]1CNC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173494489 327261310 /nfs/dbraw/zinc/26/13/10/327261310.db2.gz QCWJMGHOZYHHSI-CVEARBPZSA-N 0 3 366.531 2.451 10 0 FEAEHN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000173522923 327263547 /nfs/dbraw/zinc/26/35/47/327263547.db2.gz NRTQPIAIDSMHNO-INIZCTEOSA-N 0 3 362.861 2.237 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000173727514 327279450 /nfs/dbraw/zinc/27/94/50/327279450.db2.gz PDRSZWNOLNWXSG-ZIAGYGMSSA-N 0 3 369.462 2.031 10 0 FEAEHN CC(C)N1CCO[C@@H](CN2CCN(c3ccnc4ccccc43)CC2)C1 ZINC000174738832 327347226 /nfs/dbraw/zinc/34/72/26/327347226.db2.gz TWZDPXCIBYVEOO-SFHVURJKSA-N 0 3 354.498 2.466 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000175223329 327381257 /nfs/dbraw/zinc/38/12/57/327381257.db2.gz QCDNYDVAFNEIJM-HNNXBMFYSA-N 0 3 374.453 2.380 10 0 FEAEHN C[C@H](NC(=O)NCc1ccccc1CN1CCC(O)CC1)[C@@H]1CCCO1 ZINC000175857440 327417983 /nfs/dbraw/zinc/41/79/83/327417983.db2.gz ITEDAWGXDXFOSN-KXBFYZLASA-N 0 3 361.486 2.010 10 0 FEAEHN CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176604243 327465770 /nfs/dbraw/zinc/46/57/70/327465770.db2.gz IEGXTXHFPDYIRH-INIZCTEOSA-N 0 3 360.437 2.026 10 0 FEAEHN CC(C)c1ccc([C@@H](C)NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)cc1 ZINC000178757757 327605120 /nfs/dbraw/zinc/60/51/20/327605120.db2.gz NQINWTCKEIPXDM-OAHLLOKOSA-N 0 3 371.485 2.384 10 0 FEAEHN C[C@@H]1CN(c2ccc(N[C@@H]3CCC[C@@H]3[C@H]3COCCN3)cn2)C[C@H](C)O1 ZINC000261900577 328828018 /nfs/dbraw/zinc/82/80/18/328828018.db2.gz HQSYQRNQFCIXPB-BSWVEEBUSA-N 0 3 360.502 2.264 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2ccsc2NC(=O)c2ccco2)n1 ZINC000263149342 328920043 /nfs/dbraw/zinc/92/00/43/328920043.db2.gz CYNBPPXSYDCGME-NSHDSACASA-N 0 3 359.411 2.220 10 0 FEAEHN CN(C)[C@H](c1nc([C@H]2CNCCN2C)no1)c1c(F)cccc1Cl ZINC000263284669 328930301 /nfs/dbraw/zinc/93/03/01/328930301.db2.gz UUPMPQBRVBXFTK-OCCSQVGLSA-N 0 3 353.829 2.089 10 0 FEAEHN CN(C)[C@@H](CNc1cc(N2CCC[C@H]2CO)ncn1)c1ccc(F)cc1 ZINC000264703461 329050828 /nfs/dbraw/zinc/05/08/28/329050828.db2.gz QTOZSUQQDQYRAG-IRXDYDNUSA-N 0 3 359.449 2.292 10 0 FEAEHN CN1CCC(C(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)CC1 ZINC000275567154 523748672 /nfs/dbraw/zinc/74/86/72/523748672.db2.gz IPGQSKXGEFGDNJ-KRWDZBQOSA-N 0 3 358.486 2.003 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)CSCC(=O)Nc2ccc(F)cc2)C1 ZINC000155335400 545514096 /nfs/dbraw/zinc/51/40/96/545514096.db2.gz YRYATXOWJWSXRN-CJNGLKHVSA-N 0 3 367.490 2.342 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000155377743 545519822 /nfs/dbraw/zinc/51/98/22/545519822.db2.gz CXAVQELWCJDSQD-RLLQIKCJSA-N 0 3 371.525 2.313 10 0 FEAEHN CCOCCN1CCN(CCC(=O)Nc2ccc(C(C)=O)cc2)C[C@H]1C ZINC000247567496 549359176 /nfs/dbraw/zinc/35/91/76/549359176.db2.gz GTXNUXNKEZVUBI-MRXNPFEDSA-N 0 3 361.486 2.260 10 0 FEAEHN Cc1ccc(CCC(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000159254430 545936052 /nfs/dbraw/zinc/93/60/52/545936052.db2.gz GFHXAZKVWNUWLF-NRFANRHFSA-N 0 3 352.478 2.463 10 0 FEAEHN C[C@H](Oc1cccc(F)c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000159273566 545938623 /nfs/dbraw/zinc/93/86/23/545938623.db2.gz PTAKYPZQRUEVQQ-KXBFYZLASA-N 0 3 372.440 2.128 10 0 FEAEHN CC[C@@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)Oc1ccccc1Cl ZINC000176001387 546388956 /nfs/dbraw/zinc/38/89/56/546388956.db2.gz AWTJTMGUGVLTRK-LSDHHAIUSA-N 0 3 369.893 2.469 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000176362449 546436151 /nfs/dbraw/zinc/43/61/51/546436151.db2.gz KKWBZBYKJRXABS-OAHLLOKOSA-N 0 3 354.476 2.006 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC000176383965 546438134 /nfs/dbraw/zinc/43/81/34/546438134.db2.gz XQWYEJMNCQBJAZ-GFCCVEGCSA-N 0 3 374.411 2.033 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC000176383988 546438535 /nfs/dbraw/zinc/43/85/35/546438535.db2.gz XQWYEJMNCQBJAZ-LBPRGKRZSA-N 0 3 374.411 2.033 10 0 FEAEHN CC(C)OCCN1CCC(NC(=O)N2CCC[C@H]2c2cnn(C)c2)CC1 ZINC000176616511 546468428 /nfs/dbraw/zinc/46/84/28/546468428.db2.gz BKKAUCZUIOIQAY-SFHVURJKSA-N 0 3 363.506 2.156 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(Br)c1 ZINC000176900475 546504251 /nfs/dbraw/zinc/50/42/51/546504251.db2.gz GWYJZIHQTNCXIP-AWEZNQCLSA-N 0 3 368.275 2.330 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc(Br)c1 ZINC000176900455 546504331 /nfs/dbraw/zinc/50/43/31/546504331.db2.gz GWYJZIHQTNCXIP-CQSZACIVSA-N 0 3 368.275 2.330 10 0 FEAEHN O=C(CCN1CC[C@@H](N2CCOCC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000177157768 546558576 /nfs/dbraw/zinc/55/85/76/546558576.db2.gz FQEJZNYQKPCAAL-MRXNPFEDSA-N 0 3 371.403 2.441 10 0 FEAEHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@@H]1CCCn2ncnc21 ZINC000177308145 546591298 /nfs/dbraw/zinc/59/12/98/546591298.db2.gz GCWSXYMJCGURBH-DLBZAZTESA-N 0 3 354.458 2.077 10 0 FEAEHN C[C@H](N[C@H]1Cc2ccccc2[C@@H]1O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177344250 546597914 /nfs/dbraw/zinc/59/79/14/546597914.db2.gz KHTYJMKVDATCBB-AGRHKRQWSA-N 0 3 360.479 2.246 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)N[C@@H]1CCCn2ncnc21)c1ccccc1 ZINC000177356997 546600705 /nfs/dbraw/zinc/60/07/05/546600705.db2.gz BYOSRFWTJZTUHF-IAGOWNOFSA-N 0 3 356.474 2.495 10 0 FEAEHN CCc1cc(C(=O)N(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)[nH]n1 ZINC000177462771 546623956 /nfs/dbraw/zinc/62/39/56/546623956.db2.gz NYNHFEFWPXKEAQ-HXUWFJFHSA-N 0 3 370.497 2.490 10 0 FEAEHN O=C(Nc1cccc(Oc2ccccn2)c1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177688768 546667630 /nfs/dbraw/zinc/66/76/30/546667630.db2.gz MIKSIIBTXOWFTF-MRXNPFEDSA-N 0 3 366.421 2.119 10 0 FEAEHN Cc1nc(C)n(C[C@@H]2CCCN(C[C@H](O)COc3ccccc3F)C2)n1 ZINC000178611929 546819814 /nfs/dbraw/zinc/81/98/14/546819814.db2.gz QXWVDBMSIYCZKJ-SJORKVTESA-N 0 3 362.449 2.186 10 0 FEAEHN CC[C@H]1CN(C[C@H](O)COc2ccccc2Cl)CCN1CCOC ZINC000178609274 546819900 /nfs/dbraw/zinc/81/99/00/546819900.db2.gz HTCCQILIDKDCMY-HOTGVXAUSA-N 0 3 356.894 2.122 10 0 FEAEHN COC(=O)c1ccccc1CN(C)C1CCN(CCn2cccn2)CC1 ZINC000179518936 546969438 /nfs/dbraw/zinc/96/94/38/546969438.db2.gz BHKZNNFGZSVPNY-UHFFFAOYSA-N 0 3 356.470 2.266 10 0 FEAEHN CCS(=O)(=O)c1ccc(CNC(=O)N[C@H](CC(C)C)CN(C)C)cc1 ZINC000180776092 547177047 /nfs/dbraw/zinc/17/70/47/547177047.db2.gz OGXOJTFBHYKYIG-MRXNPFEDSA-N 0 3 369.531 2.256 10 0 FEAEHN O=C(NC[C@@H](O)CN1CCCCC1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000181089574 547247259 /nfs/dbraw/zinc/24/72/59/547247259.db2.gz JIPIQPWKYVQAJN-GFCCVEGCSA-N 0 3 367.400 2.469 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)CCOc1ccc(C(N)=O)cc1 ZINC000182062736 547430313 /nfs/dbraw/zinc/43/03/13/547430313.db2.gz ASHSTUDNWOAFLQ-INIZCTEOSA-N 0 3 369.465 2.191 10 0 FEAEHN Cc1cc(N2CCC[C@@H](N[C@@H](C)c3ccc4c(c3)OCCO4)C2=O)n(C)n1 ZINC000182350400 547477031 /nfs/dbraw/zinc/47/70/31/547477031.db2.gz FYQWPXCCNNGSHW-GOEBONIOSA-N 0 3 370.453 2.346 10 0 FEAEHN O=C(NCc1ccccc1N1CCCCC1)NC[C@@H](O)CN1CCCCC1 ZINC000183680441 547700275 /nfs/dbraw/zinc/70/02/75/547700275.db2.gz FZXZZMFSXUSJMY-LJQANCHMSA-N 0 3 374.529 2.323 10 0 FEAEHN COc1cccc([C@@H]2[C@@H](NC(=O)N3CC[C@H](N(C)C)C3)CCN2C2CC2)c1 ZINC000183765080 547716120 /nfs/dbraw/zinc/71/61/20/547716120.db2.gz FSKLSHYFNHZOSO-YSIASYRMSA-N 0 3 372.513 2.319 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NCCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000184679022 547864864 /nfs/dbraw/zinc/86/48/64/547864864.db2.gz KJKJKKUHNCMWCA-AWEZNQCLSA-N 0 3 374.407 2.349 10 0 FEAEHN CC(C)c1nnc2n1C[C@H](N[C@@H](C)CS(=O)(=O)c1ccccc1)CC2 ZINC000186293530 548114210 /nfs/dbraw/zinc/11/42/10/548114210.db2.gz QSCNQQYOFREJFU-LSDHHAIUSA-N 0 3 362.499 2.168 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Cc2nc(-c3ccc(F)cc3)cs2)CCO1 ZINC000186578684 548154450 /nfs/dbraw/zinc/15/44/50/548154450.db2.gz BBYJRPNUKQTTKZ-HNNXBMFYSA-N 0 3 363.458 2.281 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)N2CCN3CCC[C@@H]3C2)[C@@H]1Oc1ccccc1 ZINC000187867741 548266770 /nfs/dbraw/zinc/26/67/70/548266770.db2.gz KNEYTLIWNNBNOX-LULLPPNCSA-N 0 3 359.470 2.101 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NC[C@@H](C)N2CCc3sccc3C2)C1 ZINC000194153260 548441903 /nfs/dbraw/zinc/44/19/03/548441903.db2.gz UHLOZQVDYFIBNY-ZBFHGGJFSA-N 0 3 350.532 2.278 10 0 FEAEHN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCN2CCC[C@@H]2C1 ZINC000194270536 548457946 /nfs/dbraw/zinc/45/79/46/548457946.db2.gz FLIRULMZZIARAB-UKRRQHHQSA-N 0 3 351.244 2.059 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN([C@H](C(N)=O)c2ccccc2)C1 ZINC000195251771 548604159 /nfs/dbraw/zinc/60/41/59/548604159.db2.gz XONNSVMMQXJCAZ-QAPCUYQASA-N 0 3 358.511 2.432 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(CC(=O)N2CCc3ccccc32)C1 ZINC000195294443 548614221 /nfs/dbraw/zinc/61/42/21/548614221.db2.gz JGIWHEAPZCLGIC-IBGZPJMESA-N 0 3 364.493 2.425 10 0 FEAEHN O=C(Cn1c2ccccc2nc1-c1cscn1)N1CCN2CCC[C@H]2C1 ZINC000195317787 548620641 /nfs/dbraw/zinc/62/06/41/548620641.db2.gz BPZQEUMRDDVLNG-AWEZNQCLSA-N 0 3 367.478 2.466 10 0 FEAEHN O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000195327213 548624484 /nfs/dbraw/zinc/62/44/84/548624484.db2.gz GAZYATATOULXMZ-IBDYFIJFSA-N 0 3 367.493 2.245 10 0 FEAEHN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1CCN2CCC[C@@H]2C1 ZINC000195333875 548625324 /nfs/dbraw/zinc/62/53/24/548625324.db2.gz CIMWPUJLUPQFMN-GOSISDBHSA-N 0 3 356.445 2.477 10 0 FEAEHN CCC[C@H](N)C(=O)N[C@@H](CC)c1ccccc1OCC(=O)N1CCCC1 ZINC000236907791 548788398 /nfs/dbraw/zinc/78/83/98/548788398.db2.gz ZLIVEVIHGYEDJZ-IRXDYDNUSA-N 0 3 361.486 2.383 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000245416807 548912963 /nfs/dbraw/zinc/91/29/63/548912963.db2.gz IZSOYJSPJTYHCF-VQTJNVASSA-N 0 3 374.529 2.186 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O ZINC000245426949 548916172 /nfs/dbraw/zinc/91/61/72/548916172.db2.gz GUMDWYQQIIXITH-PXNSSMCTSA-N 0 3 370.497 2.158 10 0 FEAEHN CCN1CCC[C@H]1CN(C)[C@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000245470252 548929874 /nfs/dbraw/zinc/92/98/74/548929874.db2.gz MROLKELBWLSWBS-KGLIPLIRSA-N 0 3 350.438 2.278 10 0 FEAEHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000245542072 548942007 /nfs/dbraw/zinc/94/20/07/548942007.db2.gz JRJYFBHHDHDHMI-FZMZJTMJSA-N 0 3 358.408 2.472 10 0 FEAEHN C[C@@H]1CCCCN1CCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000245635022 548962731 /nfs/dbraw/zinc/96/27/31/548962731.db2.gz JDGWWANDVQMZGT-LJHODMEESA-N 0 3 361.461 2.336 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)c2c[nH]c3nccc(Cl)c23)C1 ZINC000245693923 548977467 /nfs/dbraw/zinc/97/74/67/548977467.db2.gz AZAHEVBKBCFNSJ-CMPLNLGQSA-N 0 3 356.879 2.223 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000245921951 549020204 /nfs/dbraw/zinc/02/02/04/549020204.db2.gz XBAJHVWNLYHWNJ-QWRGUYRKSA-N 0 3 354.863 2.074 10 0 FEAEHN CCN(C(=O)[C@H](C)N1C[C@H](N2CCOCC2)[C@@H](C)C1)C1CCCCC1 ZINC000246079901 549046795 /nfs/dbraw/zinc/04/67/95/549046795.db2.gz FDELRYVDFUSQFT-LNLFQRSKSA-N 0 3 351.535 2.209 10 0 FEAEHN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CCN3CCC[C@H]3C1)CC2 ZINC000246076727 549046884 /nfs/dbraw/zinc/04/68/84/549046884.db2.gz FSGFQTBZXHLCOZ-OLZOCXBDSA-N 0 3 368.403 2.215 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cccc(OC(F)F)c2)C1 ZINC000246334535 549108495 /nfs/dbraw/zinc/10/84/95/549108495.db2.gz GOFSPCNBJPQAIH-BXUZGUMPSA-N 0 3 355.385 2.071 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cc(F)c(F)cc2Cl)C1 ZINC000246373933 549117796 /nfs/dbraw/zinc/11/77/96/549117796.db2.gz JJCSYXLCIIPMJS-YMTOWFKASA-N 0 3 359.804 2.402 10 0 FEAEHN C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCO[C@@H](CN(C)C)C1 ZINC000246389792 549121852 /nfs/dbraw/zinc/12/18/52/549121852.db2.gz PFRLGFZFVWUJBG-DOMZBBRYSA-N 0 3 359.392 2.295 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000246431644 549131915 /nfs/dbraw/zinc/13/19/15/549131915.db2.gz NEUBYQZRSWBBCI-BXUZGUMPSA-N 0 3 357.376 2.489 10 0 FEAEHN C[C@@H]1CN(Cc2ccc(OCc3nccn3C)cc2)C[C@H]1N1CCOCC1 ZINC000246520013 549151989 /nfs/dbraw/zinc/15/19/89/549151989.db2.gz RGKXETYMXORXAF-YLJYHZDGSA-N 0 3 370.497 2.152 10 0 FEAEHN C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCO[C@@H](CN(C)C)C1 ZINC000246698009 549191275 /nfs/dbraw/zinc/19/12/75/549191275.db2.gz JQGSOOVCFKVJGY-KGLIPLIRSA-N 0 3 371.884 2.088 10 0 FEAEHN C[C@H](c1ccc(NC(=O)N2CCN3CCC[C@H]3C2)cc1)N1CCOCC1 ZINC000246809920 549218415 /nfs/dbraw/zinc/21/84/15/549218415.db2.gz ZPTDTWCTRODVLD-APWZRJJASA-N 0 3 358.486 2.392 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000247157588 549292405 /nfs/dbraw/zinc/29/24/05/549292405.db2.gz QHPDMGCKLRWVLG-CABCVRRESA-N 0 3 362.451 2.040 10 0 FEAEHN Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC[C@@H](Cn2cncn2)C1 ZINC000247778023 549379875 /nfs/dbraw/zinc/37/98/75/549379875.db2.gz REQHORAYLLQAMS-ZWKOTPCHSA-N 0 3 355.486 2.346 10 0 FEAEHN CC[C@@H]1CN(C[C@@H](O)COc2c(C)ccc(C)c2C)CCN1C[C@@H](C)O ZINC000247818136 549383994 /nfs/dbraw/zinc/38/39/94/549383994.db2.gz WOZCTPBSDLQVEP-MISYRCLQSA-N 0 3 364.530 2.129 10 0 FEAEHN O=C(CCN1CCN2CCCC[C@H]2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000248366971 549422688 /nfs/dbraw/zinc/42/26/88/549422688.db2.gz STFQJQKICZMJEJ-FQEVSTJZSA-N 0 3 374.504 2.035 10 0 FEAEHN CC(C)(C)OC(=O)N1CC[C@](C)(CN2CC[C@@H](N3CCOCC3)C2)C1 ZINC000248671621 549481412 /nfs/dbraw/zinc/48/14/12/549481412.db2.gz UFFQPZZWANSLOD-VQIMIIECSA-N 0 3 353.507 2.040 10 0 FEAEHN COC(=O)c1ccc(NC(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c(N(C)C)c1 ZINC000248818905 549507260 /nfs/dbraw/zinc/50/72/60/549507260.db2.gz VDWJVZLDZNSRHT-CZUORRHYSA-N 0 3 362.474 2.389 10 0 FEAEHN C[C@@H]1CN(c2ccnc(C(=O)N3C[C@@H]4CCCN4C[C@@H]3C)c2)C[C@H](C)O1 ZINC000248972394 549532930 /nfs/dbraw/zinc/53/29/30/549532930.db2.gz PSZXWIZKKJTJEZ-CUSZFKRNSA-N 0 3 358.486 2.004 10 0 FEAEHN CC(C)N1CC[C@H](N2CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC2)C1=O ZINC000249042524 549541662 /nfs/dbraw/zinc/54/16/62/549541662.db2.gz NJMGGASKMIIKBR-SJORKVTESA-N 0 3 367.534 2.124 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000249157527 549562417 /nfs/dbraw/zinc/56/24/17/549562417.db2.gz IQQCMPWRDJMFFO-OLMNPRSZSA-N 0 3 359.470 2.418 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1N1CCCC1 ZINC000249166356 549564745 /nfs/dbraw/zinc/56/47/45/549564745.db2.gz KEZMHWJOQJJCFH-SJORKVTESA-N 0 3 370.497 2.311 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000249202226 549568863 /nfs/dbraw/zinc/56/88/63/549568863.db2.gz REMGWOCYSLRKRT-BBRMVZONSA-N 0 3 370.478 2.444 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc2ncccc2c1 ZINC000249232890 549572080 /nfs/dbraw/zinc/57/20/80/549572080.db2.gz VTJPJKZGJXMLLB-SJORKVTESA-N 0 3 352.438 2.259 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@H]2Cc3ccccc3O2)C1 ZINC000251721657 549653041 /nfs/dbraw/zinc/65/30/41/549653041.db2.gz LSHSXESEFBTTJU-FXAWDEMLSA-N 0 3 351.450 2.366 10 0 FEAEHN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)[C@@H](N)C1CCOCC1 ZINC000261892621 549766731 /nfs/dbraw/zinc/76/67/31/549766731.db2.gz VRPQFHFDLUIJMC-SFHVURJKSA-N 0 3 356.470 2.366 10 0 FEAEHN Cc1nc(CCc2nc([C@@H]3CNCCN3C)no2)oc1-c1ccccc1 ZINC000263218789 549886317 /nfs/dbraw/zinc/88/63/17/549886317.db2.gz LLVOHUVXOPUSRE-HNNXBMFYSA-N 0 3 353.426 2.394 10 0 FEAEHN Cn1cc(-c2nc([C@H]3CNCCN3C)no2)c(-c2ccccc2Cl)n1 ZINC000263235352 549888039 /nfs/dbraw/zinc/88/80/39/549888039.db2.gz NZBLCYNPENQQNK-CQSZACIVSA-N 0 3 358.833 2.367 10 0 FEAEHN CC(=O)Nc1ccc(S[C@@H](C)c2nc([C@@H]3CNCCN3C)no2)cc1 ZINC000263239881 549888579 /nfs/dbraw/zinc/88/85/79/549888579.db2.gz OLZZTMYNARJOHD-NHYWBVRUSA-N 0 3 361.471 2.457 10 0 FEAEHN CC(C)c1nc(-c2nc([C@@H]3CNCCN3C)no2)nn1-c1ccccc1F ZINC000263278821 549891406 /nfs/dbraw/zinc/89/14/06/549891406.db2.gz TYLNNEOACUBXBG-AWEZNQCLSA-N 0 3 371.420 2.156 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2cccc(OCc3cccnc3)c2)n1 ZINC000263303488 549893507 /nfs/dbraw/zinc/89/35/07/549893507.db2.gz XLDYRPGLDWCLGM-QGZVFWFLSA-N 0 3 351.410 2.287 10 0 FEAEHN Cc1ccccc1C(=O)N[C@H](c1nc([C@H]2CNCCN2C)no1)C(C)C ZINC000263301620 549893686 /nfs/dbraw/zinc/89/36/86/549893686.db2.gz XDJTUUOXIZHRMG-CVEARBPZSA-N 0 3 357.458 2.081 10 0 FEAEHN O=C([O-])C[N@H+](CC1CC1)C1CC(NCCCc2ccc3c(c2)CCO3)C1 ZINC000263492800 549905021 /nfs/dbraw/zinc/90/50/21/549905021.db2.gz IYDUDFGCQWZCOZ-UHFFFAOYSA-N 0 3 358.482 2.471 10 0 FEAEHN O=C([O-])C[N@@H+](CC1CC1)C1CC(NCCCc2ccc3c(c2)CCO3)C1 ZINC000263492800 549905025 /nfs/dbraw/zinc/90/50/25/549905025.db2.gz IYDUDFGCQWZCOZ-UHFFFAOYSA-N 0 3 358.482 2.471 10 0 FEAEHN C[C@H](C(=O)N1CCCc2ccccc21)N1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000374070903 557818090 /nfs/dbraw/zinc/81/80/90/557818090.db2.gz WJRXFWUJGGOWNI-RARDXLECSA-N 0 3 358.482 2.216 10 0 FEAEHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)/C=C/c1ccccc1 ZINC000110099808 670847136 /nfs/dbraw/zinc/84/71/36/670847136.db2.gz ZLQXNILTQVLGEV-APEZIOSESA-N 0 3 365.543 2.335 10 0 FEAEHN CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000111884991 670862481 /nfs/dbraw/zinc/86/24/81/670862481.db2.gz JHNLBEWHIPVNHM-OAHLLOKOSA-N 0 3 356.511 2.225 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)Nc1cccnc1Cl)CC2 ZINC000112551903 670873438 /nfs/dbraw/zinc/87/34/38/670873438.db2.gz KKTDORBFLBOKHT-RYUDHWBXSA-N 0 3 362.865 2.382 10 0 FEAEHN CC[C@@H]1CN(Cn2ncn(-c3ccccc3)c2=S)CCN1CCOC ZINC000117324750 670914791 /nfs/dbraw/zinc/91/47/91/670914791.db2.gz ZYCNAWQPBKWNFB-MRXNPFEDSA-N 0 3 361.515 2.403 10 0 FEAEHN CC[C@H]1CN(Cn2nc(N3CCCC3)sc2=S)CCN1CCOC ZINC000117324499 670914881 /nfs/dbraw/zinc/91/48/81/670914881.db2.gz LOQNPJIULGHJQC-AWEZNQCLSA-N 0 3 371.576 2.274 10 0 FEAEHN COc1ccccc1-c1nn(CN2CCO[C@@H](CN(C)C)C2)c(=S)o1 ZINC000152996341 672191701 /nfs/dbraw/zinc/19/17/01/672191701.db2.gz AMVWMXNFRVYCGJ-ZDUSSCGKSA-N 0 3 364.471 2.101 10 0 FEAEHN CC(C)CN1CCO[C@H](CNC(=O)CN[C@@H](C)c2cccc(Cl)c2)C1 ZINC000154537558 672218273 /nfs/dbraw/zinc/21/82/73/672218273.db2.gz FGFIWHPGHSHDEJ-MAUKXSAKSA-N 0 3 367.921 2.464 10 0 FEAEHN C[C@H](O)CN1CCC(CN(C)S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000161472294 672297322 /nfs/dbraw/zinc/29/73/22/672297322.db2.gz CACIVFNWXOWHNS-ISBHARSQSA-N 0 3 352.500 2.012 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Nc2cccc(C[S@@](=O)CCOC)c2)C1 ZINC000172111717 672339451 /nfs/dbraw/zinc/33/94/51/672339451.db2.gz GYAHMHQXJSBMAY-NSYGIPOTSA-N 0 3 367.515 2.188 10 0 FEAEHN CCS(=O)(=O)N(C)C1CCN(CCN(C)Cc2ccc(F)cc2)CC1 ZINC000173213891 672348873 /nfs/dbraw/zinc/34/88/73/672348873.db2.gz MQXBNIFJYTXWNG-UHFFFAOYSA-N 0 3 371.522 2.003 10 0 FEAEHN C[C@H](NCCNS(=O)(=O)c1cnn(C)c1)c1ccc2ccccc2c1 ZINC000181498232 672427396 /nfs/dbraw/zinc/42/73/96/672427396.db2.gz UZRRLFUNBDBVPE-AWEZNQCLSA-N 0 3 358.467 2.202 10 0 FEAEHN COCCN1CCN(C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000195168553 672777703 /nfs/dbraw/zinc/77/77/03/672777703.db2.gz RWGMHHNBZGLAON-APWZRJJASA-N 0 3 355.523 2.286 10 0 FEAEHN CO[C@H]1CCN([C@H]2CCC[C@H]2NC(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000888078956 688545334 /nfs/dbraw/zinc/54/53/34/688545334.db2.gz NBUDAHVJVGUWHU-MJBXVCDLSA-N 0 3 357.376 2.472 10 0 FEAEHN CC(C)C(=O)Nc1cccc(NC(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000044082727 540118032 /nfs/dbraw/zinc/11/80/32/540118032.db2.gz KAKSGBNYVZRWSW-QGZVFWFLSA-N 0 3 362.474 2.249 10 0 FEAEHN CC(C)C(=O)Nc1cccc(NC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000044082725 540118218 /nfs/dbraw/zinc/11/82/18/540118218.db2.gz KAKSGBNYVZRWSW-KRWDZBQOSA-N 0 3 362.474 2.249 10 0 FEAEHN Cc1cc(C)n(-c2ccccc2NC(=O)NC[C@H](O)CN2CCCCC2)n1 ZINC000044208448 540119878 /nfs/dbraw/zinc/11/98/78/540119878.db2.gz CWZMIKXATDBOIJ-KRWDZBQOSA-N 0 3 371.485 2.457 10 0 FEAEHN O=C(NC[C@@H](O)CN1CCCCC1)Nc1cccc(NC(=O)C2CC2)c1 ZINC000044087626 540117770 /nfs/dbraw/zinc/11/77/70/540117770.db2.gz VWHOKHCZZIYYOH-QGZVFWFLSA-N 0 3 360.458 2.003 10 0 FEAEHN CN(C)C[C@@H](NC(=O)NCc1nncn1-c1ccccc1)c1ccccc1 ZINC000048217236 540351850 /nfs/dbraw/zinc/35/18/50/540351850.db2.gz LLLYLUMAMRAZQV-GOSISDBHSA-N 0 3 364.453 2.369 10 0 FEAEHN COc1ccccc1C(=O)N[C@@H](C(=O)NC[C@H](C)N(C)C1CC1)C(C)C ZINC000057716381 540811132 /nfs/dbraw/zinc/81/11/32/540811132.db2.gz FXRZTCKHDSXBOJ-KBXCAEBGSA-N 0 3 361.486 2.049 10 0 FEAEHN CC(C)C(=O)NCCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000063463706 541169224 /nfs/dbraw/zinc/16/92/24/541169224.db2.gz QARKKGYUAQLBCU-SFHVURJKSA-N 0 3 360.502 2.113 10 0 FEAEHN C[C@H](CN1CCOCC1)NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000065517322 541242139 /nfs/dbraw/zinc/24/21/39/541242139.db2.gz GTNSCJFKHBHHKA-QUCCMNQESA-N 0 3 374.529 2.061 10 0 FEAEHN Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccn(CCN(C)C)n1)C(C)C ZINC000072052243 541781129 /nfs/dbraw/zinc/78/11/29/541781129.db2.gz QVRCKJDJCSBHRU-GOSISDBHSA-N 0 3 371.485 2.146 10 0 FEAEHN C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccc2ccccc2c1 ZINC000074169262 542047262 /nfs/dbraw/zinc/04/72/62/542047262.db2.gz POALGQQHOZPYRB-HNAYVOBHSA-N 0 3 353.466 2.427 10 0 FEAEHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C[C@H](O)COC(C)(C)C)C1 ZINC000075862521 542211109 /nfs/dbraw/zinc/21/11/09/542211109.db2.gz UFOWGEYNDIJWBY-KGLIPLIRSA-N 0 3 368.440 2.285 10 0 FEAEHN COCCCN(Cc1ccc(OC)c(OC)c1)C[C@@H](O)COC(C)C ZINC000036095906 208146250 /nfs/dbraw/zinc/14/62/50/208146250.db2.gz JJBFJIYFOGSIJE-QGZVFWFLSA-N 0 3 355.475 2.328 10 0 FEAEHN C[C@@H](NC(=O)NCCCCN1CCN(c2ccccc2)CC1)[C@H]1CCCO1 ZINC000080010504 542558248 /nfs/dbraw/zinc/55/82/48/542558248.db2.gz INYSRQPYJAUVCK-UYAOXDASSA-N 0 3 374.529 2.456 10 0 FEAEHN O=S(=O)(c1ccc(N2CCNCC2)cc1)n1ccc2cc(F)ccc21 ZINC000003948968 132377634 /nfs/dbraw/zinc/37/76/34/132377634.db2.gz IJDFGMWOCZUGIA-UHFFFAOYSA-N 0 3 359.426 2.427 10 0 FEAEHN Cc1nccn1-c1cncc(N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000091478873 542810056 /nfs/dbraw/zinc/81/00/56/542810056.db2.gz AMWBGBLBHVFHIC-IYBDPMFKSA-N 0 3 370.501 2.296 10 0 FEAEHN COc1ccc(-n2nc(C(=O)N3C[C@@H]4CCCN4C[C@@H]3C)cc2C)cc1 ZINC000092459000 542864344 /nfs/dbraw/zinc/86/43/44/542864344.db2.gz IISIIICRDDSLEN-RDJZCZTQSA-N 0 3 354.454 2.498 10 0 FEAEHN CN(C)C(=O)COc1ccccc1CN1CCC(c2ccnn2C)CC1 ZINC000092810458 542887781 /nfs/dbraw/zinc/88/77/81/542887781.db2.gz SXDOIBVEZVRVBR-UHFFFAOYSA-N 0 3 356.470 2.267 10 0 FEAEHN COC(=O)CCn1nc(C)c(CN2CCC(c3ccnn3C)CC2)c1C ZINC000092810404 542887945 /nfs/dbraw/zinc/88/79/45/542887945.db2.gz GPGONHCTWTVVJG-UHFFFAOYSA-N 0 3 359.474 2.176 10 0 FEAEHN Cc1ccc(N2CCCN(Cc3cn(C)nc3-c3ccncc3)CC2)nn1 ZINC000093272204 542922633 /nfs/dbraw/zinc/92/26/33/542922633.db2.gz WHWUGVCFHICBJI-UHFFFAOYSA-N 0 3 363.469 2.293 10 0 FEAEHN C[C@H]1Oc2c(cccc2C(=O)N[C@H](CN(C)C)c2ccccc2)NC1=O ZINC000104216810 543125983 /nfs/dbraw/zinc/12/59/83/543125983.db2.gz FWSSLRYWKVSMAG-CXAGYDPISA-N 0 3 353.422 2.439 10 0 FEAEHN COC(=O)c1cccc(OCCN2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000106071668 543189095 /nfs/dbraw/zinc/18/90/95/543189095.db2.gz ZEUNCRQQOLEIOW-UHFFFAOYSA-N 0 3 370.453 2.163 10 0 FEAEHN CCOCCN1CCN(C[C@H](O)COCc2ccc(Cl)cc2)C[C@@H]1C ZINC000106110543 543199978 /nfs/dbraw/zinc/19/99/78/543199978.db2.gz ZGNAVLCZCMQDCC-LPHOPBHVSA-N 0 3 370.921 2.260 10 0 FEAEHN COC(=O)c1cccc(OCCN2CCC(N(C)c3cccnn3)CC2)c1 ZINC000106083083 543192416 /nfs/dbraw/zinc/19/24/16/543192416.db2.gz QRTXCERWMFCNEN-UHFFFAOYSA-N 0 3 370.453 2.243 10 0 FEAEHN C[C@@H](O)CN1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)C[C@H]1C ZINC000106097887 543195205 /nfs/dbraw/zinc/19/52/05/543195205.db2.gz AAEZFYFRRSJKFF-QZTJIDSGSA-N 0 3 359.514 2.200 10 0 FEAEHN CC[C@@H]1CN(Cc2cc(Cl)c3c(c2)OCCO3)CCN1C[C@@H](C)O ZINC000106103812 543196998 /nfs/dbraw/zinc/19/69/98/543196998.db2.gz KMCHNXZPYQPQRB-UKRRQHHQSA-N 0 3 354.878 2.388 10 0 FEAEHN CC(C)C[C@H](C)N(C)C(=O)CN(C)C1CCN(CCn2cccn2)CC1 ZINC000106128762 543205429 /nfs/dbraw/zinc/20/54/29/543205429.db2.gz PEPVRFVPFIXMDF-SFHVURJKSA-N 0 3 363.550 2.172 10 0 FEAEHN CN(C[C@H](O)c1c(F)cccc1F)C1CCN(CCn2cccn2)CC1 ZINC000106128913 543206071 /nfs/dbraw/zinc/20/60/71/543206071.db2.gz PJAOHKDXWILQJV-SFHVURJKSA-N 0 3 364.440 2.291 10 0 FEAEHN CC[C@@H]1CN(CCCOc2ccc3c(c2)OCO3)CCN1CCOC ZINC000106113423 543201142 /nfs/dbraw/zinc/20/11/42/543201142.db2.gz YQPXHWPYHDFIIN-MRXNPFEDSA-N 0 3 350.459 2.227 10 0 FEAEHN CCOCCN1CCN(CCC(=O)N2CCc3ccccc32)C[C@H]1CC ZINC000106117668 543202949 /nfs/dbraw/zinc/20/29/49/543202949.db2.gz FEVFRRQPQHBFKB-LJQANCHMSA-N 0 3 359.514 2.399 10 0 FEAEHN O=C(NCc1ccc(Br)cc1)NC[C@@H](O)CN1CCCCC1 ZINC000106578452 543238509 /nfs/dbraw/zinc/23/85/09/543238509.db2.gz YGEQWSVRNBHXIR-OAHLLOKOSA-N 0 3 370.291 2.095 10 0 FEAEHN C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCO[C@H](CN(C)C)C1 ZINC000107305025 543265347 /nfs/dbraw/zinc/26/53/47/543265347.db2.gz YCSAMDCMVIZXSA-OAGGEKHMSA-N 0 3 351.516 2.063 10 0 FEAEHN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@H]1CCCN(C)C1 ZINC000108330373 543286258 /nfs/dbraw/zinc/28/62/58/543286258.db2.gz STEBIEVMPKDHDP-CXAGYDPISA-N 0 3 367.440 2.177 10 0 FEAEHN CN(C(=O)[C@H]1CCOc2ccccc21)C1CCN(CCn2cccn2)CC1 ZINC000109292960 543320329 /nfs/dbraw/zinc/32/03/29/543320329.db2.gz CCYQMHGBQDJBLJ-IBGZPJMESA-N 0 3 368.481 2.372 10 0 FEAEHN CCOc1cc(CN(C)C[C@@H](O)CN2CCCC2=O)ccc1OC(F)F ZINC000111683400 543412241 /nfs/dbraw/zinc/41/22/41/543412241.db2.gz FUISWLAUXJPTFN-CQSZACIVSA-N 0 3 372.412 2.102 10 0 FEAEHN CN(C)Cc1cccc(CNC(=O)N2CCO[C@H](c3nccs3)C2)c1 ZINC000111823725 543417866 /nfs/dbraw/zinc/41/78/66/543417866.db2.gz KJIAUCZXHRBWMI-INIZCTEOSA-N 0 3 360.483 2.488 10 0 FEAEHN COc1cccc(CNC(=O)[C@@H](C)N[C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000112552027 543452117 /nfs/dbraw/zinc/45/21/17/543452117.db2.gz KTUQHKGZRBJVIB-GDBMZVCRSA-N 0 3 371.485 2.019 10 0 FEAEHN COC(=O)N[C@@H](C(=O)N(C)C1CCN(Cc2ccccc2)CC1)C(C)C ZINC000113091918 543474186 /nfs/dbraw/zinc/47/41/86/543474186.db2.gz NZGGCZUJENXPNO-GOSISDBHSA-N 0 3 361.486 2.490 10 0 FEAEHN COc1cc(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)ccc1C ZINC000114415315 543514452 /nfs/dbraw/zinc/51/44/52/543514452.db2.gz WWHNYOUZJUHYPE-UHFFFAOYSA-N 0 3 368.481 2.423 10 0 FEAEHN CN(C)Cc1cccc(NC(=O)N2CCCN(Cc3cnn(C)c3)CC2)c1 ZINC000115633969 543578540 /nfs/dbraw/zinc/57/85/40/543578540.db2.gz LXGUPDJWUIXCHJ-UHFFFAOYSA-N 0 3 370.501 2.222 10 0 FEAEHN CCOCCN1CCN(C(=O)N[C@@H](C)CN2CCCCC2)C[C@@H]1CC ZINC000117032124 543621678 /nfs/dbraw/zinc/62/16/78/543621678.db2.gz YKBGDKPNBYZTIZ-ROUUACIJSA-N 0 3 354.539 2.003 10 0 FEAEHN CC(C)COc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C)cn1 ZINC000117062359 543622414 /nfs/dbraw/zinc/62/24/14/543622414.db2.gz OTUVOPBBTDZDJW-INIZCTEOSA-N 0 3 364.490 2.147 10 0 FEAEHN Cc1c(C)c(C)c(S(=O)(=O)N2CCO[C@@H](CN(C)C)C2)c(C)c1C ZINC000116900947 543618852 /nfs/dbraw/zinc/61/88/52/543618852.db2.gz JGGMZQYPHVWBCS-KRWDZBQOSA-N 0 3 354.516 2.180 10 0 FEAEHN CCOc1ccc(CN2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)cc1 ZINC000122606770 543713427 /nfs/dbraw/zinc/71/34/27/543713427.db2.gz BWAIGERUIJOOKF-OAQYLSRUSA-N 0 3 361.530 2.312 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)C1 ZINC000124121039 543802280 /nfs/dbraw/zinc/80/22/80/543802280.db2.gz UOYSWRPUXXWLAN-AWEZNQCLSA-N 0 3 364.877 2.041 10 0 FEAEHN COc1c(F)cc(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)cc1F ZINC000129341922 544105951 /nfs/dbraw/zinc/10/59/51/544105951.db2.gz KRZKGTLYORZFHP-CYBMUJFWSA-N 0 3 369.412 2.149 10 0 FEAEHN Cc1ccc([C@@H](CNC(=O)NC[C@H](C)N2CCOCC2)N2CCCC2)cc1 ZINC000131091239 544176812 /nfs/dbraw/zinc/17/68/12/544176812.db2.gz XPAKBQOSRDZXDG-AZUAARDMSA-N 0 3 374.529 2.152 10 0 FEAEHN CC(C)OCc1cccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000150773659 544469224 /nfs/dbraw/zinc/46/92/24/544469224.db2.gz GEVLBLWFNRSFES-YJBOKZPZSA-N 0 3 361.486 2.395 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccccc2OC(F)F)[C@@H](C)C1 ZINC000150791981 544473075 /nfs/dbraw/zinc/47/30/75/544473075.db2.gz CRYVQXCOYHEBSC-AAEUAGOBSA-N 0 3 355.385 2.071 10 0 FEAEHN CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000150798851 544473746 /nfs/dbraw/zinc/47/37/46/544473746.db2.gz DWCRLCVRNAQDHC-BBRMVZONSA-N 0 3 365.449 2.396 10 0 FEAEHN COc1ccccc1C(=O)N[C@@H](C(=O)N(C)[C@@H]1CCCN(C)C1)C(C)C ZINC000151095206 544503578 /nfs/dbraw/zinc/50/35/78/544503578.db2.gz RUINOOGIBLCTDJ-CRAIPNDOSA-N 0 3 361.486 2.002 10 0 FEAEHN COc1ccccc1C(=O)N[C@@H](C(=O)N(C)[C@H]1CCCN(C)C1)C(C)C ZINC000151095319 544503769 /nfs/dbraw/zinc/50/37/69/544503769.db2.gz RUINOOGIBLCTDJ-MAUKXSAKSA-N 0 3 361.486 2.002 10 0 FEAEHN Cc1c([C@@H](C)NC[C@H](O)CN2CCCCC2)nnn1-c1ccc(F)cc1 ZINC000151303371 544526839 /nfs/dbraw/zinc/52/68/39/544526839.db2.gz JMLKSYKIVNWIOT-KDOFPFPSSA-N 0 3 361.465 2.212 10 0 FEAEHN O[C@H](COCc1ccccc1)CN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152260806 544630943 /nfs/dbraw/zinc/63/09/43/544630943.db2.gz ONRRIJZKMHOCMA-ROUUACIJSA-N 0 3 356.470 2.439 10 0 FEAEHN CC(C)COc1cncc(N2CCN(c3ccc(CN(C)C)cn3)CC2)n1 ZINC000153292649 544757295 /nfs/dbraw/zinc/75/72/95/544757295.db2.gz LZNZIJVZGQWARQ-UHFFFAOYSA-N 0 3 370.501 2.295 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000153415434 544773446 /nfs/dbraw/zinc/77/34/46/544773446.db2.gz YFUJMCGWLTZXDL-DOTOQJQBSA-N 0 3 356.474 2.454 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C)cc1C(=O)OC ZINC000153631077 544800498 /nfs/dbraw/zinc/80/04/98/544800498.db2.gz ORKLPMURNNGDRI-HUUCEWRRSA-N 0 3 366.483 2.029 10 0 FEAEHN CCCOc1cccc(CCNC(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000154782210 544948615 /nfs/dbraw/zinc/94/86/15/544948615.db2.gz GLTBXJLWYOYGOD-GOSISDBHSA-N 0 3 363.502 2.164 10 0 FEAEHN CCCOc1cccc(CCNC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000154782108 544948821 /nfs/dbraw/zinc/94/88/21/544948821.db2.gz GLTBXJLWYOYGOD-SFHVURJKSA-N 0 3 363.502 2.164 10 0 FEAEHN COCCN1CCN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)C[C@H]1C ZINC000155087891 544987791 /nfs/dbraw/zinc/98/77/91/544987791.db2.gz RWPLUIIPNYZIMS-SLYNCCJLSA-N 0 3 362.514 2.094 10 0 FEAEHN Cc1cccc(OC[C@H](O)CN(C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000155047125 544982592 /nfs/dbraw/zinc/98/25/92/544982592.db2.gz XDUXLRCOLNNFES-QZTJIDSGSA-N 0 3 356.470 2.126 10 0 FEAEHN CCC[C@@H](C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1)N(C)C ZINC000179631527 327652828 /nfs/dbraw/zinc/65/28/28/327652828.db2.gz WVGSOHJCLDEQKC-KRWDZBQOSA-N 0 3 365.905 2.284 10 0 FEAEHN Cc1cc(C(=O)N2CCO[C@@H](CN(C)C)C2)nn1-c1cc(C)cc(C)c1 ZINC000180421055 327685643 /nfs/dbraw/zinc/68/56/43/327685643.db2.gz CRBQIRZDRJFUIS-SFHVURJKSA-N 0 3 356.470 2.200 10 0 FEAEHN COc1cc(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)ccc1F ZINC000187486913 328029181 /nfs/dbraw/zinc/02/91/81/328029181.db2.gz MHNZZFQQINWOFN-CQSZACIVSA-N 0 3 351.422 2.009 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)C1 ZINC000187717132 328041544 /nfs/dbraw/zinc/04/15/44/328041544.db2.gz MICDYGKWXVPWOO-YDHLFZDLSA-N 0 3 351.413 2.254 10 0 FEAEHN CCN(C[C@H](O)C(F)(F)F)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000187764320 328044624 /nfs/dbraw/zinc/04/46/24/328044624.db2.gz FKCFXJWFYXNYDG-ZFWWWQNUSA-N 0 3 361.408 2.462 10 0 FEAEHN CCc1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)c(O)c1 ZINC000188370808 328083015 /nfs/dbraw/zinc/08/30/15/328083015.db2.gz QCBJKEAEGDKPMT-SFHVURJKSA-N 0 3 354.450 2.104 10 0 FEAEHN C[C@@H]1OCCC[C@@H]1C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000188894202 328116237 /nfs/dbraw/zinc/11/62/37/328116237.db2.gz RPSMHGOTYFKETQ-KSSFIOAISA-N 0 3 359.470 2.138 10 0 FEAEHN C[C@H]1[NH2+]CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000189318066 328140705 /nfs/dbraw/zinc/14/07/05/328140705.db2.gz RLAJIFBIHOTOLA-KCJUWKMLSA-N 0 3 351.241 2.007 10 0 FEAEHN C[C@H]1[NH2+]CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000189318021 328140771 /nfs/dbraw/zinc/14/07/71/328140771.db2.gz RLAJIFBIHOTOLA-LDYMZIIASA-N 0 3 351.241 2.007 10 0 FEAEHN CC(C)c1cc(NC(=O)N2CCN3CCC[C@@H]3C2)n(-c2ncccn2)n1 ZINC000189976409 328179980 /nfs/dbraw/zinc/17/99/80/328179980.db2.gz TUOMREYTQVSNDY-CQSZACIVSA-N 0 3 355.446 2.098 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC[C@](C)(C(=O)OC)c1ccccc1 ZINC000190039689 328184068 /nfs/dbraw/zinc/18/40/68/328184068.db2.gz CTBDGFRXQXZFKH-XLIONFOSSA-N 0 3 361.486 2.243 10 0 FEAEHN COc1cc(Cl)c(C)cc1NC(=O)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000190091485 328187747 /nfs/dbraw/zinc/18/77/47/328187747.db2.gz XHNNFNUUJMTDSH-QWHCGFSZSA-N 0 3 365.861 2.291 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(OC)ccc1Cl ZINC000190336007 328200769 /nfs/dbraw/zinc/20/07/69/328200769.db2.gz XDVKCZMICOCCLR-QWHCGFSZSA-N 0 3 365.861 2.372 10 0 FEAEHN COc1ccc(NC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)cn1 ZINC000190495309 328211527 /nfs/dbraw/zinc/21/15/27/328211527.db2.gz LNROYGPWKFYSGL-INIZCTEOSA-N 0 3 355.442 2.471 10 0 FEAEHN COCc1cc(NC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)ncn1 ZINC000190507520 328212674 /nfs/dbraw/zinc/21/26/74/328212674.db2.gz VZNMYUPXRGOOAZ-MRXNPFEDSA-N 0 3 370.457 2.004 10 0 FEAEHN CC(=O)Nc1nc(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)cs1 ZINC000190588001 328218273 /nfs/dbraw/zinc/21/82/73/328218273.db2.gz BEWNXBPZDGTBSZ-HNNXBMFYSA-N 0 3 373.482 2.091 10 0 FEAEHN Cc1nn(C)cc1[C@@H](C)NC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190715669 328227077 /nfs/dbraw/zinc/22/70/77/328227077.db2.gz KXDLVNABNUCYGE-QAPCUYQASA-N 0 3 370.501 2.348 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Cc2ccc(I)cc2)C1 ZINC000190900125 328239156 /nfs/dbraw/zinc/23/91/56/328239156.db2.gz XENZJLGARWAXPE-AWEZNQCLSA-N 0 3 372.250 2.434 10 0 FEAEHN CC(C)[C@@H](C(=O)NCCN1CCc2ccccc2C1=O)N1CCCCC1 ZINC000191299013 328258929 /nfs/dbraw/zinc/25/89/29/328258929.db2.gz WJMNUPQOKLDBKV-IBGZPJMESA-N 0 3 357.498 2.312 10 0 FEAEHN CN(C)c1noc(CN(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)n1 ZINC000192713107 328334779 /nfs/dbraw/zinc/33/47/79/328334779.db2.gz KMAZQBAJZCIILG-GOSISDBHSA-N 0 3 373.501 2.013 10 0 FEAEHN Cc1cc(C)n(-c2cccc(NC(=O)NC[C@H](O)CN3CCCCC3)c2)n1 ZINC000193476264 328377919 /nfs/dbraw/zinc/37/79/19/328377919.db2.gz GGLQBCNUWNEEPW-IBGZPJMESA-N 0 3 371.485 2.457 10 0 FEAEHN CN(C)C[C@H](NC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 ZINC000195242707 328464086 /nfs/dbraw/zinc/46/40/86/328464086.db2.gz ABERHBQTWVCDCL-MJGOQNOKSA-N 0 3 366.465 2.394 10 0 FEAEHN Cn1nccc1C1CCN(CCC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000195502117 328480287 /nfs/dbraw/zinc/48/02/87/328480287.db2.gz NIYFKBLHTIJGNC-UHFFFAOYSA-N 0 3 369.469 2.016 10 0 FEAEHN CCC[C@H](N)C(=O)N1CCN([C@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000236837570 328495839 /nfs/dbraw/zinc/49/58/39/328495839.db2.gz YGTDTUXPYQSPGQ-WBVHZDCISA-N 0 3 371.485 2.378 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000083710859 325222575 /nfs/dbraw/zinc/22/25/75/325222575.db2.gz WWEGEKKAPRNXLL-AEFFLSMTSA-N 0 3 355.523 2.332 10 0 FEAEHN CN(c1cccnn1)C1CCN(Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000093272712 325440897 /nfs/dbraw/zinc/44/08/97/325440897.db2.gz OSSXUPUDAWVTIV-UHFFFAOYSA-N 0 3 363.469 2.373 10 0 FEAEHN CCCC(=O)N[C@H]1CCCN(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000101772170 325479873 /nfs/dbraw/zinc/47/98/73/325479873.db2.gz VLNDQJJQJCIVRE-INIZCTEOSA-N 0 3 352.523 2.341 10 0 FEAEHN CN(c1cccnn1)C1CCN(CCC(=O)NCC2CCCCC2)CC1 ZINC000109005280 325655504 /nfs/dbraw/zinc/65/55/04/325655504.db2.gz IIFNFCHBOGVLDN-UHFFFAOYSA-N 0 3 359.518 2.464 10 0 FEAEHN COc1cc(CN[C@H]2CCCN(c3cccnn3)C2)cc2c1OCCO2 ZINC000109070528 325657635 /nfs/dbraw/zinc/65/76/35/325657635.db2.gz RKGYQFSBPVFHJM-HNNXBMFYSA-N 0 3 356.426 2.015 10 0 FEAEHN Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000111139900 325702115 /nfs/dbraw/zinc/70/21/15/325702115.db2.gz SHGPTDYJKJUXTG-SFHVURJKSA-N 0 3 366.469 2.093 10 0 FEAEHN Cc1cnn(CCN[C@H](C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1 ZINC000112552255 325790903 /nfs/dbraw/zinc/79/09/03/325790903.db2.gz ZLMMOQGUMMWDDL-OAHLLOKOSA-N 0 3 358.442 2.374 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)CCO1 ZINC000116786719 326034941 /nfs/dbraw/zinc/03/49/41/326034941.db2.gz PQPMCDCEHYNZCU-ZDUSSCGKSA-N 0 3 366.259 2.333 10 0 FEAEHN Cc1ccc(-c2cnc(CCC(=O)N3CCO[C@H](CN(C)C)C3)o2)cc1 ZINC000116791963 326035798 /nfs/dbraw/zinc/03/57/98/326035798.db2.gz FXEXBMKJSOZUIE-QGZVFWFLSA-N 0 3 357.454 2.372 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2cccc(NC(=O)c3cccs3)c2)CCO1 ZINC000116790341 326035848 /nfs/dbraw/zinc/03/58/48/326035848.db2.gz PSJQQFIDAUCFLW-INIZCTEOSA-N 0 3 373.478 2.403 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NCc2ccccc2OC(F)(F)F)CCO1 ZINC000117028532 326047784 /nfs/dbraw/zinc/04/77/84/326047784.db2.gz CYFDMKLMTKKWIN-CYBMUJFWSA-N 0 3 361.364 2.057 10 0 FEAEHN C[C@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)c1ccccc1Br ZINC000117025631 326047929 /nfs/dbraw/zinc/04/79/29/326047929.db2.gz ZUZUEVZNLXIAQR-STQMWFEESA-N 0 3 370.291 2.482 10 0 FEAEHN C[C@@H](NC(=O)N1CCO[C@H](CN(C)C)C1)c1ccc(OC(F)F)cc1 ZINC000117032442 326048584 /nfs/dbraw/zinc/04/85/84/326048584.db2.gz DSOAWMWHDQEIHO-IUODEOHRSA-N 0 3 357.401 2.321 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2ccccc2OCC(F)(F)F)CCO1 ZINC000118798455 326103157 /nfs/dbraw/zinc/10/31/57/326103157.db2.gz VUFQXQCSHUEHSH-GFCCVEGCSA-N 0 3 361.364 2.422 10 0 FEAEHN Cc1cc(C)n(-c2ccccc2NC(=O)N2CCO[C@@H](CN(C)C)C2)n1 ZINC000118800664 326103195 /nfs/dbraw/zinc/10/31/95/326103195.db2.gz VIOHYFQFLYNIBM-INIZCTEOSA-N 0 3 357.458 2.283 10 0 FEAEHN Cc1ccc(N2CC[C@@H](N[C@@H]3CCc4nc(C(C)C)nn4C3)C2=O)cc1 ZINC000119230028 326139877 /nfs/dbraw/zinc/13/98/77/326139877.db2.gz NJTCEHMUVBAZPE-NVXWUHKLSA-N 0 3 353.470 2.420 10 0 FEAEHN CC(C)[C@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)N1CCCCC1 ZINC000119875821 326207578 /nfs/dbraw/zinc/20/75/78/326207578.db2.gz FFDVRMSVKGVZIE-LEWJYISDSA-N 0 3 373.541 2.032 10 0 FEAEHN Cc1cc(NC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)ccn1 ZINC000120465504 326260899 /nfs/dbraw/zinc/26/08/99/326260899.db2.gz LXAAGIYCWXLXRF-UHFFFAOYSA-N 0 3 354.458 2.201 10 0 FEAEHN CC[C@H](NC(=O)N1CC[C@H](N(C)C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000121909170 326375338 /nfs/dbraw/zinc/37/53/38/326375338.db2.gz ZATQOJWJTXFTHI-SLFFLAALSA-N 0 3 374.529 2.012 10 0 FEAEHN O=S(=O)(c1ccccc1CNCC1(C2CC2)CCC1)N1CCOCC1 ZINC000127575200 326508882 /nfs/dbraw/zinc/50/88/82/326508882.db2.gz QIDKDVDBPCGGQI-UHFFFAOYSA-N 0 3 364.511 2.377 10 0 FEAEHN CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@H](CC(C)C)CN(C)C)C1 ZINC000132017985 326585798 /nfs/dbraw/zinc/58/57/98/326585798.db2.gz LVXCZTVCSCCNLI-DLBZAZTESA-N 0 3 354.539 2.157 10 0 FEAEHN C[C@@H](NC(=O)NC[C@H](c1ccccc1)N(C)C)c1nnc2n1CCCC2 ZINC000153083345 326723560 /nfs/dbraw/zinc/72/35/60/326723560.db2.gz HBLRUGHMBGZBSG-GDBMZVCRSA-N 0 3 356.474 2.278 10 0 FEAEHN C[C@H](NC(=O)CN1CCO[C@@H](CN(C)C)C1)c1ccc2c(c1)CCCC2 ZINC000246228736 328601093 /nfs/dbraw/zinc/60/10/93/328601093.db2.gz CBNBKYXHTXUHDG-JXFKEZNVSA-N 0 3 359.514 2.005 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)NCCc2cc(Br)ccc2F)C1 ZINC000170834506 327101346 /nfs/dbraw/zinc/10/13/46/327101346.db2.gz HMGSSXBWRWLTTE-CYBMUJFWSA-N 0 3 358.255 2.476 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)N2CC3(CCCC3)c3c2cccc3F)C1 ZINC000170843669 327102327 /nfs/dbraw/zinc/10/23/27/327102327.db2.gz HVTKWEPSXSUHQW-CQSZACIVSA-N 0 3 359.445 2.147 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)C1 ZINC000170865917 327104151 /nfs/dbraw/zinc/10/41/51/327104151.db2.gz VAQGVHGJKDIXMM-MRXNPFEDSA-N 0 3 357.479 2.454 10 0 FEAEHN C[C@H](NC(=O)N(C)C1CCN(CCc2ccccn2)CC1)[C@H]1CCCO1 ZINC000171042522 327114174 /nfs/dbraw/zinc/11/41/74/327114174.db2.gz ZQGOYNSRQXAKNM-QFBILLFUSA-N 0 3 360.502 2.297 10 0 FEAEHN Cc1c(C(=O)N2CCN3CCC[C@@H]3C2)nnn1-c1ccc(F)c(Cl)c1 ZINC000171716410 327157347 /nfs/dbraw/zinc/15/73/47/327157347.db2.gz CFMXEIOGZWFIKJ-CYBMUJFWSA-N 0 3 363.824 2.288 10 0 FEAEHN C[C@H](NC(=O)N1CCN2CCC[C@@H]2C1)c1ccc(N2CCOC2=O)cc1 ZINC000171904805 327169228 /nfs/dbraw/zinc/16/92/28/327169228.db2.gz PIJCWIKMWJVGRQ-WMLDXEAASA-N 0 3 358.442 2.194 10 0 FEAEHN C[C@@H](NC(=O)N1CCN2CCC[C@@H]2C1)c1ccc(N2CCCC2=O)cc1 ZINC000171904800 327169440 /nfs/dbraw/zinc/16/94/40/327169440.db2.gz LMDFRIRIJLKAIJ-CRAIPNDOSA-N 0 3 356.470 2.364 10 0 FEAEHN CN(C(=O)NCc1ccccc1F)C1CCN(CCn2cccn2)CC1 ZINC000171969857 327173732 /nfs/dbraw/zinc/17/37/32/327173732.db2.gz ISGZCECPPBARHA-UHFFFAOYSA-N 0 3 359.449 2.328 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@H](C)C(=O)Nc1ccc(N(C)C)cc1)CC2 ZINC000171984964 327174547 /nfs/dbraw/zinc/17/45/47/327174547.db2.gz QJKPSSZXCLUTAK-GDBMZVCRSA-N 0 3 370.501 2.399 10 0 FEAEHN CCc1nccn1[C@H]1CCCN(CCn2cnc3ccccc3c2=O)C1 ZINC000172247982 327190107 /nfs/dbraw/zinc/19/01/07/327190107.db2.gz KMCRQGRZOORWJS-INIZCTEOSA-N 0 3 351.454 2.493 10 0 FEAEHN CC[C@H](C)CS(=O)(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000172662655 327213848 /nfs/dbraw/zinc/21/38/48/327213848.db2.gz PFYZRWVBCMRMNW-QFBILLFUSA-N 0 3 368.543 2.398 10 0 FEAEHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000172907466 327225801 /nfs/dbraw/zinc/22/58/01/327225801.db2.gz ULDJKWCELJQNKV-BZUAXINKSA-N 0 3 351.491 2.377 10 0 FEAEHN C[C@H](CNC(=O)NC[C@H](O)CN1CCCCC1)Oc1ccc(Cl)cc1 ZINC000173447396 327257872 /nfs/dbraw/zinc/25/78/72/327257872.db2.gz DGBBDBORFCOLLL-ZBFHGGJFSA-N 0 3 369.893 2.253 10 0 FEAEHN O=C(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)[C@@H](O)c1ccccc1 ZINC000173468135 327259420 /nfs/dbraw/zinc/25/94/20/327259420.db2.gz DKSZTFJRFAZMJK-RTWAWAEBSA-N 0 3 368.477 2.282 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000173998098 327300280 /nfs/dbraw/zinc/30/02/80/327300280.db2.gz XZUSYAWELKVTBJ-QGZVFWFLSA-N 0 3 370.501 2.447 10 0 FEAEHN CNc1cc(N2CCC[C@@H]2CN[C@H](C)C(=O)Nc2ccccc2C)ncn1 ZINC000174285363 327317076 /nfs/dbraw/zinc/31/70/76/327317076.db2.gz FGUOIVCVEUVDMJ-HZPDHXFCSA-N 0 3 368.485 2.412 10 0 FEAEHN CC[C@@H](CNC(=O)NC[C@@H](O)CN1CCCCC1)Oc1cccc(F)c1 ZINC000175643473 327404071 /nfs/dbraw/zinc/40/40/71/327404071.db2.gz MYDXWYRNWOUBQJ-SJORKVTESA-N 0 3 367.465 2.129 10 0 FEAEHN C[C@H](CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)N1CCOCC1 ZINC000175772095 327412073 /nfs/dbraw/zinc/41/20/73/327412073.db2.gz DWMYXVAKVGTPOK-GOSISDBHSA-N 0 3 374.529 2.013 10 0 FEAEHN CN(C)CCN(CCCc1ccccc1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176609662 327465907 /nfs/dbraw/zinc/46/59/07/327465907.db2.gz WMRVZDSULMKLRM-SFHVURJKSA-N 0 3 370.501 2.319 10 0 FEAEHN C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCO[C@@H](CN(C)C)C1 ZINC000246286999 328605624 /nfs/dbraw/zinc/60/56/24/328605624.db2.gz IEPLPNXHIDXRIZ-WFASDCNBSA-N 0 3 370.291 2.039 10 0 FEAEHN N[C@H](C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1)C1CCOCC1 ZINC000261640899 328807798 /nfs/dbraw/zinc/80/77/98/328807798.db2.gz DNTQGTLDYAODEV-KRWDZBQOSA-N 0 3 351.410 2.089 10 0 FEAEHN NC1(C(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)CCOCC1 ZINC000261878682 328826427 /nfs/dbraw/zinc/82/64/27/328826427.db2.gz OYXIOTYNUQQAHD-UHFFFAOYSA-N 0 3 371.412 2.202 10 0 FEAEHN CCC[C@](C)(N)C(=O)NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000262094065 328841699 /nfs/dbraw/zinc/84/16/99/328841699.db2.gz BDQZATVVTNYLIR-BBRMVZONSA-N 0 3 362.392 2.370 10 0 FEAEHN COc1ccc(CN2CCC(CNC(=O)[C@@H]3CC(F)(F)CN3)CC2)cc1 ZINC000263010851 328908419 /nfs/dbraw/zinc/90/84/19/328908419.db2.gz PTEOSYIIXGJLRJ-KRWDZBQOSA-N 0 3 367.440 2.021 10 0 FEAEHN Cc1ccccc1-n1nc(-c2nc([C@H]3CNCCN3C)no2)c2c1CCC2 ZINC000263107257 328915874 /nfs/dbraw/zinc/91/58/74/328915874.db2.gz AAZOVQWFKXCHPR-QGZVFWFLSA-N 0 3 364.453 2.296 10 0 FEAEHN CC(=O)c1ccc(SCc2nc([C@@H]3CNCCN3C)no2)cc1F ZINC000263256325 328928717 /nfs/dbraw/zinc/92/87/17/328928717.db2.gz QNUJSDNNJNYBKK-AWEZNQCLSA-N 0 3 350.419 2.280 10 0 FEAEHN Cc1ccccc1C(=O)N[C@@H](c1nc([C@@H]2CNCCN2C)no1)C(C)C ZINC000263301623 328931494 /nfs/dbraw/zinc/93/14/94/328931494.db2.gz XDJTUUOXIZHRMG-JKSUJKDBSA-N 0 3 357.458 2.081 10 0 FEAEHN CN1CCNC[C@H]1c1noc([C@H]2CCCN2C(=O)Nc2ccccc2)n1 ZINC000263317878 328932644 /nfs/dbraw/zinc/93/26/44/328932644.db2.gz ZSXVYJNEISHEDU-CABCVRRESA-N 0 3 356.430 2.015 10 0 FEAEHN CC[C@@H]1CN(C[C@@H](O)COc2cccc3ccccc32)CCN1C[C@@H](C)O ZINC000247546393 549354534 /nfs/dbraw/zinc/35/45/34/549354534.db2.gz DMQSWKDYLWVORZ-MISYRCLQSA-N 0 3 372.509 2.357 10 0 FEAEHN CC(C)(C)OC[C@@H](O)CN1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000157846324 545791666 /nfs/dbraw/zinc/79/16/66/545791666.db2.gz JXROEIVBSVCFHD-KRWDZBQOSA-N 0 3 355.523 2.259 10 0 FEAEHN CC(C)c1cc(C(=O)N2CCO[C@H](CN(C)C)C2)nn1-c1ccccc1 ZINC000158583661 545874641 /nfs/dbraw/zinc/87/46/41/545874641.db2.gz PELPIXGWYKWXAQ-QGZVFWFLSA-N 0 3 356.470 2.398 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000158817701 545897700 /nfs/dbraw/zinc/89/77/00/545897700.db2.gz MOAMDYOCQVFJBR-UXHICEINSA-N 0 3 369.513 2.075 10 0 FEAEHN COc1cccc(N2CCC[C@@H](NC(=O)N3CCN4CCC[C@@H]4C3)C2)c1 ZINC000172339347 546248865 /nfs/dbraw/zinc/24/88/65/546248865.db2.gz XFUXBIAHZMPNSM-SJLPKXTDSA-N 0 3 358.486 2.154 10 0 FEAEHN Cc1csc([C@@H](NC(=O)NC[C@@H](O)CN2CCCCC2)C2CC2)n1 ZINC000175835760 546359558 /nfs/dbraw/zinc/35/95/58/546359558.db2.gz OEBMYZRYEHZGDE-CABCVRRESA-N 0 3 352.504 2.049 10 0 FEAEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000175920308 546371662 /nfs/dbraw/zinc/37/16/62/546371662.db2.gz STOFGWBICFBTHY-OAGGEKHMSA-N 0 3 351.491 2.377 10 0 FEAEHN CC[C@@H](CNC(=O)NC[C@@H](O)CN1CCCCC1)Oc1ccccc1F ZINC000175962926 546380922 /nfs/dbraw/zinc/38/09/22/546380922.db2.gz OPTCEFYROSJADN-CVEARBPZSA-N 0 3 367.465 2.129 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 ZINC000176037201 546393129 /nfs/dbraw/zinc/39/31/29/546393129.db2.gz DPLBQHPDJMOBAA-CQSZACIVSA-N 0 3 350.438 2.476 10 0 FEAEHN COc1ccccc1C[C@@H](NC(=O)N1CCO[C@H](CN(C)C)C1)C(C)C ZINC000176175018 546416898 /nfs/dbraw/zinc/41/68/98/546416898.db2.gz KTUJEUNVIYYAGL-QZTJIDSGSA-N 0 3 363.502 2.234 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000176885937 546500465 /nfs/dbraw/zinc/50/04/65/546500465.db2.gz DUOGXLYRNHMVPA-CYBMUJFWSA-N 0 3 373.375 2.466 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(Cl)ccc1OC ZINC000176897837 546503152 /nfs/dbraw/zinc/50/31/52/546503152.db2.gz MXOBXXYANAMGMQ-ZDUSSCGKSA-N 0 3 353.850 2.230 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CNC(=O)Cc1cccc2ccccc21 ZINC000177007679 546523052 /nfs/dbraw/zinc/52/30/52/546523052.db2.gz NYIWBWVWESQNKK-LJQANCHMSA-N 0 3 367.493 2.441 10 0 FEAEHN COCCN(C)CCCNC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000177411902 546611958 /nfs/dbraw/zinc/61/19/58/546611958.db2.gz HIDYWYCJPGWPDD-AWEZNQCLSA-N 0 3 353.467 2.008 10 0 FEAEHN Cc1n[nH]cc1C(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000177472032 546626597 /nfs/dbraw/zinc/62/65/97/546626597.db2.gz KMTPMPKZZUDWMR-IBGZPJMESA-N 0 3 356.470 2.236 10 0 FEAEHN O=C(Nc1ccc2nc(C3CC3)sc2c1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177687185 546667135 /nfs/dbraw/zinc/66/71/35/546667135.db2.gz QLROLHIFIJWNOQ-AWEZNQCLSA-N 0 3 370.478 2.419 10 0 FEAEHN CC(C)(C)c1nc2cc(NC(=O)C(=O)N3CCN4CCC[C@@H]4C3)ccc2o1 ZINC000177695678 546668772 /nfs/dbraw/zinc/66/87/72/546668772.db2.gz YCGQPHREGMJPCC-CQSZACIVSA-N 0 3 370.453 2.370 10 0 FEAEHN CCN1CCC[C@H]1CN(C)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000177707900 546671351 /nfs/dbraw/zinc/67/13/51/546671351.db2.gz VLLHMHLEMBTYLF-GJZGRUSLSA-N 0 3 354.292 2.392 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)N(C)CCOc1ccccc1F ZINC000178325612 546775527 /nfs/dbraw/zinc/77/55/27/546775527.db2.gz JCXGPVALYOEMHS-KRWDZBQOSA-N 0 3 374.460 2.332 10 0 FEAEHN CNC(=O)[C@H](NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)C(C)C ZINC000178443571 546794584 /nfs/dbraw/zinc/79/45/84/546794584.db2.gz FCVPLEAEZVXTGR-ZWKOTPCHSA-N 0 3 360.502 2.111 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000178749685 546843453 /nfs/dbraw/zinc/84/34/53/546843453.db2.gz OMPIYHLRHGOSGQ-LSDHHAIUSA-N 0 3 358.408 2.457 10 0 FEAEHN CCc1n[nH]c(=O)c(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)c1CC ZINC000179721808 547004438 /nfs/dbraw/zinc/00/44/38/547004438.db2.gz NKARQKKCFCBFGH-AWEZNQCLSA-N 0 3 356.470 2.145 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1cccc(N3CCOC3=O)c1)CC2 ZINC000180632631 547145588 /nfs/dbraw/zinc/14/55/88/547145588.db2.gz XLNJHKJIBZEWQS-ZFWWWQNUSA-N 0 3 355.442 2.463 10 0 FEAEHN CC(C)CNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000180672437 547155198 /nfs/dbraw/zinc/15/51/98/547155198.db2.gz ZISVTTCGWZTMHZ-GJZGRUSLSA-N 0 3 357.458 2.393 10 0 FEAEHN Cc1cnn(-c2ccc(NC(=O)N3CCO[C@H](CN(C)C)C3)cc2F)c1 ZINC000181213496 547272617 /nfs/dbraw/zinc/27/26/17/547272617.db2.gz YNGZTTZEKSKJDG-OAHLLOKOSA-N 0 3 361.421 2.114 10 0 FEAEHN CCN(CCNC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2)C1CC1 ZINC000182632230 547524792 /nfs/dbraw/zinc/52/47/92/547524792.db2.gz YWKZNNCFSABPSB-MRXNPFEDSA-N 0 3 360.506 2.335 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NCc2ccccc2N2CCCCC2)CCO1 ZINC000183698188 547703668 /nfs/dbraw/zinc/70/36/68/547703668.db2.gz UNJXJYDYCXKLAR-GOSISDBHSA-N 0 3 360.502 2.149 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)N[C@@H]1CCCOc2c(F)cccc21 ZINC000183826293 547725527 /nfs/dbraw/zinc/72/55/27/547725527.db2.gz BFJXNVHMMVLHDS-WMLDXEAASA-N 0 3 365.449 2.185 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)N[C@H]1CCCOc2c(F)cccc21 ZINC000183826277 547725593 /nfs/dbraw/zinc/72/55/93/547725593.db2.gz BFJXNVHMMVLHDS-YOEHRIQHSA-N 0 3 365.449 2.185 10 0 FEAEHN CCCCN1CCOC[C@H]1C(=O)NCCCN1CCc2ccccc2C1 ZINC000184246171 547793608 /nfs/dbraw/zinc/79/36/08/547793608.db2.gz JQHSMZZNBLGIHH-FQEVSTJZSA-N 0 3 359.514 2.052 10 0 FEAEHN O=C(CCN1C[C@@H](O)C[C@@H]1CO)Nc1ccccc1Oc1ccccc1 ZINC000184715345 547869500 /nfs/dbraw/zinc/86/95/00/547869500.db2.gz UJHQIFQBMKOGHP-CVEARBPZSA-N 0 3 356.422 2.235 10 0 FEAEHN COc1cc(C)c(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)cc1F ZINC000185229717 547955155 /nfs/dbraw/zinc/95/51/55/547955155.db2.gz JATNVPSBJZNTBR-CQSZACIVSA-N 0 3 365.449 2.318 10 0 FEAEHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000185455093 547988043 /nfs/dbraw/zinc/98/80/43/547988043.db2.gz VSTPJXMPOOJHPS-KBPBESRZSA-N 0 3 354.445 2.351 10 0 FEAEHN COCc1c(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cnn1-c1ccccc1 ZINC000185559643 548002620 /nfs/dbraw/zinc/00/26/20/548002620.db2.gz WNXKHVAAZNEXMI-DOTOQJQBSA-N 0 3 354.454 2.327 10 0 FEAEHN CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000186012918 548072991 /nfs/dbraw/zinc/07/29/91/548072991.db2.gz JMEHBTLFMWTXLU-CQSZACIVSA-N 0 3 372.425 2.155 10 0 FEAEHN CC[N@H+]1CCC[C@@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000186012918 548072994 /nfs/dbraw/zinc/07/29/94/548072994.db2.gz JMEHBTLFMWTXLU-CQSZACIVSA-N 0 3 372.425 2.155 10 0 FEAEHN NC(=O)c1coc(CNC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)c1 ZINC000186626752 548161264 /nfs/dbraw/zinc/16/12/64/548161264.db2.gz MPILKBHZQSQQBA-KRWDZBQOSA-N 0 3 370.453 2.232 10 0 FEAEHN C[C@@H](NCC(=O)NC(=O)NC1CCCC1)c1cccc(-n2ccnc2)c1 ZINC000189901890 548314102 /nfs/dbraw/zinc/31/41/02/548314102.db2.gz NXFCCZJGCVARSY-CQSZACIVSA-N 0 3 355.442 2.291 10 0 FEAEHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CC[C@@H](c2ccccc2)C1 ZINC000194646455 548511321 /nfs/dbraw/zinc/51/13/21/548511321.db2.gz GFMWFZZSTCRLIO-SJORKVTESA-N 0 3 350.418 2.133 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(CC(=O)N2CCCCC2)C1 ZINC000195250633 548603481 /nfs/dbraw/zinc/60/34/81/548603481.db2.gz AVLICXXAIAYECK-MRXNPFEDSA-N 0 3 350.532 2.218 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(Cc2nnc(C3CC3)n2C)C1 ZINC000195258263 548605623 /nfs/dbraw/zinc/60/56/23/548605623.db2.gz AKMABHDKQZTETF-CQSZACIVSA-N 0 3 360.531 2.411 10 0 FEAEHN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CCN4CCC[C@@H]4C3)C2)c1 ZINC000195334570 548627520 /nfs/dbraw/zinc/62/75/20/548627520.db2.gz CLFAEGPDMDCLDI-AZUAARDMSA-N 0 3 369.509 2.462 10 0 FEAEHN CCc1csc([C@@H]2CCCN(C[C@H](O)COC[C@@H]3CCCO3)C2)n1 ZINC000195404189 548635643 /nfs/dbraw/zinc/63/56/43/548635643.db2.gz DFJAFHGPZQVVMC-PVAVHDDUSA-N 0 3 354.516 2.441 10 0 FEAEHN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC(c2ccn[nH]2)CC1 ZINC000195506471 548652200 /nfs/dbraw/zinc/65/22/00/548652200.db2.gz STOPLUCTSCXAPW-ZDUSSCGKSA-N 0 3 356.426 2.388 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000245424489 548914456 /nfs/dbraw/zinc/91/44/56/548914456.db2.gz COPJWTYGCGSJBF-XJKSGUPXSA-N 0 3 351.878 2.401 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)C1 ZINC000245438334 548920130 /nfs/dbraw/zinc/92/01/30/548920130.db2.gz XWYFTZFGGOJSQQ-MOPGFXCFSA-N 0 3 372.513 2.465 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)[C@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000245458473 548925879 /nfs/dbraw/zinc/92/58/79/548925879.db2.gz CWNYMIHTWLBXHE-QZTJIDSGSA-N 0 3 374.529 2.163 10 0 FEAEHN CCN1CCC[C@H]1CN(C)[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000245476625 548931215 /nfs/dbraw/zinc/93/12/15/548931215.db2.gz SZGHNEGKUZFSEZ-QUCCMNQESA-N 0 3 358.530 2.140 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000245544785 548943407 /nfs/dbraw/zinc/94/34/07/548943407.db2.gz BPSZEIBEDJORRG-AOIWGVFYSA-N 0 3 363.477 2.438 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cncc(I)c2)C1 ZINC000245623426 548960639 /nfs/dbraw/zinc/96/06/39/548960639.db2.gz CBEIWNBGVIYSML-ZWNOBZJWSA-N 0 3 373.238 2.145 10 0 FEAEHN CN(C[C@H]1CCCN(C)C1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000245699753 548978548 /nfs/dbraw/zinc/97/85/48/548978548.db2.gz ZAIZCYXHCMYRNK-UCLAIMLFSA-N 0 3 361.461 2.145 10 0 FEAEHN CC[C@H]1CN(Cc2cccc(OCCCOC)c2)CCN1C[C@H](C)O ZINC000245713823 548981223 /nfs/dbraw/zinc/98/12/23/548981223.db2.gz GLXRGGGYKZTRIG-HKUYNNGSSA-N 0 3 350.503 2.379 10 0 FEAEHN C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCn3ncnc32)CCN1Cc1ccccc1 ZINC000245886490 549010890 /nfs/dbraw/zinc/01/08/90/549010890.db2.gz MDGNWAHSRHWDSP-NJAFHUGGSA-N 0 3 368.485 2.465 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000245929297 549023068 /nfs/dbraw/zinc/02/30/68/549023068.db2.gz QFTRWQIUSWHFFM-CRAIPNDOSA-N 0 3 356.474 2.454 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000245980044 549031283 /nfs/dbraw/zinc/03/12/83/549031283.db2.gz YCBANVIDIVANHF-CZUORRHYSA-N 0 3 356.426 2.412 10 0 FEAEHN CCOCCOc1ccc(S(=O)(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000246165475 549067417 /nfs/dbraw/zinc/06/74/17/549067417.db2.gz MGRVSCSZFCIIGG-CRAIPNDOSA-N 0 3 370.515 2.109 10 0 FEAEHN CC[C@@H]1CN(C[C@@H](O)COCc2ccccc2Cl)CCN1CCOC ZINC000246259668 549090734 /nfs/dbraw/zinc/09/07/34/549090734.db2.gz GCWQBDDMUCFGEA-QZTJIDSGSA-N 0 3 370.921 2.260 10 0 FEAEHN Brc1ccc(-c2nnc(CN3CCN4CCC[C@H]4C3)o2)o1 ZINC000246306721 549100982 /nfs/dbraw/zinc/10/09/82/549100982.db2.gz JNAQBEWDVYYQHY-JTQLQIEISA-N 0 3 353.220 2.372 10 0 FEAEHN C[C@H]1CN(Cc2cccc(C(=O)N3CCCCC3)c2)C[C@H]1N1CCOCC1 ZINC000246482896 549143094 /nfs/dbraw/zinc/14/30/94/549143094.db2.gz OVAYAVKGCZRYBV-GHTZIAJQSA-N 0 3 371.525 2.465 10 0 FEAEHN CCc1cc2c(C[N@@H+]3C[C@@H](C)[C@@H](N4CCOCC4)C3)cc(=O)oc2cc1[O-] ZINC000246509543 549149958 /nfs/dbraw/zinc/14/99/58/549149958.db2.gz QMZBRNACKSTWEJ-KDOFPFPSSA-N 0 3 372.465 2.214 10 0 FEAEHN CCc1cc2c(C[N@H+]3C[C@@H](C)[C@@H](N4CCOCC4)C3)cc(=O)oc2cc1[O-] ZINC000246509543 549149963 /nfs/dbraw/zinc/14/99/63/549149963.db2.gz QMZBRNACKSTWEJ-KDOFPFPSSA-N 0 3 372.465 2.214 10 0 FEAEHN COCCOCc1cc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)ccc1F ZINC000246856108 549228956 /nfs/dbraw/zinc/22/89/56/549228956.db2.gz VHGFLCNVLSQDEN-PBHICJAKSA-N 0 3 350.434 2.297 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000246953415 549250348 /nfs/dbraw/zinc/25/03/48/549250348.db2.gz KTGYPULMWFGMGN-STQMWFEESA-N 0 3 368.890 2.235 10 0 FEAEHN CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000246965273 549253251 /nfs/dbraw/zinc/25/32/51/549253251.db2.gz BTXDMHTVZAPSCG-QAPCUYQASA-N 0 3 357.458 2.416 10 0 FEAEHN CC[C@@H]1CN(C(=O)[C@H]2CCCN2Cc2ccccc2)CCN1CCOC ZINC000246980774 549256815 /nfs/dbraw/zinc/25/68/15/549256815.db2.gz FLQPJRVXFZNWAO-WOJBJXKFSA-N 0 3 359.514 2.220 10 0 FEAEHN COc1cccc(N2CCN(C(=O)N[C@@H]3CN(C(C)C)C[C@H]3C)CC2)c1 ZINC000246991810 549258588 /nfs/dbraw/zinc/25/85/88/549258588.db2.gz GNTPNVPRVHWDLD-VQIMIIECSA-N 0 3 360.502 2.256 10 0 FEAEHN CC[C@@H]1CCCCN1CCNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000247287538 549312176 /nfs/dbraw/zinc/31/21/76/549312176.db2.gz DSXBHCBDSBBAGX-JKSUJKDBSA-N 0 3 362.522 2.280 10 0 FEAEHN CC(C)[C@H](NC(=O)c1cccs1)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000247326908 549318902 /nfs/dbraw/zinc/31/89/02/549318902.db2.gz MTLWOAXPGRKODJ-FMKPAKJESA-N 0 3 351.516 2.347 10 0 FEAEHN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000247354371 549323667 /nfs/dbraw/zinc/32/36/67/549323667.db2.gz OFAWGKDJEBUGAM-BHIYHBOVSA-N 0 3 357.498 2.331 10 0 FEAEHN Cc1nc(C)n(C[C@@H]2CCCN(C[C@H](O)COc3ccc(C)cc3)C2)n1 ZINC000247771848 549378638 /nfs/dbraw/zinc/37/86/38/549378638.db2.gz PIOZMPMQCTVQGB-MOPGFXCFSA-N 0 3 358.486 2.355 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)c2ccc(OCC(F)F)cc2)C1 ZINC000248474436 549447726 /nfs/dbraw/zinc/44/77/26/549447726.db2.gz XFEWLSCJHYSRER-SWLSCSKDSA-N 0 3 362.442 2.338 10 0 FEAEHN CC[C@H]1CN(C[C@@H](O)COc2cc(C)ccc2Cl)CCN1CCOC ZINC000248554342 549456425 /nfs/dbraw/zinc/45/64/25/549456425.db2.gz HRDVRCZGPSKKOY-DLBZAZTESA-N 0 3 370.921 2.431 10 0 FEAEHN O=C(Nc1ccccc1)c1nnc(CN2CCN3CCCC[C@H]3C2)s1 ZINC000248574837 549461075 /nfs/dbraw/zinc/46/10/75/549461075.db2.gz PAKIMBZDDAOJGU-HNNXBMFYSA-N 0 3 357.483 2.461 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1nc2c(s1)CCCC2 ZINC000248672674 549482094 /nfs/dbraw/zinc/48/20/94/549482094.db2.gz GGHDFBAQXMNKPP-STQMWFEESA-N 0 3 362.499 2.046 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC[C@@](C)(C(=O)OC)c1ccccc1 ZINC000248941625 549528998 /nfs/dbraw/zinc/52/89/98/549528998.db2.gz CTBDGFRXQXZFKH-FXAWDEMLSA-N 0 3 361.486 2.243 10 0 FEAEHN C[C@@H](C(=O)NC(C)(C)C)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000248971568 549533510 /nfs/dbraw/zinc/53/35/10/549533510.db2.gz DFSVCMVKHHOQRJ-JKSUJKDBSA-N 0 3 369.550 2.418 10 0 FEAEHN CC(C)n1ncc2ccc(NC(=O)C(=O)N3C[C@@H]4CCCN4C[C@H]3C)cc21 ZINC000249192539 549567073 /nfs/dbraw/zinc/56/70/73/549567073.db2.gz POCYFEKBBRCUJX-PBHICJAKSA-N 0 3 369.469 2.251 10 0 FEAEHN CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c(F)c1 ZINC000249243645 549571994 /nfs/dbraw/zinc/57/19/94/549571994.db2.gz WZFBEQIEGRKXEA-KGLIPLIRSA-N 0 3 363.433 2.247 10 0 FEAEHN COC(=O)c1ccc2[nH]cc(C(=O)CN3C[C@@H]4CCCN4C[C@H]3C)c2c1 ZINC000249390467 549587279 /nfs/dbraw/zinc/58/72/79/549587279.db2.gz QVAHXYPPJKLNHR-HIFRSBDPSA-N 0 3 355.438 2.306 10 0 FEAEHN C[C@@H]1CCCN(CCNC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)C1 ZINC000249525197 549601021 /nfs/dbraw/zinc/60/10/21/549601021.db2.gz XUTLMMXBTAAXDU-PVAVHDDUSA-N 0 3 351.516 2.197 10 0 FEAEHN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)C1 ZINC000251565649 549648679 /nfs/dbraw/zinc/64/86/79/549648679.db2.gz GYHQEBLKTVVAGC-IPMKNSEASA-N 0 3 373.497 2.341 10 0 FEAEHN C[C@](N)(C(=O)N1CCN2CCCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000261761041 549752596 /nfs/dbraw/zinc/75/25/96/549752596.db2.gz NLWIURXQSRQPFK-NVXWUHKLSA-N 0 3 366.303 2.320 10 0 FEAEHN CCCOc1ccc([C@H](C)NC(=O)[C@H](N)C2CCOCC2)cc1OC ZINC000261891377 549766993 /nfs/dbraw/zinc/76/69/93/549766993.db2.gz VPJPPDFHTSYKSI-SCLBCKFNSA-N 0 3 350.459 2.415 10 0 FEAEHN CC(C)c1csc([C@@H]2CCCN(CCC(=O)N3CCNCC3)C2)n1 ZINC000262008133 549779781 /nfs/dbraw/zinc/77/97/81/549779781.db2.gz FFJPNWJBKKWLSG-OAHLLOKOSA-N 0 3 350.532 2.268 10 0 FEAEHN COc1ccccc1OCc1ccc(-c2nc([C@@H]3CNCCN3C)no2)o1 ZINC000263164775 549883007 /nfs/dbraw/zinc/88/30/07/549883007.db2.gz FCDJDCDUGPDBIP-AWEZNQCLSA-N 0 3 370.409 2.493 10 0 FEAEHN N[C@H](CC(=O)N1CCOC[C@@H]1C[C@H](O)c1cccs1)c1ccccc1 ZINC000263373413 549898252 /nfs/dbraw/zinc/89/82/52/549898252.db2.gz ZIVHFSAKRHIBDI-BBWFWOEESA-N 0 3 360.479 2.489 10 0 FEAEHN CN1CCC[C@H](N2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)C1 ZINC000301261572 553636826 /nfs/dbraw/zinc/63/68/26/553636826.db2.gz FOJDJDQQSKCGNV-SFHVURJKSA-N 0 3 355.461 2.499 10 0 FEAEHN CCc1cc(N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)n2ncnc2n1 ZINC000301594439 553664507 /nfs/dbraw/zinc/66/45/07/553664507.db2.gz YPIXYZBNNCHDMI-HOTGVXAUSA-N 0 3 372.517 2.402 10 0 FEAEHN Nc1c(Br)cc(Br)cc1CN[C@@H]1C[C@H]1CO ZINC000309630841 553752917 /nfs/dbraw/zinc/75/29/17/553752917.db2.gz REVYRAYHYQMLND-OIBJUYFYSA-N 0 3 350.054 2.264 10 0 FEAEHN Cn1cc([C@H]2[C@H](CNCc3cnc(C(C)(C)C)s3)CC(=O)N2C)cn1 ZINC000328620195 553797395 /nfs/dbraw/zinc/79/73/95/553797395.db2.gz GUGZTXLYIWZXNW-BLLLJJGKSA-N 0 3 361.515 2.483 10 0 FEAEHN COc1ccccc1-c1ccc(CN2CC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000367466851 556057864 /nfs/dbraw/zinc/05/78/64/556057864.db2.gz CKSMOMKSSDISBK-HXUWFJFHSA-N 0 3 351.406 2.146 10 0 FEAEHN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000375466355 558032033 /nfs/dbraw/zinc/03/20/33/558032033.db2.gz UGAQSDKXLVWGDM-ZMIKWESLSA-N 0 3 352.519 2.275 10 0 FEAEHN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[C@@H]1[C@H]1COCC[C@]1(C)O ZINC000375466353 558032143 /nfs/dbraw/zinc/03/21/43/558032143.db2.gz UGAQSDKXLVWGDM-NUABRCLCSA-N 0 3 352.519 2.275 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2CCCN(c3ncnc4sccc43)C2)C1 ZINC000377833433 558430698 /nfs/dbraw/zinc/43/06/98/558430698.db2.gz ZAMWWHURSFNHEM-UONOGXRCSA-N 0 3 359.499 2.070 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@@H](C)C(=O)Nc1cccnc1Cl)CC2 ZINC000112551901 670873321 /nfs/dbraw/zinc/87/33/21/670873321.db2.gz KKTDORBFLBOKHT-NWDGAFQWSA-N 0 3 362.865 2.382 10 0 FEAEHN CC(=O)N1CSC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000123356179 671978733 /nfs/dbraw/zinc/97/87/33/671978733.db2.gz FIPBUUOVCZFBLP-MSOLQXFVSA-N 0 3 361.511 2.079 10 0 FEAEHN CN(C)C[C@H]1CN(Cn2ncc3c2cccc3Br)CCO1 ZINC000152973879 672191347 /nfs/dbraw/zinc/19/13/47/672191347.db2.gz VXKFMVZTGIUEDN-LBPRGKRZSA-N 0 3 353.264 2.019 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CNC[C@@H](O)CC(C)(C)C ZINC000172269169 672340531 /nfs/dbraw/zinc/34/05/31/672340531.db2.gz BRJGHUAVDNZYEQ-HNNXBMFYSA-N 0 3 352.523 2.267 10 0 FEAEHN CCOCCN1CCN(Cn2nc(C(F)F)n(C)c2=S)C[C@H]1CC ZINC000181373465 672426086 /nfs/dbraw/zinc/42/60/86/672426086.db2.gz UQDHKTBUUFNIHQ-GFCCVEGCSA-N 0 3 363.478 2.279 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000182977416 672457924 /nfs/dbraw/zinc/45/79/24/672457924.db2.gz TXYRRZSQZXFHMA-CHWSQXEVSA-N 0 3 371.434 2.290 10 0 FEAEHN C[C@@H](NCC(=O)Nc1nc(CN2CCC(C)CC2)cs1)[C@@H]1CCCO1 ZINC000183098559 672460103 /nfs/dbraw/zinc/46/01/03/672460103.db2.gz BGNABJIRIKYVDP-ZBFHGGJFSA-N 0 3 366.531 2.471 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000237059790 672806074 /nfs/dbraw/zinc/80/60/74/672806074.db2.gz CFJUQESFXRYYRP-LKFCYVNXSA-N 0 3 356.264 2.186 10 0 FEAEHN CC(C)(C)OC(=O)NC[C@H]1CCCN1C[C@@H](O)COc1ccccc1 ZINC000247571328 672851706 /nfs/dbraw/zinc/85/17/06/672851706.db2.gz RUINVAVEXGSMRE-HZPDHXFCSA-N 0 3 350.459 2.415 10 0 FEAEHN CN(Cc1cn(C)nc1C(F)(F)F)C[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000886088435 688201584 /nfs/dbraw/zinc/20/15/84/688201584.db2.gz VSRFWKORYZBVAB-RISCZKNCSA-N 0 3 357.380 2.382 10 0 FEAEHN C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000023738255 539720098 /nfs/dbraw/zinc/72/00/98/539720098.db2.gz ZCVDKAMMBGLQGJ-NVXWUHKLSA-N 0 3 355.438 2.351 10 0 FEAEHN O=C(NC1CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1)C1CC1 ZINC000030538888 539885337 /nfs/dbraw/zinc/88/53/37/539885337.db2.gz PYQROGREGMVZDD-SFHVURJKSA-N 0 3 366.889 2.208 10 0 FEAEHN CCN1CCC[C@H]1CNC(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C ZINC000044572520 540131102 /nfs/dbraw/zinc/13/11/02/540131102.db2.gz CQGDNUALTLRCPU-SUMWQHHRSA-N 0 3 367.440 2.320 10 0 FEAEHN C[C@@H](NC(=O)NC[C@H](O)CN1CCCCC1)c1ccc(OC(F)F)cc1 ZINC000049174762 540383934 /nfs/dbraw/zinc/38/39/34/540383934.db2.gz MAQNAJOPQZNIGU-HIFRSBDPSA-N 0 3 371.428 2.495 10 0 FEAEHN O=C(NCc1ccc(C(F)(F)F)cc1)NC[C@@H](O)CN1CCCCC1 ZINC000049189617 540384411 /nfs/dbraw/zinc/38/44/11/540384411.db2.gz GUPXRXKDCDMPGX-OAHLLOKOSA-N 0 3 359.392 2.351 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NC2CCN(c3ccccc3OC)CC2)C1 ZINC000050135420 540400631 /nfs/dbraw/zinc/40/06/31/540400631.db2.gz YGRAZEOBKXNJBV-QGZVFWFLSA-N 0 3 360.502 2.448 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NC2CCN(c3ccccc3OC)CC2)C1 ZINC000050135419 540400790 /nfs/dbraw/zinc/40/07/90/540400790.db2.gz YGRAZEOBKXNJBV-KRWDZBQOSA-N 0 3 360.502 2.448 10 0 FEAEHN O[C@@H](COc1cccc(Br)c1)CN1CCN(CC2CC2)CC1 ZINC000051426388 540433763 /nfs/dbraw/zinc/43/37/63/540433763.db2.gz FWZGPFLPXOHGHU-MRXNPFEDSA-N 0 3 369.303 2.216 10 0 FEAEHN CC[C@H](C)NC(=O)c1cccc(CNC(=O)N[C@@H]2CCCN(CC)C2)c1 ZINC000052525370 540471287 /nfs/dbraw/zinc/47/12/87/540471287.db2.gz JFMPCWKBTRFGAE-MAUKXSAKSA-N 0 3 360.502 2.498 10 0 FEAEHN OC[C@@H](Nc1nc(-c2ccccn2)nc2c1CCNC2)c1ccc(F)cc1 ZINC000072146701 541788399 /nfs/dbraw/zinc/78/83/99/541788399.db2.gz LHPPOQMVDAXUFI-GOSISDBHSA-N 0 3 365.412 2.469 10 0 FEAEHN CCNCc1cc(Br)ccc1OCCS(=O)(=O)CC ZINC000037370234 211153973 /nfs/dbraw/zinc/15/39/73/211153973.db2.gz JJSBEFYCKWFFLW-UHFFFAOYSA-N 0 3 350.278 2.372 10 0 FEAEHN CS(=O)(=O)N(Cc1cccc(OCCN2CCCCC2)c1)C1CC1 ZINC000015071601 211119773 /nfs/dbraw/zinc/11/97/73/211119773.db2.gz GGQUJDGZYUXDBO-UHFFFAOYSA-N 0 3 352.500 2.475 10 0 FEAEHN C[C@H](CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)N1CCOCC1 ZINC000077531768 542393615 /nfs/dbraw/zinc/39/36/15/542393615.db2.gz JNBWWEMTAQZLDT-RTBURBONSA-N 0 3 374.529 2.013 10 0 FEAEHN C[C@H](CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)N1CCOCC1 ZINC000077531771 542393682 /nfs/dbraw/zinc/39/36/82/542393682.db2.gz JNBWWEMTAQZLDT-MOPGFXCFSA-N 0 3 374.529 2.013 10 0 FEAEHN CCN[C@H](Cc1ccc(OC)c(Br)c1)CS(C)(=O)=O ZINC000052789136 221040405 /nfs/dbraw/zinc/04/04/05/221040405.db2.gz LGPRBBLZUCMYCN-LLVKDONJSA-N 0 3 350.278 2.023 10 0 FEAEHN CCN(CC)c1nc(C(=O)NCCN2CCCC2)nc2nc(C)cc(C)c21 ZINC000065232103 221183516 /nfs/dbraw/zinc/18/35/16/221183516.db2.gz ZDEHNHKFUKJEJZ-UHFFFAOYSA-N 0 3 370.501 2.313 10 0 FEAEHN CCn1c(=O)[nH]nc1C1CCN(Cc2cc3c(cc2C)OCCO3)CC1 ZINC000065427117 221216928 /nfs/dbraw/zinc/21/69/28/221216928.db2.gz VQTFPTTTYBFJQF-UHFFFAOYSA-N 0 3 358.442 2.051 10 0 FEAEHN Cc1cc(N2CCC(C(=O)NCCc3ccccc3F)CC2)nc(N)n1 ZINC000052283646 136124277 /nfs/dbraw/zinc/12/42/77/136124277.db2.gz ITODWHHRDXCACF-UHFFFAOYSA-N 0 3 357.433 2.082 10 0 FEAEHN Cc1ncc(CN2CCC[C@@H](Cn3cc(-c4ccccn4)nn3)C2)n1C ZINC000095526336 542980695 /nfs/dbraw/zinc/98/06/95/542980695.db2.gz RYSXGISTTDNIHZ-MRXNPFEDSA-N 0 3 351.458 2.294 10 0 FEAEHN CCCC(=O)N[C@H]1CCCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000101985256 543053468 /nfs/dbraw/zinc/05/34/68/543053468.db2.gz BLKUSWSSVWJDDG-OALUTQOASA-N 0 3 374.529 2.250 10 0 FEAEHN Cc1ccccc1[C@@H](C)NCC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000102683705 543077606 /nfs/dbraw/zinc/07/76/06/543077606.db2.gz NZVPPNXVVVHWTN-CQSZACIVSA-N 0 3 361.467 2.240 10 0 FEAEHN COCCN1CCN(CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@@H]1C ZINC000106108333 543200176 /nfs/dbraw/zinc/20/01/76/543200176.db2.gz IBQUDOPEOSDJOE-FXAWDEMLSA-N 0 3 359.514 2.223 10 0 FEAEHN Cc1cccc(C)c1OC[C@H](O)CN1CCC(Nc2cccnn2)CC1 ZINC000106081163 543192658 /nfs/dbraw/zinc/19/26/58/543192658.db2.gz VRTSJEZBWBCPSH-GOSISDBHSA-N 0 3 356.470 2.410 10 0 FEAEHN Cc1ccc(C)c(OC[C@@H](O)CN2CCC[C@H](Cn3cncn3)C2)c1C ZINC000106171526 543212169 /nfs/dbraw/zinc/21/21/69/543212169.db2.gz OFKIOAZCPJEJQI-OALUTQOASA-N 0 3 358.486 2.355 10 0 FEAEHN O[C@@H](COc1ccccc1Cl)CN1CCC[C@H](Cn2cncn2)C1 ZINC000108879504 543307430 /nfs/dbraw/zinc/30/74/30/543307430.db2.gz IEUWENOLTNHCLC-LSDHHAIUSA-N 0 3 350.850 2.083 10 0 FEAEHN COc1cc(CN[C@H]2CCCN(c3cccnn3)C2)cc(OC)c1OC ZINC000109071035 543313520 /nfs/dbraw/zinc/31/35/20/543313520.db2.gz XDKRVMUSKJKOKQ-HNNXBMFYSA-N 0 3 358.442 2.261 10 0 FEAEHN Cc1ccc([C@@H](CNc2cc(N3CCC[C@@H]3CO)ncn2)N(C)C)cc1 ZINC000110319288 543355042 /nfs/dbraw/zinc/35/50/42/543355042.db2.gz XURIFCCOHXFFGX-QZTJIDSGSA-N 0 3 355.486 2.461 10 0 FEAEHN O=C1CCCN1C[C@H](O)CN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000111691326 543411822 /nfs/dbraw/zinc/41/18/22/543411822.db2.gz SMTGZNJKKLGGQN-IEBWSBKVSA-N 0 3 366.889 2.069 10 0 FEAEHN CCN1CCCC[C@H]1C(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000113921732 543498540 /nfs/dbraw/zinc/49/85/40/543498540.db2.gz CEMXTYPZXXQABG-SFHVURJKSA-N 0 3 361.534 2.157 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)CCCc3ccccn3)CC2)nc1 ZINC000114415168 543514418 /nfs/dbraw/zinc/51/44/18/543514418.db2.gz RDZYKRHMKSEFTI-UHFFFAOYSA-N 0 3 367.497 2.210 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)C1 ZINC000247470562 549339004 /nfs/dbraw/zinc/33/90/04/549339004.db2.gz VFYSTVIAPYRQCL-NZSAHSFTSA-N 0 3 357.498 2.065 10 0 FEAEHN CN(C)C[C@@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1 ZINC000124311426 543813734 /nfs/dbraw/zinc/81/37/34/543813734.db2.gz OKOZJQVUYGJKRD-NHCUHLMSSA-N 0 3 367.493 2.307 10 0 FEAEHN Cn1cc([C@@H]2CCN(Cc3ccccc3OCC(=O)NCC3CC3)C2)cn1 ZINC000128477176 544054973 /nfs/dbraw/zinc/05/49/73/544054973.db2.gz FPFNSBXBCDCWEV-QGZVFWFLSA-N 0 3 368.481 2.315 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000129508299 544116216 /nfs/dbraw/zinc/11/62/16/544116216.db2.gz SMCXFCMEMRWLEA-QGZVFWFLSA-N 0 3 371.481 2.381 10 0 FEAEHN CCC[C@H](C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)N(C)C ZINC000129960857 544133427 /nfs/dbraw/zinc/13/34/27/544133427.db2.gz MDBGCBVQELNROM-HNAYVOBHSA-N 0 3 364.509 2.485 10 0 FEAEHN CN(CC1CCN(c2ccncc2)CC1)C(=O)[C@H]1CCn2cncc2C1 ZINC000130840971 544167807 /nfs/dbraw/zinc/16/78/07/544167807.db2.gz WWIXNWAVJKDGPV-KRWDZBQOSA-N 0 3 353.470 2.216 10 0 FEAEHN COc1ccc(CN(C[C@@H](O)CN2CCCC2=O)C(C)(C)C)c(OC)c1 ZINC000134858478 544323796 /nfs/dbraw/zinc/32/37/96/544323796.db2.gz DOFMHRRKUIKYFA-INIZCTEOSA-N 0 3 364.486 2.288 10 0 FEAEHN C[C@H](NC(=O)N[C@@H](Cc1ccccc1)CN(C)C)c1nnc2n1CCCC2 ZINC000137179115 544385955 /nfs/dbraw/zinc/38/59/55/544385955.db2.gz ALOHPKXGOXTIHY-RDJZCZTQSA-N 0 3 370.501 2.148 10 0 FEAEHN Cc1cc(C[C@H](C)NCc2c(C(C)C)nn(C)c2N2CCOCC2)[nH]n1 ZINC000136760468 544378583 /nfs/dbraw/zinc/37/85/83/544378583.db2.gz WZEPZQYOMXKEIK-AWEZNQCLSA-N 0 3 360.506 2.132 10 0 FEAEHN Cc1cc(C[C@H](C)NCc2c(C(C)C)nn(C)c2N2CCOCC2)n[nH]1 ZINC000136760468 544378585 /nfs/dbraw/zinc/37/85/85/544378585.db2.gz WZEPZQYOMXKEIK-AWEZNQCLSA-N 0 3 360.506 2.132 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000151057714 544499717 /nfs/dbraw/zinc/49/97/17/544499717.db2.gz ADAUDBYCADGJMO-CVEARBPZSA-N 0 3 361.534 2.095 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000151057826 544500380 /nfs/dbraw/zinc/50/03/80/544500380.db2.gz ADAUDBYCADGJMO-HZPDHXFCSA-N 0 3 361.534 2.095 10 0 FEAEHN Cc1c(OCCCN2CCOCC2)cc(Cl)cc1N1CCNCC1 ZINC000150197851 544460925 /nfs/dbraw/zinc/46/09/25/544460925.db2.gz VYHIONPWWCKWOF-UHFFFAOYSA-N 0 3 353.894 2.159 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2N(C)C)[C@@H](C)C1 ZINC000150780659 544470440 /nfs/dbraw/zinc/47/04/40/544470440.db2.gz QMXBIEQILDLYMI-WFASDCNBSA-N 0 3 366.893 2.189 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(OC(F)F)c(F)c2)[C@@H](C)C1 ZINC000150786867 544471789 /nfs/dbraw/zinc/47/17/89/544471789.db2.gz IGQQUXCIWUIQGH-GWCFXTLKSA-N 0 3 373.375 2.211 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cccc(COCC3CC3)c2)C1 ZINC000150794150 544472347 /nfs/dbraw/zinc/47/23/47/544472347.db2.gz WDRRJBWAJWAPPR-BEFAXECRSA-N 0 3 373.497 2.397 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)CSCC(=O)Nc2ccc(F)cc2)C1 ZINC000247515390 549349175 /nfs/dbraw/zinc/34/91/75/549349175.db2.gz YRYATXOWJWSXRN-XJKSGUPXSA-N 0 3 367.490 2.342 10 0 FEAEHN CN(C)C[C@H]1CN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)CCO1 ZINC000155265872 545006528 /nfs/dbraw/zinc/00/65/28/545006528.db2.gz RUFFLTYEDVGYJP-UNMCSNQZSA-N 0 3 370.493 2.356 10 0 FEAEHN COc1ccc([C@@H](C)N[C@@H]2CCc3ncnn3C2)cc1Cn1cccn1 ZINC000180593836 327692634 /nfs/dbraw/zinc/69/26/34/327692634.db2.gz ZFSHFHJYBGNZLG-RHSMWYFYSA-N 0 3 352.442 2.197 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)CC2 ZINC000180642811 327695119 /nfs/dbraw/zinc/69/51/19/327695119.db2.gz OGFUIPJOWDYIEH-DZGCQCFKSA-N 0 3 362.499 2.471 10 0 FEAEHN Cc1cc(Br)ccc1CC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000181977062 327755270 /nfs/dbraw/zinc/75/52/70/327755270.db2.gz ICUDABYKKGPQMY-HNNXBMFYSA-N 0 3 355.276 2.089 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(OC)cc1OCCOC ZINC000188527737 328092812 /nfs/dbraw/zinc/09/28/12/328092812.db2.gz IRGTZRWRGWHOTL-JKSUJKDBSA-N 0 3 362.470 2.419 10 0 FEAEHN O=C(NC[C@@H](O)CN1CCCCC1)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000189050883 328125680 /nfs/dbraw/zinc/12/56/80/328125680.db2.gz HTGMFKXHECTNAL-CVEARBPZSA-N 0 3 373.419 2.479 10 0 FEAEHN C[C@H](NC(=O)N(C)CC1(N(C)C)CCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000189619534 328158520 /nfs/dbraw/zinc/15/85/20/328158520.db2.gz MRTHBVHNHDTHKV-AWEZNQCLSA-N 0 3 367.515 2.277 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000190079546 328186512 /nfs/dbraw/zinc/18/65/12/328186512.db2.gz QFLPUMVFPLKRKS-SWLSCSKDSA-N 0 3 368.437 2.339 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000190080461 328186515 /nfs/dbraw/zinc/18/65/15/328186515.db2.gz RGWDNYUMXUXAIR-GDBMZVCRSA-N 0 3 372.469 2.037 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(F)ccc1OC(F)F ZINC000190077049 328186004 /nfs/dbraw/zinc/18/60/04/328186004.db2.gz FEOXLMGUBXAXQO-ZYHUDNBSSA-N 0 3 371.359 2.061 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000190079524 328186424 /nfs/dbraw/zinc/18/64/24/328186424.db2.gz QFLPUMVFPLKRKS-IUODEOHRSA-N 0 3 368.437 2.339 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000190108055 328188808 /nfs/dbraw/zinc/18/88/08/328188808.db2.gz PCSQXTOVZBHKCP-UKRRQHHQSA-N 0 3 370.478 2.444 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cnc2ccccc2c1 ZINC000190352463 328202123 /nfs/dbraw/zinc/20/21/23/328202123.db2.gz YFKFDLZAZIVDAR-DLBZAZTESA-N 0 3 352.438 2.259 10 0 FEAEHN COCc1cc(C(=O)N2CC[C@H](CN(C)Cc3scnc3C)C2)no1 ZINC000190524051 328213731 /nfs/dbraw/zinc/21/37/31/328213731.db2.gz VFZUUDJBICOBDC-CYBMUJFWSA-N 0 3 364.471 2.180 10 0 FEAEHN CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NCC(=O)Nc1nccs1 ZINC000191913421 328288444 /nfs/dbraw/zinc/28/84/44/328288444.db2.gz SSZONNAYUIIMEP-VXGBXAGGSA-N 0 3 354.476 2.365 10 0 FEAEHN CCc1cc(C(=O)N2CCC(N(CC)CC(=O)OC(C)(C)C)CC2)n[nH]1 ZINC000192102186 328299743 /nfs/dbraw/zinc/29/97/43/328299743.db2.gz NTJDABFFMWTKKV-UHFFFAOYSA-N 0 3 364.490 2.240 10 0 FEAEHN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000192364409 328315791 /nfs/dbraw/zinc/31/57/91/328315791.db2.gz ZZWNVUYLTWCTTA-GVDBMIGSSA-N 0 3 373.457 2.152 10 0 FEAEHN CN(C)c1cccc(C(=O)N(C)C2CCN(CCn3cccn3)CC2)c1 ZINC000192549812 328325339 /nfs/dbraw/zinc/32/53/39/328325339.db2.gz WKHGKADOBRGKFQ-UHFFFAOYSA-N 0 3 355.486 2.186 10 0 FEAEHN Cc1cc(C)nc(NC(=O)C(=O)N[C@@H](C)CN(C)Cc2ccccc2)c1 ZINC000193738247 328392403 /nfs/dbraw/zinc/39/24/03/328392403.db2.gz YCOATLOQJFTKKW-INIZCTEOSA-N 0 3 354.454 2.274 10 0 FEAEHN COC(=O)c1cc(CN(C)C(=O)N[C@@H](CC(C)C)CN(C)C)oc1C ZINC000194193652 328414935 /nfs/dbraw/zinc/41/49/35/328414935.db2.gz XRLGXVDSNMLRCB-AWEZNQCLSA-N 0 3 353.463 2.492 10 0 FEAEHN CC(C)[C@H](NC(=O)NC[C@H](O)CN1CCCCC1)c1nc2ccccc2[nH]1 ZINC000043104978 324539937 /nfs/dbraw/zinc/53/99/37/324539937.db2.gz DAJWBWIBHORLNQ-YJBOKZPZSA-N 0 3 373.501 2.406 10 0 FEAEHN Cc1cc(=O)c(C(=O)N[C@@H](CC(C)C)CN(C)C)nn1-c1ccccc1F ZINC000077729940 325009463 /nfs/dbraw/zinc/00/94/63/325009463.db2.gz BWZDLVHAEQZWNN-HNNXBMFYSA-N 0 3 374.460 2.386 10 0 FEAEHN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000083740204 325224151 /nfs/dbraw/zinc/22/41/51/325224151.db2.gz YSEAOELKDXAKLR-KRWDZBQOSA-N 0 3 360.506 2.329 10 0 FEAEHN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000088230707 325288086 /nfs/dbraw/zinc/28/80/86/325288086.db2.gz GZAURHXFPPGRIV-OAHLLOKOSA-N 0 3 358.442 2.380 10 0 FEAEHN C[C@H](N[C@@H]1CCCN(c2cccnn2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000089732655 325329166 /nfs/dbraw/zinc/32/91/66/325329166.db2.gz LVPMUJFZPRZHAC-GOEBONIOSA-N 0 3 360.483 2.200 10 0 FEAEHN C[C@H](NC[C@@H]1CN(C)CCO1)c1ccc(I)cc1 ZINC000091667738 325389654 /nfs/dbraw/zinc/38/96/54/325389654.db2.gz KRJRHMYEHGCGGL-SMDDNHRTSA-N 0 3 360.239 2.272 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 ZINC000105148631 325558786 /nfs/dbraw/zinc/55/87/86/325558786.db2.gz POXFRRIRDPNWBP-IRXDYDNUSA-N 0 3 360.502 2.347 10 0 FEAEHN CNc1cc(N2CCC[C@@H]2CNCc2cc(OC)ccc2OC)ncn1 ZINC000109070096 325657642 /nfs/dbraw/zinc/65/76/42/325657642.db2.gz XIYVVOCMYHNDMC-OAHLLOKOSA-N 0 3 357.458 2.294 10 0 FEAEHN COc1ccc(CC(=O)N(C)C2CCN(CCn3cccn3)CC2)cc1F ZINC000109292368 325663984 /nfs/dbraw/zinc/66/39/84/325663984.db2.gz TWBFGKVQLXHFMU-UHFFFAOYSA-N 0 3 374.460 2.196 10 0 FEAEHN O=C(c1cccc(CN2CCCC2)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111084810 325700648 /nfs/dbraw/zinc/70/06/48/325700648.db2.gz BZIRDFXOHMOSOR-IBGZPJMESA-N 0 3 354.454 2.020 10 0 FEAEHN COc1ccc(-c2nc(C(=O)N3CCO[C@H](CN(C)C)C3)cs2)cc1 ZINC000116790063 326035890 /nfs/dbraw/zinc/03/58/90/326035890.db2.gz MTHMOEVGCUQVPT-OAHLLOKOSA-N 0 3 361.467 2.221 10 0 FEAEHN Cc1nc(Cc2ccccc2)sc1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000116795571 326036762 /nfs/dbraw/zinc/03/67/62/326036762.db2.gz VFGPHOLFEUDKEQ-INIZCTEOSA-N 0 3 359.495 2.445 10 0 FEAEHN CC(C)[C@H](C)NC(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000117059096 326049792 /nfs/dbraw/zinc/04/97/92/326049792.db2.gz NXJVYWBGIBBGHH-LBPRGKRZSA-N 0 3 355.866 2.380 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cnn(-c2ccccc2)c1C ZINC000119061764 326123207 /nfs/dbraw/zinc/12/32/07/326123207.db2.gz LAIHJLGGMLZXAJ-QGZVFWFLSA-N 0 3 369.469 2.062 10 0 FEAEHN C[C@H](NC(=O)[C@H](C)N1CCO[C@@H](CN(C)C)C1)c1cc2ccccc2o1 ZINC000245949013 328581380 /nfs/dbraw/zinc/58/13/80/328581380.db2.gz XZWAQLSAKJNQBI-ZOBUZTSGSA-N 0 3 359.470 2.261 10 0 FEAEHN CCO[C@@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)c1ccccc1 ZINC000119801649 326199907 /nfs/dbraw/zinc/19/99/07/326199907.db2.gz DULQJMBXGJIAFN-LEWJYISDSA-N 0 3 368.477 2.300 10 0 FEAEHN CC(C)OCCN1CCC(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000119894629 326210404 /nfs/dbraw/zinc/21/04/04/326210404.db2.gz SEPIFXZLYQWIMR-FXAWDEMLSA-N 0 3 367.534 2.212 10 0 FEAEHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccco1)c1nnc2n1CCCC2 ZINC000121402001 326336075 /nfs/dbraw/zinc/33/60/75/326336075.db2.gz KGEDUZAQKPOVIF-AWEZNQCLSA-N 0 3 360.462 2.042 10 0 FEAEHN Cn1cc(CN2CCCN(Cc3ccc(N4CCCC4)nc3)CC2)cn1 ZINC000121562279 326348246 /nfs/dbraw/zinc/34/82/46/326348246.db2.gz YSYRUAWYLLRWQR-UHFFFAOYSA-N 0 3 354.502 2.123 10 0 FEAEHN COc1c(F)cc(NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C)cc1F ZINC000121867855 326372741 /nfs/dbraw/zinc/37/27/41/326372741.db2.gz WIYDTSDFTDPIRH-LBPRGKRZSA-N 0 3 357.401 2.004 10 0 FEAEHN O=C1CNC(=O)N1CCN[C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000134106424 326619864 /nfs/dbraw/zinc/61/98/64/326619864.db2.gz ZVZFNNXJKQNNDL-CYBMUJFWSA-N 0 3 356.451 2.329 10 0 FEAEHN CN(C)CCOc1ccccc1C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000151522764 326684530 /nfs/dbraw/zinc/68/45/30/326684530.db2.gz DUPBNTXDLBSHDQ-KRWDZBQOSA-N 0 3 355.438 2.316 10 0 FEAEHN CCOc1cc(Cl)ccc1CNC(=O)NC[C@H](O)CN1CCCCC1 ZINC000152152974 326700161 /nfs/dbraw/zinc/70/01/61/326700161.db2.gz ICFBQGOKGRRSPV-INIZCTEOSA-N 0 3 369.893 2.385 10 0 FEAEHN CCOc1cc(Cl)ccc1CNC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000152153060 326700221 /nfs/dbraw/zinc/70/02/21/326700221.db2.gz ICFBQGOKGRRSPV-MRXNPFEDSA-N 0 3 369.893 2.385 10 0 FEAEHN CN(C)CCOc1cccc(CNC(=O)N2CCC(c3cc[nH]n3)CC2)c1 ZINC000156070021 326816285 /nfs/dbraw/zinc/81/62/85/326816285.db2.gz SOMCWLHXLOFXTI-UHFFFAOYSA-N 0 3 371.485 2.439 10 0 FEAEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000157266001 326860470 /nfs/dbraw/zinc/86/04/70/326860470.db2.gz VCANUHBVGQUAJK-GOSISDBHSA-N 0 3 355.486 2.472 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC[C@H](C)N1CCC(C)CC1)CC2 ZINC000157921335 326879108 /nfs/dbraw/zinc/87/91/08/326879108.db2.gz YSEOJRVTDVXCNB-HOTGVXAUSA-N 0 3 362.522 2.136 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000170832487 327101406 /nfs/dbraw/zinc/10/14/06/327101406.db2.gz AWVXXDOPKQNLRO-OAHLLOKOSA-N 0 3 352.866 2.404 10 0 FEAEHN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000170861567 327103297 /nfs/dbraw/zinc/10/32/97/327103297.db2.gz CWYWFOLZZRQJEE-DLBZAZTESA-N 0 3 363.527 2.009 10 0 FEAEHN COc1ccc([C@H](CNC(=O)N2CC[C@H](N(C)C)C2)N2CCCC2)cc1 ZINC000170862281 327103379 /nfs/dbraw/zinc/10/33/79/327103379.db2.gz MAVINDGWSHYQFR-HKUYNNGSSA-N 0 3 360.502 2.178 10 0 FEAEHN CN(Cc1nnc(-c2ccco2)o1)C1CCN(CCn2cccn2)CC1 ZINC000170942403 327109125 /nfs/dbraw/zinc/10/91/25/327109125.db2.gz JFBWNLPPNQLRLI-UHFFFAOYSA-N 0 3 356.430 2.123 10 0 FEAEHN CCOc1ccc([C@H](C)NC(=O)CN2CCN3CCC[C@@H]3C2)cc1OC ZINC000170958856 327110163 /nfs/dbraw/zinc/11/01/63/327110163.db2.gz MRDAHJWKFJOFGC-DOTOQJQBSA-N 0 3 361.486 2.051 10 0 FEAEHN Cc1c(C(=O)N2CCN3CCC[C@H]3C2)nnn1-c1cccc2cnccc21 ZINC000171716495 327157368 /nfs/dbraw/zinc/15/73/68/327157368.db2.gz RBCILKFBQGNEFA-INIZCTEOSA-N 0 3 362.437 2.044 10 0 FEAEHN O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)N1CCN2CCC[C@@H]2C1 ZINC000171899292 327168234 /nfs/dbraw/zinc/16/82/34/327168234.db2.gz GEZFNMQPCTYLSO-LJQANCHMSA-N 0 3 370.497 2.302 10 0 FEAEHN COc1ccccc1N1CC[C@@H](CNC(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000171906107 327169460 /nfs/dbraw/zinc/16/94/60/327169460.db2.gz SHVUSJIFKXCMNZ-DLBZAZTESA-N 0 3 358.486 2.011 10 0 FEAEHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000172046908 327177810 /nfs/dbraw/zinc/17/78/10/327177810.db2.gz FKQVRMLVEDDFFO-QGZVFWFLSA-N 0 3 357.458 2.283 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NCCOc2cccc3ccccc32)CCO1 ZINC000172125624 327182238 /nfs/dbraw/zinc/18/22/38/327182238.db2.gz RZSKDPZBFSYPGE-KRWDZBQOSA-N 0 3 357.454 2.191 10 0 FEAEHN C[C@H](C(=O)N[C@H](CN(C)C)c1ccccc1)n1nnc(-c2ccccc2)n1 ZINC000173142969 327237410 /nfs/dbraw/zinc/23/74/10/327237410.db2.gz FAWAGYUASXBOLW-CRAIPNDOSA-N 0 3 364.453 2.320 10 0 FEAEHN Cc1ncc(CN2CCN(C(=O)[C@@H](C)N3CCCCCC3)CC2)s1 ZINC000173287358 327247191 /nfs/dbraw/zinc/24/71/91/327247191.db2.gz AZXLHELKNHWIQQ-OAHLLOKOSA-N 0 3 350.532 2.360 10 0 FEAEHN O=C(NC1CCN(Cc2ccccc2)CC1)N1CCC[C@@H](n2cncn2)C1 ZINC000173305218 327248446 /nfs/dbraw/zinc/24/84/46/327248446.db2.gz JMENCSYSPQFLOA-LJQANCHMSA-N 0 3 368.485 2.289 10 0 FEAEHN C[C@@H](CNC(=O)NC[C@H](O)CN1CCCCC1)Sc1ccccc1 ZINC000173313076 327249171 /nfs/dbraw/zinc/24/91/71/327249171.db2.gz DRPOFVCENMTHST-HOTGVXAUSA-N 0 3 351.516 2.313 10 0 FEAEHN COc1cccc(-c2noc([C@@H](C)NC(=O)N3CC[C@H](N(C)C)C3)n2)c1 ZINC000173520353 327263436 /nfs/dbraw/zinc/26/34/36/327263436.db2.gz TUQHXFXFAXEMLK-OCCSQVGLSA-N 0 3 359.430 2.152 10 0 FEAEHN Cc1ccc([C@H](CN[C@@H](C)C(=O)NC(C)(C)C)N2CCOCC2)s1 ZINC000173646128 327273356 /nfs/dbraw/zinc/27/33/56/327273356.db2.gz ZFBSLGBGANOMBQ-GJZGRUSLSA-N 0 3 353.532 2.323 10 0 FEAEHN Cc1ccc([C@@H](CN[C@@H](C)C(=O)NC(C)(C)C)N2CCOCC2)s1 ZINC000173646113 327273454 /nfs/dbraw/zinc/27/34/54/327273454.db2.gz ZFBSLGBGANOMBQ-LSDHHAIUSA-N 0 3 353.532 2.323 10 0 FEAEHN C[C@H](NC(=O)NC[C@H](O)CN1CCCCC1)c1cccc(-n2cccn2)c1 ZINC000173697525 327277778 /nfs/dbraw/zinc/27/77/78/327277778.db2.gz PJAMITHURIBWHT-LPHOPBHVSA-N 0 3 371.485 2.079 10 0 FEAEHN CN(C)C[C@@H]1CN(CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CCO1 ZINC000173702185 327278277 /nfs/dbraw/zinc/27/82/77/327278277.db2.gz ZKLWLZZNUSJRNE-GOSISDBHSA-N 0 3 365.493 2.215 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000173726903 327279538 /nfs/dbraw/zinc/27/95/38/327279538.db2.gz KTGYPULMWFGMGN-QWHCGFSZSA-N 0 3 368.890 2.235 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000173915801 327294348 /nfs/dbraw/zinc/29/43/48/327294348.db2.gz QUSAHZOLDJWWQU-UYTSQGDYSA-N 0 3 366.506 2.262 10 0 FEAEHN CNc1cc(N2CCC[C@@H]2CN[C@@H](C)C(=O)NC2CCC(C)CC2)ncn1 ZINC000174285093 327317070 /nfs/dbraw/zinc/31/70/70/327317070.db2.gz DXGAOPXSHJOXGV-ODZFXCKXSA-N 0 3 374.533 2.160 10 0 FEAEHN CCOCCN1CCN(CCC(=O)Nc2cccc(OC)c2)C[C@H]1CC ZINC000174782764 327350912 /nfs/dbraw/zinc/35/09/12/327350912.db2.gz UUACCZAVCFCPFG-GOSISDBHSA-N 0 3 363.502 2.457 10 0 FEAEHN C[C@@H](CNC(=O)N1CCC[C@@H](n2cncn2)C1)N(C)Cc1ccccc1 ZINC000174833507 327353966 /nfs/dbraw/zinc/35/39/66/327353966.db2.gz WHNBGRDIJHHULO-FUHWJXTLSA-N 0 3 356.474 2.145 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CNC[C@@]1(C)CCCC[C@@H]1O ZINC000174938863 327362158 /nfs/dbraw/zinc/36/21/58/327362158.db2.gz RXIJBAAKTXKRKQ-FXAWDEMLSA-N 0 3 364.534 2.411 10 0 FEAEHN CSCCCNC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000175072944 327372287 /nfs/dbraw/zinc/37/22/87/327372287.db2.gz YZRDJUMNDKZWTN-SFHVURJKSA-N 0 3 365.543 2.484 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000175223313 327381082 /nfs/dbraw/zinc/38/10/82/327381082.db2.gz QCDNYDVAFNEIJM-OAHLLOKOSA-N 0 3 374.453 2.380 10 0 FEAEHN COC(C)(C)C[C@H](C)NC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000175963195 327424738 /nfs/dbraw/zinc/42/47/38/327424738.db2.gz MKHKKUYSRWINMU-INIZCTEOSA-N 0 3 365.522 2.193 10 0 FEAEHN Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CCCn3ncnc32)CC1 ZINC000177344722 327515477 /nfs/dbraw/zinc/51/54/77/327515477.db2.gz FEYIEZPCDMPRGW-GOSISDBHSA-N 0 3 368.485 2.385 10 0 FEAEHN O=C(NC1CCN(CCc2ccccc2)CC1)N[C@@H]1CCCn2ncnc21 ZINC000177355127 327516465 /nfs/dbraw/zinc/51/64/65/327516465.db2.gz JJXGFHCQEBFRCZ-GOSISDBHSA-N 0 3 368.485 2.119 10 0 FEAEHN CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)c1cncc([O-])c1 ZINC000178843576 327610746 /nfs/dbraw/zinc/61/07/46/327610746.db2.gz GFLSPPNBMSWABP-FQEVSTJZSA-N 0 3 369.465 2.305 10 0 FEAEHN C[C@H](NC[C@H](c1cccs1)N1CCO[C@H](C)C1)C(=O)NC(C)(C)C ZINC000246897705 328653623 /nfs/dbraw/zinc/65/36/23/328653623.db2.gz HLKGSEGLZUNRSK-QLFBSQMISA-N 0 3 353.532 2.403 10 0 FEAEHN C[C@@H]1[NH2+]CCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000262738452 328885659 /nfs/dbraw/zinc/88/56/59/328885659.db2.gz BFQHWUHMHMGRCK-WCBMZHEXSA-N 0 3 351.241 2.007 10 0 FEAEHN Cc1cc(C)n(Cc2cccc(-c3nc([C@H]4CNCCN4C)no3)c2)n1 ZINC000263146579 328919828 /nfs/dbraw/zinc/91/98/28/328919828.db2.gz CSLXBCPXMGYYJG-QGZVFWFLSA-N 0 3 352.442 2.174 10 0 FEAEHN COc1cccc(/C=C/c2nc([C@@H]3CNCCN3C)no2)c1OC(F)F ZINC000263187062 328923520 /nfs/dbraw/zinc/92/35/20/328923520.db2.gz HMNPVZYKHKTMOY-SYTKJHMZSA-N 0 3 366.368 2.426 10 0 FEAEHN CC[C@H](C)n1ncc2c1nc(C)cc2-c1nc([C@H]2CNCCN2C)no1 ZINC000263254303 328928575 /nfs/dbraw/zinc/92/85/75/328928575.db2.gz QHLPXGPGMHRJQN-SWLSCSKDSA-N 0 3 355.446 2.337 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(Cc2cn3cc(Cl)cc(Cl)c3n2)n1 ZINC000263266434 328929290 /nfs/dbraw/zinc/92/92/90/328929290.db2.gz RPPLCOCIPAFTGU-GFCCVEGCSA-N 0 3 367.240 2.191 10 0 FEAEHN C[C@@H]1CN(c2ccc(C(=O)N3C[C@@H]4CCCN4C[C@@H]3C)cn2)C[C@H](C)O1 ZINC000247557617 549356272 /nfs/dbraw/zinc/35/62/72/549356272.db2.gz ZTKUMZVGOUYZSY-CUSZFKRNSA-N 0 3 358.486 2.004 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@@H](CN(C)C)c1ccccc1)CC2 ZINC000155637205 545551790 /nfs/dbraw/zinc/55/17/90/545551790.db2.gz HNGUMDKPBHIPMH-IRXDYDNUSA-N 0 3 370.501 2.318 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(N3CCCCCC3)c2)C1 ZINC000156687276 545647352 /nfs/dbraw/zinc/64/73/52/545647352.db2.gz PMTDXXRRNDNNNS-GOSISDBHSA-N 0 3 358.486 2.168 10 0 FEAEHN Cc1csc([C@H]2CCCN(CCCN3C(=O)NC(C)(C)C3=O)C2)n1 ZINC000156962048 545683953 /nfs/dbraw/zinc/68/39/53/545683953.db2.gz BLMSTLIAPHOZLF-ZDUSSCGKSA-N 0 3 350.488 2.351 10 0 FEAEHN C(N1CCO[C@H]2CCCC[C@H]21)C1(CN2CCO[C@H]3CCCC[C@@H]32)COC1 ZINC000157800138 545785627 /nfs/dbraw/zinc/78/56/27/545785627.db2.gz ZJGGUTZTWWVYJQ-YRPNKDGESA-N 0 3 364.530 2.290 10 0 FEAEHN COc1cccc(N2CCC[C@H](NC(=O)N3CCN4CCC[C@@H]4C3)C2)c1 ZINC000172339343 546248929 /nfs/dbraw/zinc/24/89/29/546248929.db2.gz XFUXBIAHZMPNSM-FUHWJXTLSA-N 0 3 358.486 2.154 10 0 FEAEHN C[C@@H](O)CN1CCN(Cc2ccc(I)cc2)C[C@H]1C ZINC000173676227 546285239 /nfs/dbraw/zinc/28/52/39/546285239.db2.gz GIPAHVLTKKBWTI-CHWSQXEVSA-N 0 3 374.266 2.178 10 0 FEAEHN COc1cc(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)ccc1OC(F)F ZINC000175587573 546315397 /nfs/dbraw/zinc/31/53/97/546315397.db2.gz ZZWFOUYPAWLIIY-ZFWWWQNUSA-N 0 3 356.413 2.449 10 0 FEAEHN C[C@@H](NC(=O)NCc1ccccc1CN1CCC(O)CC1)[C@H]1CCCO1 ZINC000175857488 546362705 /nfs/dbraw/zinc/36/27/05/546362705.db2.gz ITEDAWGXDXFOSN-DNVCBOLYSA-N 0 3 361.486 2.010 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1cc(C(=O)N(C)C)ccc1OC ZINC000176315036 546430977 /nfs/dbraw/zinc/43/09/77/546430977.db2.gz VHYKLCOVLQLENU-HNNXBMFYSA-N 0 3 362.474 2.345 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCCCC(=O)N1CCc2ccccc21 ZINC000176352770 546435425 /nfs/dbraw/zinc/43/54/25/546435425.db2.gz QSFFHKPUDDPPCJ-GOSISDBHSA-N 0 3 372.513 2.482 10 0 FEAEHN O=C(Nc1cnccc1-c1cccc(F)c1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000176417111 546442760 /nfs/dbraw/zinc/44/27/60/546442760.db2.gz CFLMRXWADAPMEQ-INIZCTEOSA-N 0 3 368.412 2.133 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(OC(C)C)cc1F ZINC000176904162 546504802 /nfs/dbraw/zinc/50/48/02/546504802.db2.gz UZAWSTVALLRTST-CQSZACIVSA-N 0 3 365.449 2.494 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1nn(-c2ccccc2)c(C)cc1=O ZINC000177019105 546525421 /nfs/dbraw/zinc/52/54/21/546525421.db2.gz LFAONMBDGMXEJT-KRWDZBQOSA-N 0 3 354.454 2.097 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1 ZINC000177034638 546528210 /nfs/dbraw/zinc/52/82/10/546528210.db2.gz NFJCWXHIXRFBSK-OALUTQOASA-N 0 3 357.498 2.429 10 0 FEAEHN CC(C)c1nc([C@H]2CCCN2C(=O)Nc2ccn(CCN(C)C)n2)no1 ZINC000177071880 546539915 /nfs/dbraw/zinc/53/99/15/546539915.db2.gz WLYPSAGUBFAYPL-CYBMUJFWSA-N 0 3 361.450 2.320 10 0 FEAEHN C[C@@H]1CN(CCCc2nc(-c3ccccc3)no2)C[C@@H]1N1CCOCC1 ZINC000177237635 546576883 /nfs/dbraw/zinc/57/68/83/546576883.db2.gz ARTXQHOJNBCQDH-AEFFLSMTSA-N 0 3 356.470 2.322 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1cccc(CN2CCCC2=O)c1 ZINC000177364057 546601651 /nfs/dbraw/zinc/60/16/51/546601651.db2.gz KGWPTCQESSSZPW-LJQANCHMSA-N 0 3 372.513 2.435 10 0 FEAEHN COCCN1CCC(NC(=O)N2CCC[C@H]2c2noc(C(C)C)n2)CC1 ZINC000177453118 546621782 /nfs/dbraw/zinc/62/17/82/546621782.db2.gz ZYXOZGSZYDTVLB-HNNXBMFYSA-N 0 3 365.478 2.150 10 0 FEAEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)COCC1CC1 ZINC000177462653 546624266 /nfs/dbraw/zinc/62/42/66/546624266.db2.gz GNDIYFBGYONLQY-HXUWFJFHSA-N 0 3 360.498 2.317 10 0 FEAEHN CCCOc1ccc(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)cc1Cl ZINC000177680650 546666394 /nfs/dbraw/zinc/66/63/94/546666394.db2.gz GGJUIRIJYARLDP-CQSZACIVSA-N 0 3 365.861 2.374 10 0 FEAEHN O=C(Nc1nc(-c2ccccc2F)cs1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177692234 546669070 /nfs/dbraw/zinc/66/90/70/546669070.db2.gz MXEIWHNZISNXAT-LBPRGKRZSA-N 0 3 374.441 2.194 10 0 FEAEHN O=C(Nc1cccc(Oc2ccncc2)c1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177697535 546670295 /nfs/dbraw/zinc/67/02/95/546670295.db2.gz PPCGRKBLOHYNNC-INIZCTEOSA-N 0 3 366.421 2.119 10 0 FEAEHN CNC(=O)[C@H](NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)C(C)C ZINC000178411534 546789649 /nfs/dbraw/zinc/78/96/49/546789649.db2.gz YEURRTALCJWQJH-IMJJTQAJSA-N 0 3 366.531 2.201 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2scnc2c1 ZINC000178626392 546823162 /nfs/dbraw/zinc/82/31/62/546823162.db2.gz BWMSDYDXSJRJJN-CQSZACIVSA-N 0 3 360.483 2.471 10 0 FEAEHN COCc1cccc(CNC(=O)CN2CCC[C@H]2Cn2ccnc2C)c1 ZINC000178746250 546842523 /nfs/dbraw/zinc/84/25/23/546842523.db2.gz KJTTYHYICCTXCS-IBGZPJMESA-N 0 3 356.470 2.119 10 0 FEAEHN CCOC(=O)c1nn(-c2ccccc2)cc1CN1CCN2CCC[C@@H]2C1 ZINC000179547082 546975602 /nfs/dbraw/zinc/97/56/02/546975602.db2.gz HUGNBKNRFMIPDK-GOSISDBHSA-N 0 3 354.454 2.329 10 0 FEAEHN O=C(NC[C@@H](O)CN1CCCCC1)N[C@H]1CCCOc2cc(F)ccc21 ZINC000180598606 547139254 /nfs/dbraw/zinc/13/92/54/547139254.db2.gz AVDPPJDHWPIPQB-WBVHZDCISA-N 0 3 365.449 2.185 10 0 FEAEHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)N[C@@H]1COc2ccccc21 ZINC000181595568 547342471 /nfs/dbraw/zinc/34/24/71/547342471.db2.gz QELFXGGSGFYCIU-PKOBYXMFSA-N 0 3 367.449 2.186 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000181887492 547398630 /nfs/dbraw/zinc/39/86/30/547398630.db2.gz SILAUCKIQJHORX-KRWDZBQOSA-N 0 3 367.453 2.025 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1ccc(N2CCOC2=O)cc1 ZINC000181907439 547402878 /nfs/dbraw/zinc/40/28/78/547402878.db2.gz ARTMAKGQMCZVJA-QGZVFWFLSA-N 0 3 360.458 2.269 10 0 FEAEHN CC[C@@H]1CN(Cc2cc(C(=O)OC)ccc2Cl)CCN1C[C@@H](C)O ZINC000181923949 547406110 /nfs/dbraw/zinc/40/61/10/547406110.db2.gz FFWINOVWFORGCX-CZUORRHYSA-N 0 3 354.878 2.404 10 0 FEAEHN Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC[C@H](n3cncn3)C2)c1 ZINC000182355528 547478322 /nfs/dbraw/zinc/47/83/22/547478322.db2.gz NWJSYIJJSNGNFB-GJZGRUSLSA-N 0 3 350.850 2.317 10 0 FEAEHN CCCCN1CCOC[C@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000184171832 547781140 /nfs/dbraw/zinc/78/11/40/547781140.db2.gz SBSUATSRAPBJDH-FQEVSTJZSA-N 0 3 359.514 2.268 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(F)c(OC)cc1C ZINC000184877694 547892845 /nfs/dbraw/zinc/89/28/45/547892845.db2.gz PBSJVLQMSBQVBO-CYBMUJFWSA-N 0 3 351.422 2.024 10 0 FEAEHN CCO[C@@H]1C[C@H](NCc2nc(COc3ccccc3)n[nH]2)C12CCOCC2 ZINC000186424719 548132828 /nfs/dbraw/zinc/13/28/28/548132828.db2.gz YTLPRNFRTDIOQD-DLBZAZTESA-N 0 3 372.469 2.448 10 0 FEAEHN COC(=O)C1(CNC(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000186787073 548193590 /nfs/dbraw/zinc/19/35/90/548193590.db2.gz JBMLHMFTJMYNLR-QGZVFWFLSA-N 0 3 359.470 2.294 10 0 FEAEHN CCc1cc(C(=O)N2CC[C@H](CN(C)Cc3scnc3C)C2)cc(=O)[nH]1 ZINC000190550032 548327442 /nfs/dbraw/zinc/32/74/42/548327442.db2.gz WSZXMLSBMJYDIB-CQSZACIVSA-N 0 3 374.510 2.296 10 0 FEAEHN Cc1ccc(CCNC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)cn1 ZINC000190710071 548333080 /nfs/dbraw/zinc/33/30/80/548333080.db2.gz SGTXGENBEKZQFG-HXUWFJFHSA-N 0 3 367.497 2.491 10 0 FEAEHN Cc1csc([C@@H]2CN(C(=O)NCCN3CCC(C)CC3)CCO2)n1 ZINC000194069063 548430379 /nfs/dbraw/zinc/43/03/79/548430379.db2.gz ILUPUQLJZXFZHC-HNNXBMFYSA-N 0 3 352.504 2.266 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(CC(=O)Nc2nccs2)C1 ZINC000195254846 548604014 /nfs/dbraw/zinc/60/40/14/548604014.db2.gz ZUPUCSGLPLUNOS-ZDUSSCGKSA-N 0 3 365.528 2.300 10 0 FEAEHN C[C@@H](C(=O)N1CCC(C)CC1)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195277977 548610486 /nfs/dbraw/zinc/61/04/86/548610486.db2.gz BKSBBSFGZDUUSI-AZUAARDMSA-N 0 3 358.530 2.482 10 0 FEAEHN O=C(CCc1ccccc1)N1CCC(C(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000195330681 548625894 /nfs/dbraw/zinc/62/58/94/548625894.db2.gz DDTSIPLXAGCEQO-HXUWFJFHSA-N 0 3 369.509 2.164 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1 ZINC000245431639 548917300 /nfs/dbraw/zinc/91/73/00/548917300.db2.gz NFJCWXHIXRFBSK-RBUKOAKNSA-N 0 3 357.498 2.429 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C[C@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000245435650 548919073 /nfs/dbraw/zinc/91/90/73/548919073.db2.gz SXJJEHDIJPVZFT-QZTJIDSGSA-N 0 3 366.550 2.397 10 0 FEAEHN CC[C@@H]1CCCCN1C(=O)[C@@H](C)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000245474072 548931229 /nfs/dbraw/zinc/93/12/29/548931229.db2.gz QNMRGGIHRDHQPR-BRWVUGGUSA-N 0 3 374.533 2.256 10 0 FEAEHN C[C@@H]1CN(Cc2ccc(OC[C@H]3CCCO3)cc2)C[C@H]1N1CCOCC1 ZINC000245512762 548937054 /nfs/dbraw/zinc/93/70/54/548937054.db2.gz AXCZLPRIYKCPHU-DUXKGJEZSA-N 0 3 360.498 2.397 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000245632516 548961494 /nfs/dbraw/zinc/96/14/94/548961494.db2.gz IIDTXLLQNFTCTQ-WKCGWZECSA-N 0 3 359.445 2.040 10 0 FEAEHN O=C1CCCN1C[C@H](O)CN1CCC[C@H](COc2ccccc2Cl)C1 ZINC000245758327 548989617 /nfs/dbraw/zinc/98/96/17/548989617.db2.gz FCQCSHGYFYJUSB-JKSUJKDBSA-N 0 3 366.889 2.414 10 0 FEAEHN CC[C@H]1CN(Cc2cc(O)ccc2Br)CCN1C[C@H](C)O ZINC000245787026 548994335 /nfs/dbraw/zinc/99/43/35/548994335.db2.gz VJYFKRBIJOVSBL-JSGCOSHPSA-N 0 3 357.292 2.432 10 0 FEAEHN COc1cc(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)ccc1OC(=O)C1CC1 ZINC000245803225 548997963 /nfs/dbraw/zinc/99/79/63/548997963.db2.gz YDFMMCWMSNEAGO-CRAIPNDOSA-N 0 3 374.481 2.163 10 0 FEAEHN CCC(CC)[C@@H]1C[C@@H](NC(=O)NC[C@@H](O)CN2CCCCC2)CCO1 ZINC000245983029 549031268 /nfs/dbraw/zinc/03/12/68/549031268.db2.gz PPQISMXKSMRPAG-KSZLIROESA-N 0 3 355.523 2.116 10 0 FEAEHN COc1cc(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)ccc1OC(F)F ZINC000246223169 549082742 /nfs/dbraw/zinc/08/27/42/549082742.db2.gz ZZWFOUYPAWLIIY-UKRRQHHQSA-N 0 3 356.413 2.449 10 0 FEAEHN O[C@@H](COc1ccccc1Cl)CN1CCC[C@@H](Cn2cncn2)C1 ZINC000246237511 549087085 /nfs/dbraw/zinc/08/70/85/549087085.db2.gz IEUWENOLTNHCLC-HUUCEWRRSA-N 0 3 350.850 2.083 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(OCC3CC3)cc2)C1 ZINC000246277435 549095034 /nfs/dbraw/zinc/09/50/34/549095034.db2.gz BFEWMXHKVQMDBL-RDTXWAMCSA-N 0 3 359.470 2.259 10 0 FEAEHN COc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000246318183 549104977 /nfs/dbraw/zinc/10/49/77/549104977.db2.gz FIJVRTSEQVQHHG-XJKSGUPXSA-N 0 3 362.474 2.247 10 0 FEAEHN O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)N1CCN2CCC[C@H]2C1 ZINC000246327809 549105858 /nfs/dbraw/zinc/10/58/58/549105858.db2.gz XPSNMTBSZNSXLC-KGLIPLIRSA-N 0 3 350.413 2.033 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000246348148 549111337 /nfs/dbraw/zinc/11/13/37/549111337.db2.gz HPTGDSRVRJSPET-SMDDNHRTSA-N 0 3 357.376 2.489 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cccc(OC(F)(F)F)c2)C1 ZINC000246461724 549139714 /nfs/dbraw/zinc/13/97/14/549139714.db2.gz PKODZOUHGHYHBK-SMDDNHRTSA-N 0 3 373.375 2.369 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)NC[C@@H](O)CN2CCCCC2)C12CCCCC2 ZINC000246785240 549212087 /nfs/dbraw/zinc/21/20/87/549212087.db2.gz ZRFZKNBLTPXZMG-FGTMMUONSA-N 0 3 367.534 2.260 10 0 FEAEHN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000246809469 549218554 /nfs/dbraw/zinc/21/85/54/549218554.db2.gz CBECMDFLSDQBLN-KDOFPFPSSA-N 0 3 366.465 2.367 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)Cc1ccc(Br)cc1 ZINC000246967217 549254118 /nfs/dbraw/zinc/25/41/18/549254118.db2.gz IXUVRDLQMRSNJG-WFASDCNBSA-N 0 3 373.316 2.447 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000247050123 549272772 /nfs/dbraw/zinc/27/27/72/549272772.db2.gz GXMDMTZDWFCXAZ-HOJAQTOUSA-N 0 3 369.509 2.163 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NC[C@H](c2c(F)cccc2F)N(C)C)C1 ZINC000247269283 549310199 /nfs/dbraw/zinc/31/01/99/549310199.db2.gz RBMMXZACLGFXOV-XJKSGUPXSA-N 0 3 354.445 2.351 10 0 FEAEHN COc1ccccc1N1CC[C@@H](CNC(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000247595761 549364816 /nfs/dbraw/zinc/36/48/16/549364816.db2.gz SHVUSJIFKXCMNZ-IRXDYDNUSA-N 0 3 358.486 2.011 10 0 FEAEHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C[C@@H](O)COC(C)(C)C)C1 ZINC000247644817 549368363 /nfs/dbraw/zinc/36/83/63/549368363.db2.gz UFOWGEYNDIJWBY-ZIAGYGMSSA-N 0 3 368.440 2.285 10 0 FEAEHN O[C@H](COc1cccc(C(F)(F)F)c1)CN1CCC[C@@H](n2cncn2)C1 ZINC000247808916 549382978 /nfs/dbraw/zinc/38/29/78/549382978.db2.gz UFKQDUFDRVLNOD-CABCVRRESA-N 0 3 370.375 2.374 10 0 FEAEHN Cc1ccc2c(c1)[C@H](NC(=O)NC[C@H](C)CN1CCN(C)CC1)[C@H](C)C2 ZINC000248619679 549469222 /nfs/dbraw/zinc/46/92/22/549469222.db2.gz XRZJRZCNCWKFCM-SQGPQFPESA-N 0 3 358.530 2.411 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)C12CCOCC2 ZINC000248716725 549489480 /nfs/dbraw/zinc/48/94/80/549489480.db2.gz NUGNFAJYZPJFNH-VSZNYVQBSA-N 0 3 367.534 2.380 10 0 FEAEHN COC[C@@H](C)CNC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000249399180 549588215 /nfs/dbraw/zinc/58/82/15/549588215.db2.gz BFRCBYIVDSWLCE-DZGCQCFKSA-N 0 3 354.520 2.197 10 0 FEAEHN COCC[C@@H](C)NC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000251438665 549646574 /nfs/dbraw/zinc/64/65/74/549646574.db2.gz CGYLXUSDSKJARN-UKRRQHHQSA-N 0 3 354.520 2.340 10 0 FEAEHN N[C@H](C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1)C1CCOCC1 ZINC000261667085 549740897 /nfs/dbraw/zinc/74/08/97/549740897.db2.gz FZXSGLDHNWJHDS-IBGZPJMESA-N 0 3 353.422 2.376 10 0 FEAEHN NC1(C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)CCOCC1 ZINC000261929928 549770898 /nfs/dbraw/zinc/77/08/98/549770898.db2.gz WBRHVOFTAOYEIS-QGZVFWFLSA-N 0 3 365.905 2.319 10 0 FEAEHN COc1ccc(-n2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3COCCN3)n2)cc1 ZINC000261954449 549773818 /nfs/dbraw/zinc/77/38/18/549773818.db2.gz OUFWNOWWJCAESM-XUVXKRRUSA-N 0 3 356.470 2.128 10 0 FEAEHN COCCSc1ccc([C@@H](C)NC(=O)[C@@H](N)C2CCOCC2)cc1 ZINC000262006455 549778629 /nfs/dbraw/zinc/77/86/29/549778629.db2.gz NVIIOPYJXQEQPB-DYVFJYSZSA-N 0 3 352.500 2.356 10 0 FEAEHN COc1ccc(CN2CCC(CNC(=O)[C@H]3CC(F)(F)CN3)CC2)cc1 ZINC000263010879 549871086 /nfs/dbraw/zinc/87/10/86/549871086.db2.gz PTEOSYIIXGJLRJ-QGZVFWFLSA-N 0 3 367.440 2.021 10 0 FEAEHN CCCN(CC)C(=O)c1ccc(-c2nc([C@H]3CNCCN3C)no2)cc1 ZINC000263240675 549888386 /nfs/dbraw/zinc/88/83/86/549888386.db2.gz ONPHHSQRCRHMDJ-MRXNPFEDSA-N 0 3 357.458 2.185 10 0 FEAEHN Cc1ccccc1C(=O)N[C@@H](c1nc([C@H]2CNCCN2C)no1)C(C)C ZINC000263301622 549893635 /nfs/dbraw/zinc/89/36/35/549893635.db2.gz XDJTUUOXIZHRMG-HZPDHXFCSA-N 0 3 357.458 2.081 10 0 FEAEHN CN1CCNC[C@@H]1c1noc([C@H]2CCCN2C(=O)Nc2ccccc2)n1 ZINC000263317882 549894825 /nfs/dbraw/zinc/89/48/25/549894825.db2.gz ZSXVYJNEISHEDU-HUUCEWRRSA-N 0 3 356.430 2.015 10 0 FEAEHN CCc1c(C)nc2ccccc2c1N1CCN(CCS(C)(=O)=O)CC1 ZINC000302024340 553698693 /nfs/dbraw/zinc/69/86/93/553698693.db2.gz HBXQBZXRUOTGQY-UHFFFAOYSA-N 0 3 361.511 2.272 10 0 FEAEHN Cn1cc([C@@H]2CN(Cc3c(F)cccc3N3CCCC3)C[C@H]2CO)cn1 ZINC000368472038 556319956 /nfs/dbraw/zinc/31/99/56/556319956.db2.gz VDVNXCKEBQWMDM-IRXDYDNUSA-N 0 3 358.461 2.367 10 0 FEAEHN CC(C)CN(CCN(C)C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000045254058 670201746 /nfs/dbraw/zinc/20/17/46/670201746.db2.gz VDVUMXGTXBCWDG-OAHLLOKOSA-N 0 3 369.531 2.380 10 0 FEAEHN COc1ccccc1-c1nn(CN2CCO[C@H](CN(C)C)C2)c(=S)o1 ZINC000152996226 672191633 /nfs/dbraw/zinc/19/16/33/672191633.db2.gz AMVWMXNFRVYCGJ-CYBMUJFWSA-N 0 3 364.471 2.101 10 0 FEAEHN CN(C)C[C@@H]1CN(Cn2[nH]c(-c3cc(F)cc(F)c3)nc2=S)CCO1 ZINC000172911278 672345743 /nfs/dbraw/zinc/34/57/43/672345743.db2.gz UABRNKSLXDWAGR-CQSZACIVSA-N 0 3 369.441 2.106 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000236945280 672804472 /nfs/dbraw/zinc/80/44/72/672804472.db2.gz QSFSLPKMYBHXBV-CZUORRHYSA-N 0 3 351.516 2.019 10 0 FEAEHN CCN(CC)C(=O)[C@H](C)N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248597736 672858511 /nfs/dbraw/zinc/85/85/11/672858511.db2.gz MYBMCEXDFZISKK-YHUYYLMFSA-N 0 3 353.507 2.478 10 0 FEAEHN C[C@H](O)CN1CCC(CN(C)S(=O)(=O)/C=C\c2ccc(F)cc2)CC1 ZINC000255724360 672896611 /nfs/dbraw/zinc/89/66/11/672896611.db2.gz ARCONYFFQPKEDI-LMRWQKIVSA-N 0 3 370.490 2.151 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000262112084 672909425 /nfs/dbraw/zinc/90/94/25/672909425.db2.gz HMRMGWMTSAAXAL-SLEUVZQESA-N 0 3 362.392 2.277 10 0 FEAEHN O=c1nc(-c2ccc3n[nH]cc3c2)cc(-c2ccc(N3CCNCC3)cc2)[nH]1 ZINC000040424360 540009646 /nfs/dbraw/zinc/00/96/46/540009646.db2.gz DIRGEJUTJGRJNW-UHFFFAOYSA-N 0 3 372.432 2.390 10 0 FEAEHN CN(C)C(=O)[C@H]1CCCN1CCC(=O)Nc1ccc(Br)cc1 ZINC000051591334 540439116 /nfs/dbraw/zinc/43/91/16/540439116.db2.gz NSZNNHXZPYRTEE-CQSZACIVSA-N 0 3 368.275 2.330 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)C1 ZINC000052592313 540475917 /nfs/dbraw/zinc/47/59/17/540475917.db2.gz NZVMRPPDYNJAED-DLBZAZTESA-N 0 3 373.501 2.234 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCCN(C(=O)c3ccsc3)CC2)C1 ZINC000052592333 540476524 /nfs/dbraw/zinc/47/65/24/540476524.db2.gz JQJFFIMDVUWODG-INIZCTEOSA-N 0 3 364.515 2.090 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCCN(c2nccs2)CC1 ZINC000068364080 541582246 /nfs/dbraw/zinc/58/22/46/541582246.db2.gz FMTORVYSXNGOFW-OAHLLOKOSA-N 0 3 353.536 2.341 10 0 FEAEHN CCCNCc1cc(Br)ccc1OCCS(C)(=O)=O ZINC000037743734 211268113 /nfs/dbraw/zinc/26/81/13/211268113.db2.gz SQKFDISZNJRPTH-UHFFFAOYSA-N 0 3 350.278 2.372 10 0 FEAEHN CNC(=O)c1[nH]nc2c1[C@@H](c1ccc(CN3CCCCC3)s1)CC(=O)N2 ZINC000065381352 221206670 /nfs/dbraw/zinc/20/66/70/221206670.db2.gz GYSOWASJDXORRM-GFCCVEGCSA-N 0 3 373.482 2.291 10 0 FEAEHN CNC(=O)c1[n-]nc2c1[C@@H](c1ccc(C[NH+]3CCCCC3)s1)CC(=O)N2 ZINC000065381352 221206673 /nfs/dbraw/zinc/20/66/73/221206673.db2.gz GYSOWASJDXORRM-GFCCVEGCSA-N 0 3 373.482 2.291 10 0 FEAEHN CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000106174096 543212747 /nfs/dbraw/zinc/21/27/47/543212747.db2.gz BTXDMHTVZAPSCG-MAUKXSAKSA-N 0 3 357.458 2.416 10 0 FEAEHN COC(=O)c1cccc(OCCN2CCC[C@H](Cn3nc(C)nc3C)C2)c1 ZINC000106176893 543214081 /nfs/dbraw/zinc/21/40/81/543214081.db2.gz LIYNIYIWXMIUBH-KRWDZBQOSA-N 0 3 372.469 2.473 10 0 FEAEHN COC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000106222981 543220408 /nfs/dbraw/zinc/22/04/08/543220408.db2.gz QMPXFVBBBVEUHF-MSOLQXFVSA-N 0 3 373.453 2.055 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)N(C)Cc1ccccc1C)CC2 ZINC000112551170 543451235 /nfs/dbraw/zinc/45/12/35/543451235.db2.gz YERIHSLPGUXICR-DOTOQJQBSA-N 0 3 355.486 2.100 10 0 FEAEHN Cn1nc(Cl)cc(Nc2ccc(OC(C)(C)CN3CCC3)cn2)c1=O ZINC000114211817 543508175 /nfs/dbraw/zinc/50/81/75/543508175.db2.gz KGYWDAGSDZNSON-UHFFFAOYSA-N 0 3 363.849 2.435 10 0 FEAEHN Cc1ccccc1CC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000114415658 543514684 /nfs/dbraw/zinc/51/46/84/543514684.db2.gz JVIZRHDQCLLMCH-UHFFFAOYSA-N 0 3 352.482 2.343 10 0 FEAEHN C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114695113 543530509 /nfs/dbraw/zinc/53/05/09/543530509.db2.gz FBVDBOJCLOCEDD-NVXWUHKLSA-N 0 3 355.438 2.179 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)C1 ZINC000247470554 549338971 /nfs/dbraw/zinc/33/89/71/549338971.db2.gz VFYSTVIAPYRQCL-BHIYHBOVSA-N 0 3 357.498 2.065 10 0 FEAEHN CC[C@@H]1CN(C(=O)NCC(C)(C)N2CCCCC2)CCN1CCOC ZINC000117470485 543632514 /nfs/dbraw/zinc/63/25/14/543632514.db2.gz CNYJOWDFHXBZJU-QGZVFWFLSA-N 0 3 354.539 2.003 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)CCNC(=O)N1CCc2ccccc2C1 ZINC000118320488 543650410 /nfs/dbraw/zinc/65/04/10/543650410.db2.gz INEPMAVOUAMQQU-IBGZPJMESA-N 0 3 374.529 2.237 10 0 FEAEHN CS[C@H](CO)[C@H](C)NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000119802673 543672029 /nfs/dbraw/zinc/67/20/29/543672029.db2.gz JZLDUTXPLLHIQO-RYQLBKOJSA-N 0 3 365.543 2.453 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C)CS(=O)(=O)c1ccccc1)CC2 ZINC000122891779 543729740 /nfs/dbraw/zinc/72/97/40/543729740.db2.gz ZXBBPWNAHPRLMQ-GJZGRUSLSA-N 0 3 362.499 2.168 10 0 FEAEHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000123318019 543754972 /nfs/dbraw/zinc/75/49/72/543754972.db2.gz TVDNNBUYDVWYHV-UTKZUKDTSA-N 0 3 373.497 2.149 10 0 FEAEHN CCC[C@@H](C(=O)N1CCC(C(=O)NCCc2cccs2)CC1)N(C)C ZINC000123985987 543794742 /nfs/dbraw/zinc/79/47/42/543794742.db2.gz OLLBIFIWGVFJOY-KRWDZBQOSA-N 0 3 365.543 2.376 10 0 FEAEHN CCC[C@](C)(O)C(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000127561004 544000799 /nfs/dbraw/zinc/00/07/99/544000799.db2.gz DPBVJXSQQSDRER-FPOVZHCZSA-N 0 3 362.514 2.442 10 0 FEAEHN CCC[C@H](C(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1)N(C)C ZINC000131001792 544173707 /nfs/dbraw/zinc/17/37/07/544173707.db2.gz IEVGZJLBPHWTAV-BZUAXINKSA-N 0 3 353.532 2.356 10 0 FEAEHN CCN(C(=O)c1ccc2nnc([C@H]3CCN(CCOC)C3)n2c1)C(C)C ZINC000096267503 222107509 /nfs/dbraw/zinc/10/75/09/222107509.db2.gz SDVRNLSXLXWXSA-HNNXBMFYSA-N 0 3 359.474 2.036 10 0 FEAEHN Cc1nc(CN2CCC[C@@]3(C2)CN(C2CCOCC2)CCO3)cs1 ZINC000096226704 222088736 /nfs/dbraw/zinc/08/87/36/222088736.db2.gz ZGGHIEILDRBOAG-GOSISDBHSA-N 0 3 351.516 2.297 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)CCCNC(=O)c1ccc(F)cc1 ZINC000098035857 222221408 /nfs/dbraw/zinc/22/14/08/222221408.db2.gz GJAMAZJHXMSESC-KRWDZBQOSA-N 0 3 351.466 2.428 10 0 FEAEHN CN(C)C[C@H]1CN(CCC(=O)Nc2ccccc2C(F)(F)F)CCO1 ZINC000137206218 544386986 /nfs/dbraw/zinc/38/69/86/544386986.db2.gz DDHQQZMZVCWZOF-ZDUSSCGKSA-N 0 3 359.392 2.296 10 0 FEAEHN COc1cc(NC(=O)C(C)(C)N2CCNCC2)ccc1Br ZINC000149177482 544455502 /nfs/dbraw/zinc/45/55/02/544455502.db2.gz CMKUDVDYDCPFBC-UHFFFAOYSA-N 0 3 356.264 2.080 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(N(C)C)c(Cl)c2)C1 ZINC000150789156 544471695 /nfs/dbraw/zinc/47/16/95/544471695.db2.gz LOCRMHFBQGJRBR-DOMZBBRYSA-N 0 3 366.893 2.189 10 0 FEAEHN CC[C@@H]1CN(Cc2ccn(-c3c(F)cccc3F)n2)CCN1C[C@@H](C)O ZINC000152605815 544673780 /nfs/dbraw/zinc/67/37/80/544673780.db2.gz JFXQPJVTYZPSBA-GDBMZVCRSA-N 0 3 364.440 2.428 10 0 FEAEHN Cc1c(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)cnn1C(C)C ZINC000180248556 327678064 /nfs/dbraw/zinc/67/80/64/327678064.db2.gz DIJIZJFHVUAXBR-UHFFFAOYSA-N 0 3 370.501 2.191 10 0 FEAEHN C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@H]1CN(C)CCO1 ZINC000180491126 327688404 /nfs/dbraw/zinc/68/84/04/327688404.db2.gz AHPKWSNRPORADP-STQMWFEESA-N 0 3 359.392 2.343 10 0 FEAEHN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000181190434 327720000 /nfs/dbraw/zinc/72/00/00/327720000.db2.gz VLFWLGZWVAFORO-QGZVFWFLSA-N 0 3 374.485 2.025 10 0 FEAEHN COc1ccc(C[C@@H](C)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)cc1 ZINC000182354175 327771804 /nfs/dbraw/zinc/77/18/04/327771804.db2.gz NARYLPFXQBRJBN-RDTXWAMCSA-N 0 3 356.470 2.453 10 0 FEAEHN CC[C@H]1CN(Cc2cnn(Cc3ccc(F)cc3)c2)CCN1C[C@@H](C)O ZINC000187210131 328009203 /nfs/dbraw/zinc/00/92/03/328009203.db2.gz HGYSTUNAILCZTG-UZLBHIALSA-N 0 3 360.477 2.348 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)Nc3ccncc3F)CC2)nc1 ZINC000187671569 328038773 /nfs/dbraw/zinc/03/87/73/328038773.db2.gz KEEYZAJSEFOZLA-UHFFFAOYSA-N 0 3 358.421 2.031 10 0 FEAEHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCO1 ZINC000187968789 328057046 /nfs/dbraw/zinc/05/70/46/328057046.db2.gz FAWRJDGVNAAAQW-SECBINFHSA-N 0 3 371.261 2.084 10 0 FEAEHN C[C@H](CNC(=O)NCCN1CCc2ccccc2C1=O)N1CCC(C)CC1 ZINC000188293510 328078519 /nfs/dbraw/zinc/07/85/19/328078519.db2.gz UAGRSLQANHUHSL-QGZVFWFLSA-N 0 3 372.513 2.105 10 0 FEAEHN Cc1ncsc1/C=C/C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000188924442 328118186 /nfs/dbraw/zinc/11/81/86/328118186.db2.gz UJRSLHYJGLGUKF-FNORWQNLSA-N 0 3 371.510 2.270 10 0 FEAEHN CCN(CC(=O)OC(C)(C)C)C1CCN([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC000190350530 328202032 /nfs/dbraw/zinc/20/20/32/328202032.db2.gz RDYPJGYOBVKUOV-INIZCTEOSA-N 0 3 369.550 2.370 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000190354400 328202379 /nfs/dbraw/zinc/20/23/79/328202379.db2.gz WFXMMBPRVQSOBN-HZPDHXFCSA-N 0 3 367.453 2.100 10 0 FEAEHN COc1c(CN2CC[C@H](CN(C)Cc3scnc3C)C2)c(C)nn1C ZINC000190469984 328209856 /nfs/dbraw/zinc/20/98/56/328209856.db2.gz NITLVXCKSQPOIW-OAHLLOKOSA-N 0 3 363.531 2.456 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000190492503 328211108 /nfs/dbraw/zinc/21/11/08/328211108.db2.gz ZMHZGYXLCOJXGU-INIZCTEOSA-N 0 3 367.453 2.166 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc2ccn(C)c21 ZINC000190574277 328217153 /nfs/dbraw/zinc/21/71/53/328217153.db2.gz NEBXDALKGWHLHF-MRXNPFEDSA-N 0 3 356.470 2.353 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000190578662 328217492 /nfs/dbraw/zinc/21/74/92/328217492.db2.gz HCBDJEKIFGWYEJ-GOSISDBHSA-N 0 3 367.449 2.333 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NCCc2ccccn2)C1 ZINC000190676834 328224129 /nfs/dbraw/zinc/22/41/29/328224129.db2.gz SKGXWQZNBADEPL-GOSISDBHSA-N 0 3 353.470 2.183 10 0 FEAEHN Cc1noc(C)c1CCNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190709027 328226517 /nfs/dbraw/zinc/22/65/17/328226517.db2.gz XHVLVHJDARCPLD-GOSISDBHSA-N 0 3 371.485 2.392 10 0 FEAEHN CN(C)c1ccnc(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190713705 328226771 /nfs/dbraw/zinc/22/67/71/328226771.db2.gz JMVPCHHPZTUJCM-KRWDZBQOSA-N 0 3 353.470 2.137 10 0 FEAEHN CCN(C)c1ccc(CNC[C@H](O)CN2CCc3ccccc3C2)cn1 ZINC000190751577 328229969 /nfs/dbraw/zinc/22/99/69/328229969.db2.gz XBJUFRQDLXKKOJ-FQEVSTJZSA-N 0 3 354.498 2.047 10 0 FEAEHN COc1cc(CNC(=O)[C@@H]2CCCO[C@H]2C)ccc1OCCN(C)C ZINC000190896651 328238916 /nfs/dbraw/zinc/23/89/16/328238916.db2.gz KMNJUYKYHIHAGL-GOEBONIOSA-N 0 3 350.459 2.067 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCSC[C@@H]1c1cnn(C)c1 ZINC000191119292 328250555 /nfs/dbraw/zinc/25/05/55/328250555.db2.gz GAJOOTUBPSSGNK-HZPDHXFCSA-N 0 3 353.536 2.196 10 0 FEAEHN COC(=O)c1ccc(NC(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c(N(C)C)c1 ZINC000191180447 328252969 /nfs/dbraw/zinc/25/29/69/328252969.db2.gz VDWJVZLDZNSRHT-BBRMVZONSA-N 0 3 362.474 2.389 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC(Oc3ccc(F)nc3)CC2)C1 ZINC000191493084 328268249 /nfs/dbraw/zinc/26/82/49/328268249.db2.gz BWJFRGSFNAZVOZ-CQSZACIVSA-N 0 3 350.438 2.258 10 0 FEAEHN CCn1cc([C@H]2CN(C(=O)NCCN(C)Cc3ccccc3)CCO2)cn1 ZINC000191529148 328270038 /nfs/dbraw/zinc/27/00/38/328270038.db2.gz RVQZTEMRBXQQAU-LJQANCHMSA-N 0 3 371.485 2.118 10 0 FEAEHN CC(C)N1CCN(CCCN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000191592536 328273004 /nfs/dbraw/zinc/27/30/04/328273004.db2.gz DCARWOVWYPFSHK-FXAWDEMLSA-N 0 3 367.484 2.489 10 0 FEAEHN CN1CCN(CC2CCN(C(=O)N[C@@H]3CCOc4ccccc43)CC2)CC1 ZINC000192143491 328302344 /nfs/dbraw/zinc/30/23/44/328302344.db2.gz DBBZNDZRSQKZMZ-LJQANCHMSA-N 0 3 372.513 2.179 10 0 FEAEHN O=C(NC[C@@H](O)CN1CCCCC1)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000192896684 328345557 /nfs/dbraw/zinc/34/55/57/328345557.db2.gz DCXMRVCKFWYFOD-QGZVFWFLSA-N 0 3 360.458 2.003 10 0 FEAEHN Cc1cc(C)n(-c2cccc(NC(=O)NC[C@@H](O)CN3CCCCC3)c2)n1 ZINC000193476278 328377899 /nfs/dbraw/zinc/37/78/99/328377899.db2.gz GGLQBCNUWNEEPW-LJQANCHMSA-N 0 3 371.485 2.457 10 0 FEAEHN CCOc1ccc(C(=O)NCC(=O)N[C@H](CN(C)C)c2ccccc2)cc1 ZINC000007817169 324359517 /nfs/dbraw/zinc/35/95/17/324359517.db2.gz XVEKAXXJFTWDOZ-LJQANCHMSA-N 0 3 369.465 2.234 10 0 FEAEHN C[C@H](NC[C@@H](O)COc1ccccc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000025695192 324420386 /nfs/dbraw/zinc/42/03/86/324420386.db2.gz CGBXFKPUZGBRFT-DZGCQCFKSA-N 0 3 367.442 2.320 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)[C@@H]1COCCN1)c1ccc(C(F)(F)F)cc1 ZINC000236830465 328495501 /nfs/dbraw/zinc/49/55/01/328495501.db2.gz XMIOIEYPLRELBV-HOTGVXAUSA-N 0 3 373.419 2.193 10 0 FEAEHN CCC[C@@H](N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000236920336 328498336 /nfs/dbraw/zinc/49/83/36/328498336.db2.gz YIMPUKDYEAGYNW-CQSZACIVSA-N 0 3 358.269 2.405 10 0 FEAEHN COc1ccc(N2C[C@@H](C(=O)N[C@H](CC(C)C)CN(C)C)CC2=O)cc1 ZINC000077730314 325009362 /nfs/dbraw/zinc/00/93/62/325009362.db2.gz LCUJQIZEFMBUFD-JKSUJKDBSA-N 0 3 361.486 2.141 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)NC[C@H](C)N1CCOCC1)c1ccsc1 ZINC000077792923 325016472 /nfs/dbraw/zinc/01/64/72/325016472.db2.gz CEIPSJGAJCFPMF-DOTOQJQBSA-N 0 3 368.547 2.151 10 0 FEAEHN CCn1ccnc1CS(=O)(=O)C(C)C(=O)N(C)Cc1cccc(F)c1 ZINC000083066737 325213029 /nfs/dbraw/zinc/21/30/29/325213029.db2.gz PPFQUIZHAZUHDM-CYBMUJFWSA-N 0 3 367.446 2.004 10 0 FEAEHN Cc1ccc(C)c(OC[C@H](O)CN2CCC(N(C)c3cccnn3)CC2)c1 ZINC000106083106 325577790 /nfs/dbraw/zinc/57/77/90/325577790.db2.gz HZEIZDPSERBWPY-LJQANCHMSA-N 0 3 370.497 2.434 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000106770392 325609362 /nfs/dbraw/zinc/60/93/62/325609362.db2.gz ZNQRUHBJKQSLNE-OAHLLOKOSA-N 0 3 363.259 2.411 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@H](C)C(=O)N(C)Cc1ccccc1)CC2 ZINC000112551967 325790581 /nfs/dbraw/zinc/79/05/81/325790581.db2.gz GFYJBQKFPLLRDM-NVXWUHKLSA-N 0 3 355.486 2.353 10 0 FEAEHN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)NCCn2cc(C)cn2)c1 ZINC000112552226 325791261 /nfs/dbraw/zinc/79/12/61/325791261.db2.gz COLBSWSVBUEHQL-GJZGRUSLSA-N 0 3 360.458 2.064 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)nc1 ZINC000114413937 325890376 /nfs/dbraw/zinc/89/03/76/325890376.db2.gz RNGFWADSGJVGCY-UHFFFAOYSA-N 0 3 372.444 2.010 10 0 FEAEHN COc1ccsc1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000114414889 325891076 /nfs/dbraw/zinc/89/10/76/325891076.db2.gz IYHJUTBSBLEHTO-UHFFFAOYSA-N 0 3 360.483 2.176 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCCN(Cc3csc(C)n3)CC2)C1 ZINC000116535532 326021994 /nfs/dbraw/zinc/02/19/94/326021994.db2.gz ODHARMXTRSMULQ-INIZCTEOSA-N 0 3 365.547 2.153 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)CCCc2ncc(-c3ccccc3)o2)CCO1 ZINC000116785720 326035220 /nfs/dbraw/zinc/03/52/20/326035220.db2.gz QSOYRWFYAXDEJG-QGZVFWFLSA-N 0 3 357.454 2.453 10 0 FEAEHN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCO[C@@H](CN(C)C)C1 ZINC000246258552 328603436 /nfs/dbraw/zinc/60/34/36/328603436.db2.gz GCALCYRDBYKROK-STQMWFEESA-N 0 3 359.392 2.295 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2csc(Cc3ccc(F)cc3)n2)CCO1 ZINC000116793155 326035581 /nfs/dbraw/zinc/03/55/81/326035581.db2.gz QBZJTDXULQJYNX-HNNXBMFYSA-N 0 3 363.458 2.276 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CCO1 ZINC000116794283 326035807 /nfs/dbraw/zinc/03/58/07/326035807.db2.gz MUULNNDFXWWNTD-MRXNPFEDSA-N 0 3 373.478 2.403 10 0 FEAEHN COc1cc(C(=O)N2CCO[C@@H](CN(C)C)C2)ccc1OCC(C)C ZINC000116794212 326035904 /nfs/dbraw/zinc/03/59/04/326035904.db2.gz VKJXQQMZDSHYLG-INIZCTEOSA-N 0 3 350.459 2.133 10 0 FEAEHN COCCOC1CCN(C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000116884510 326040069 /nfs/dbraw/zinc/04/00/69/326040069.db2.gz RMCUBGPFGAANHG-QGZVFWFLSA-N 0 3 357.878 2.345 10 0 FEAEHN Cc1cc(NC(=O)N2CCO[C@@H](CN(C)C)C2)n(Cc2ccccc2)n1 ZINC000116928731 326042462 /nfs/dbraw/zinc/04/24/62/326042462.db2.gz PFDOVBRAHQPLIX-KRWDZBQOSA-N 0 3 357.458 2.034 10 0 FEAEHN Cc1cnn(CCNC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)c1 ZINC000118081283 326079285 /nfs/dbraw/zinc/07/92/85/326079285.db2.gz KZMUUROOWQGAQP-UHFFFAOYSA-N 0 3 365.428 2.243 10 0 FEAEHN CC[C@@H](C)NC(=O)c1ccc(NC(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000118810675 326104179 /nfs/dbraw/zinc/10/41/79/326104179.db2.gz SLCLGKBWCRRLKN-RHSMWYFYSA-N 0 3 362.474 2.009 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)C[C@H](NC(C)=O)c2ccc(F)cc2F)C1 ZINC000119168674 326133634 /nfs/dbraw/zinc/13/36/34/326133634.db2.gz YQMPJNXPZCKZOO-PBHICJAKSA-N 0 3 353.413 2.133 10 0 FEAEHN CCCC(O)(CCC)CC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000119936462 326213729 /nfs/dbraw/zinc/21/37/29/326213729.db2.gz CPLGOJMOMPMSBE-IBGZPJMESA-N 0 3 362.514 2.243 10 0 FEAEHN C[C@H](NC(=O)NC[C@@](C)(O)CN(C)C)c1ccccc1Br ZINC000120308234 326248208 /nfs/dbraw/zinc/24/82/08/326248208.db2.gz KIHBPXMNSMWYTG-XHDPSFHLSA-N 0 3 358.280 2.122 10 0 FEAEHN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000120759279 326285891 /nfs/dbraw/zinc/28/58/91/326285891.db2.gz DZMHRJCNENMCTM-MRXNPFEDSA-N 0 3 360.506 2.335 10 0 FEAEHN COc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000120828805 326291494 /nfs/dbraw/zinc/29/14/94/326291494.db2.gz FIJVRTSEQVQHHG-CJNGLKHVSA-N 0 3 362.474 2.247 10 0 FEAEHN CC(C)N1CCO[C@@H](CN2CCN(CC3=Cc4ccccc4OC3)CC2)C1 ZINC000121049708 326309382 /nfs/dbraw/zinc/30/93/82/326309382.db2.gz AXQBHDXFVLXMGW-NRFANRHFSA-N 0 3 371.525 2.189 10 0 FEAEHN CCC[C@@H](C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1)N(C)C ZINC000129961092 326549196 /nfs/dbraw/zinc/54/91/96/326549196.db2.gz MDBGCBVQELNROM-BEFAXECRSA-N 0 3 364.509 2.485 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000130048400 326550619 /nfs/dbraw/zinc/55/06/19/326550619.db2.gz CLQSVLGBLDCTIR-AWEZNQCLSA-N 0 3 363.259 2.411 10 0 FEAEHN CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)c1 ZINC000130612099 326560064 /nfs/dbraw/zinc/56/00/64/326560064.db2.gz OPAXOQPZBQGINO-SJLPKXTDSA-N 0 3 361.486 2.134 10 0 FEAEHN O=C(Cc1ccc(O)cc1)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000134118253 326619946 /nfs/dbraw/zinc/61/99/46/326619946.db2.gz JNBJZXVYNCCOKV-NRFANRHFSA-N 0 3 368.477 2.497 10 0 FEAEHN CCC[C@@H](C(=O)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1)N(C)C ZINC000135446578 326641490 /nfs/dbraw/zinc/64/14/90/326641490.db2.gz OHZZUZAAELEAOR-KDOFPFPSSA-N 0 3 361.486 2.252 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000152298376 326703805 /nfs/dbraw/zinc/70/38/05/326703805.db2.gz XXDCQDJXXYYJMA-SJORKVTESA-N 0 3 362.522 2.063 10 0 FEAEHN CN(C)C[C@@H](NC(=O)N[C@@H]1CCN(c2ncccc2F)C1)c1ccccc1 ZINC000153839875 326744460 /nfs/dbraw/zinc/74/44/60/326744460.db2.gz OMDATBKVXSAJTH-SJLPKXTDSA-N 0 3 371.460 2.402 10 0 FEAEHN Cc1cc(C)cc(OC[C@@H](O)CN2CCC(Nc3cccnn3)CC2)c1 ZINC000155051648 326776248 /nfs/dbraw/zinc/77/62/48/326776248.db2.gz JVYCHWMYBGXIAQ-SFHVURJKSA-N 0 3 356.470 2.410 10 0 FEAEHN CCN(C(=O)CN1CCO[C@@H](CN(C)C)C1)c1cccc2ccccc21 ZINC000155339266 326785155 /nfs/dbraw/zinc/78/51/55/326785155.db2.gz LIAKXNIFOMLKAN-SFHVURJKSA-N 0 3 355.482 2.455 10 0 FEAEHN CC(C)Cc1ccc([C@H](C)NC(=O)CN2CCO[C@H](CN(C)C)C2)cc1 ZINC000155335641 326785224 /nfs/dbraw/zinc/78/52/24/326785224.db2.gz SYBAKMRQAVRBMV-FXAWDEMLSA-N 0 3 361.530 2.325 10 0 FEAEHN Cc1cccc(N2CCN(CCCCNC(=O)C[C@H](O)C(C)C)CC2)c1 ZINC000155743692 326802829 /nfs/dbraw/zinc/80/28/29/326802829.db2.gz NVEAWHFPVWVGSN-FQEVSTJZSA-N 0 3 361.530 2.420 10 0 FEAEHN COCCC1(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000163921745 327061503 /nfs/dbraw/zinc/06/15/03/327061503.db2.gz NKHQTVICRCIILH-LJQANCHMSA-N 0 3 360.498 2.365 10 0 FEAEHN NC(=O)c1ccc(NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cn1 ZINC000164085842 327064470 /nfs/dbraw/zinc/06/44/70/327064470.db2.gz KEGUZHARMSJMQJ-KRWDZBQOSA-N 0 3 367.453 2.357 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000170844112 327102272 /nfs/dbraw/zinc/10/22/72/327102272.db2.gz OESQWCCXUFOFLR-JTQLQIEISA-N 0 3 363.767 2.460 10 0 FEAEHN Cc1c(NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)cccc1OCC(F)(F)F ZINC000170843347 327102278 /nfs/dbraw/zinc/10/22/78/327102278.db2.gz DOSITRLJPGETCA-GFCCVEGCSA-N 0 3 373.375 2.037 10 0 FEAEHN COc1cc(C(=O)N2CC[C@@H](N(C)C)C2)cc(OC)c1Br ZINC000170858535 327102992 /nfs/dbraw/zinc/10/29/92/327102992.db2.gz WFJNIHDPIOPDOL-LLVKDONJSA-N 0 3 357.248 2.242 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000170859783 327103137 /nfs/dbraw/zinc/10/31/37/327103137.db2.gz WUVWTVXYWAUGAF-LJQANCHMSA-N 0 3 351.450 2.246 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)C1 ZINC000170862770 327103363 /nfs/dbraw/zinc/10/33/63/327103363.db2.gz ALTJHRQZKIKIRH-DLBZAZTESA-N 0 3 371.506 2.252 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000170867963 327104095 /nfs/dbraw/zinc/10/40/95/327104095.db2.gz SWIFEEQDNFBIAP-SSAUXNHXSA-N 0 3 373.541 2.356 10 0 FEAEHN C[C@@H](NC(=O)N(C)C1CCN(CCc2ccccn2)CC1)[C@@H]1CCCO1 ZINC000171042517 327114050 /nfs/dbraw/zinc/11/40/50/327114050.db2.gz ZQGOYNSRQXAKNM-APWZRJJASA-N 0 3 360.502 2.297 10 0 FEAEHN COc1ccc(CN(C)C[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1C ZINC000171391343 327136459 /nfs/dbraw/zinc/13/64/59/327136459.db2.gz OMWCFMRAAGVPBS-INIZCTEOSA-N 0 3 368.433 2.093 10 0 FEAEHN O[C@@H](COc1cccc(C(F)(F)F)c1)CN1CCC[C@H](n2cncn2)C1 ZINC000171524997 327143906 /nfs/dbraw/zinc/14/39/06/327143906.db2.gz UFKQDUFDRVLNOD-LSDHHAIUSA-N 0 3 370.375 2.374 10 0 FEAEHN COc1ccccc1CNC(=O)CN1CC[C@H](CNc2cccc(C)n2)C1 ZINC000171653455 327152283 /nfs/dbraw/zinc/15/22/83/327152283.db2.gz HMYLTQOQSRMQJL-QGZVFWFLSA-N 0 3 368.481 2.449 10 0 FEAEHN CC(C)n1ccnc1CS(=O)(=O)C(C)C(=O)NCc1cccs1 ZINC000171674928 327154375 /nfs/dbraw/zinc/15/43/75/327154375.db2.gz JZQUTLFPCBYYNO-GFCCVEGCSA-N 0 3 355.485 2.145 10 0 FEAEHN COc1cccc(N2CC[C@@H](CNC(=O)N3CCN4CCC[C@@H]4C3)C2)c1 ZINC000171906701 327169265 /nfs/dbraw/zinc/16/92/65/327169265.db2.gz AUDJOGBVDAWXBS-FUHWJXTLSA-N 0 3 358.486 2.011 10 0 FEAEHN O=C(c1cccc(CN2CCCC2)c1)N1CCN(Cc2ccon2)CC1 ZINC000172800019 327219764 /nfs/dbraw/zinc/21/97/64/327219764.db2.gz XRKSCWLPCCBOJN-UHFFFAOYSA-N 0 3 354.454 2.228 10 0 FEAEHN CN(C)c1ccc(N2CCC(NC(=O)N3CCN4CCC[C@@H]4C3)CC2)cc1 ZINC000173509270 327262497 /nfs/dbraw/zinc/26/24/97/327262497.db2.gz KDKPHBKKNHTEEK-HXUWFJFHSA-N 0 3 371.529 2.211 10 0 FEAEHN COCCCN(C)CCNC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173578753 327268519 /nfs/dbraw/zinc/26/85/19/327268519.db2.gz AYSCEACKGMOANB-MRXNPFEDSA-N 0 3 359.474 2.201 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1nn(-c2ccccc2)c(C)cc1=O ZINC000175007384 327367600 /nfs/dbraw/zinc/36/76/00/327367600.db2.gz HFGRJCHBAPWEGB-SJLPKXTDSA-N 0 3 366.465 2.240 10 0 FEAEHN Cc1ccc([C@@H](CN[C@@H]2CCCN(C(C)C)C2=O)N2CCOCC2)s1 ZINC000175017043 327368371 /nfs/dbraw/zinc/36/83/71/327368371.db2.gz OVDCPAPJNUDTKL-IAGOWNOFSA-N 0 3 365.543 2.419 10 0 FEAEHN Cc1ccc([C@@H](CN[C@@H]2CCN(C(C)C)C2=O)N2CCOCC2)s1 ZINC000175197965 327379585 /nfs/dbraw/zinc/37/95/85/327379585.db2.gz DALQMMNAKGOANQ-HZPDHXFCSA-N 0 3 351.516 2.029 10 0 FEAEHN COCCN1CCC(NC(=O)N2CCCC[C@@H]2c2nccs2)CC1 ZINC000176273363 327444957 /nfs/dbraw/zinc/44/49/57/327444957.db2.gz LRQDIWPIDFPJGB-OAHLLOKOSA-N 0 3 352.504 2.491 10 0 FEAEHN O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@H]1CCCn2ncnc21 ZINC000177356236 327516251 /nfs/dbraw/zinc/51/62/51/327516251.db2.gz NNDKYKAWKFBTJA-DLBZAZTESA-N 0 3 354.458 2.249 10 0 FEAEHN CC[C@@H]1CCCCN1C(=O)[C@@H](C)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000177460897 327524106 /nfs/dbraw/zinc/52/41/06/327524106.db2.gz QNMRGGIHRDHQPR-ZACQAIPSSA-N 0 3 374.533 2.256 10 0 FEAEHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000178510206 327589575 /nfs/dbraw/zinc/58/95/75/327589575.db2.gz RQWDHUMHFNFNGY-NSHDSACASA-N 0 3 362.879 2.135 10 0 FEAEHN CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)c1cncc([O-])c1 ZINC000178843586 327610723 /nfs/dbraw/zinc/61/07/23/327610723.db2.gz GFLSPPNBMSWABP-HXUWFJFHSA-N 0 3 369.465 2.305 10 0 FEAEHN CCC[C@H](C(=O)N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1)N(C)C ZINC000248593539 328728297 /nfs/dbraw/zinc/72/82/97/328728297.db2.gz LRDFKAQJWVILRZ-ZJIFWQFVSA-N 0 3 353.507 2.478 10 0 FEAEHN N[C@@H]1CN(C(=O)Cc2csc(-c3cnccn3)n2)C[C@H]1c1ccccc1 ZINC000261849104 328824327 /nfs/dbraw/zinc/82/43/27/328824327.db2.gz VGYFFHRWHLPEEJ-JKSUJKDBSA-N 0 3 365.462 2.096 10 0 FEAEHN C[C@H](NC(=O)C1(N)CCOCC1)c1cccc(OCc2ccccn2)c1 ZINC000261896070 328827673 /nfs/dbraw/zinc/82/76/73/328827673.db2.gz RCHKRJFZOVGVTQ-HNNXBMFYSA-N 0 3 355.438 2.346 10 0 FEAEHN Cc1ccc(C(=O)N[C@@H](c2nc([C@H]3CNCCN3C)no2)C(C)C)cc1 ZINC000263191532 328923790 /nfs/dbraw/zinc/92/37/90/328923790.db2.gz HYEFMAPSPYZSJL-HZPDHXFCSA-N 0 3 357.458 2.081 10 0 FEAEHN Cc1cc(C(=O)N2CCN(Cc3ccccc3C)CC2)n(CCN(C)C)n1 ZINC000082097503 526253677 /nfs/dbraw/zinc/25/36/77/526253677.db2.gz JMZYXPBDSHGFGL-UHFFFAOYSA-N 0 3 369.513 2.020 10 0 FEAEHN CCn1cnnc1C1CCN(C[C@@H](O)COCc2ccc(OC)cc2)CC1 ZINC000155438601 545527319 /nfs/dbraw/zinc/52/73/19/545527319.db2.gz BCSLSUZPXBVTSC-GOSISDBHSA-N 0 3 374.485 2.064 10 0 FEAEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000157269205 545721801 /nfs/dbraw/zinc/72/18/01/545721801.db2.gz XOMFNLBOKJUKBJ-LJQANCHMSA-N 0 3 369.513 2.482 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H](C)CN1CCC[C@@H](C)C1)CC2 ZINC000157546657 545753497 /nfs/dbraw/zinc/75/34/97/545753497.db2.gz FMTPDTKDMZJXDT-BZUAXINKSA-N 0 3 362.522 2.136 10 0 FEAEHN CCN(C(=O)NC[C@@H](C)N1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000159128230 545924150 /nfs/dbraw/zinc/92/41/50/545924150.db2.gz CMHWQBLEHFPDKW-QUCCMNQESA-N 0 3 374.529 2.013 10 0 FEAEHN O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@H]1CCCn2ncnc21 ZINC000176351920 546435177 /nfs/dbraw/zinc/43/51/77/546435177.db2.gz XAQSZSAXGFDWTE-UONOGXRCSA-N 0 3 360.487 2.311 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(NS(=O)(=O)CC)cc1 ZINC000176354990 546435516 /nfs/dbraw/zinc/43/55/16/546435516.db2.gz KAOCUCWFDNCCRY-MRXNPFEDSA-N 0 3 368.503 2.396 10 0 FEAEHN O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)N1CCN2CCC[C@@H]2C1 ZINC000176686760 546476822 /nfs/dbraw/zinc/47/68/22/546476822.db2.gz QXSREKOOJXWSMR-QGZVFWFLSA-N 0 3 370.428 2.348 10 0 FEAEHN CC(=O)Nc1cccc2c1CCN(C(=O)N[C@H]1CN(C(C)C)C[C@H]1C)C2 ZINC000176842932 546495549 /nfs/dbraw/zinc/49/55/49/546495549.db2.gz FISAJXJMAAOWOK-KUHUBIRLSA-N 0 3 358.486 2.441 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(OC)c2ncccc12 ZINC000176896734 546502574 /nfs/dbraw/zinc/50/25/74/546502574.db2.gz NHZZSSPDKHSYRC-CQSZACIVSA-N 0 3 370.453 2.125 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(C)c(OC(F)F)c1 ZINC000176902613 546504784 /nfs/dbraw/zinc/50/47/84/546504784.db2.gz VMMGVVAPMXCSKJ-CQSZACIVSA-N 0 3 369.412 2.478 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)CCNC(=O)N1CCc2ccccc2C1 ZINC000177044256 546530610 /nfs/dbraw/zinc/53/06/10/546530610.db2.gz DHJUYJYOZOLQEZ-IBGZPJMESA-N 0 3 372.513 2.087 10 0 FEAEHN CCOCCN1CCN(CCC(=O)Nc2cc(N)ccc2F)C[C@H]1CC ZINC000177055112 546533076 /nfs/dbraw/zinc/53/30/76/546533076.db2.gz YGJIALVXQMGZKJ-MRXNPFEDSA-N 0 3 366.481 2.169 10 0 FEAEHN CN(c1cccnn1)C1CCN(CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000177052332 546533418 /nfs/dbraw/zinc/53/34/18/546533418.db2.gz RVYFKKASVJOTPP-UHFFFAOYSA-N 0 3 372.448 2.127 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000177305264 546590615 /nfs/dbraw/zinc/59/06/15/546590615.db2.gz FBBNYBARILWRJY-HOCLYGCPSA-N 0 3 367.515 2.277 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000177307102 546591229 /nfs/dbraw/zinc/59/12/29/546591229.db2.gz NDBJVRSVNHXVKC-GOSISDBHSA-N 0 3 358.486 2.439 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)CSCC(=O)Nc1ccc(F)cc1 ZINC000177422394 546614733 /nfs/dbraw/zinc/61/47/33/546614733.db2.gz VVKQPHAZJGLBSR-INIZCTEOSA-N 0 3 367.490 2.440 10 0 FEAEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)c1ccc(=O)[nH]c1 ZINC000177465436 546625296 /nfs/dbraw/zinc/62/52/96/546625296.db2.gz YSYJKODIQTVHRU-IBGZPJMESA-N 0 3 369.465 2.305 10 0 FEAEHN O=C(Nc1ccc(Oc2ccncc2)cc1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177685158 546668375 /nfs/dbraw/zinc/66/83/75/546668375.db2.gz YWQMJENJTUZMSL-MRXNPFEDSA-N 0 3 366.421 2.119 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)N[C@@H](C(=O)NC)C(C)C)c1ccsc1 ZINC000178426260 546792279 /nfs/dbraw/zinc/79/22/79/546792279.db2.gz RAMOHYXDBUHUGK-HUUCEWRRSA-N 0 3 354.520 2.201 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000178625922 546822459 /nfs/dbraw/zinc/82/24/59/546822459.db2.gz RYRLDPBRLOHQAU-GFCCVEGCSA-N 0 3 367.519 2.011 10 0 FEAEHN COc1ccc(NC(=O)c2nnc(CN3CCN4CCC[C@@H]4C3)s2)cc1 ZINC000178621801 546822525 /nfs/dbraw/zinc/82/25/25/546822525.db2.gz LFHHMLRLLWNYRL-CQSZACIVSA-N 0 3 373.482 2.079 10 0 FEAEHN O=C(CN1CCN2CCC[C@@H]2C1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000178634321 546824022 /nfs/dbraw/zinc/82/40/22/546824022.db2.gz CFQXFHUVGPQZFF-CYBMUJFWSA-N 0 3 365.861 2.220 10 0 FEAEHN COc1ccc(NC(=O)CN2CCC[C@H]2Cn2ccnc2C)cc1OC ZINC000178747910 546843778 /nfs/dbraw/zinc/84/37/78/546843778.db2.gz MCFHUSPTDPUMDJ-INIZCTEOSA-N 0 3 358.442 2.312 10 0 FEAEHN COC(=O)COc1c(C)cc(CN2CCC[C@@H](n3cncn3)C2)cc1C ZINC000179471215 546960579 /nfs/dbraw/zinc/96/05/79/546960579.db2.gz DEWKIYDARLQNSF-QGZVFWFLSA-N 0 3 358.442 2.284 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)C1 ZINC000180461586 547111796 /nfs/dbraw/zinc/11/17/96/547111796.db2.gz OOXORZSINORDKN-LBPRGKRZSA-N 0 3 369.412 2.243 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(Cl)nc1 ZINC000180906892 547206451 /nfs/dbraw/zinc/20/64/51/547206451.db2.gz HWVYFTVMXCFTDA-ZDUSSCGKSA-N 0 3 360.845 2.310 10 0 FEAEHN Cc1cnn(-c2ccc(C)cc2NC(=O)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000181247185 547280100 /nfs/dbraw/zinc/28/01/00/547280100.db2.gz YKUHJVWKSLZWCY-INIZCTEOSA-N 0 3 357.458 2.283 10 0 FEAEHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000181290628 547288044 /nfs/dbraw/zinc/28/80/44/547288044.db2.gz JDQYUFHBTUPKLW-AEFFLSMTSA-N 0 3 355.486 2.440 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCN(C2CCOCC2)CC1 ZINC000181321430 547292463 /nfs/dbraw/zinc/29/24/63/547292463.db2.gz HRXNBXRFNNMCKK-SFHVURJKSA-N 0 3 374.529 2.013 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000181334240 547296345 /nfs/dbraw/zinc/29/63/45/547296345.db2.gz UAKDBJCRRLXIEL-INIZCTEOSA-N 0 3 372.513 2.207 10 0 FEAEHN CC[C@H]1CN(CC2CCN(C(=O)C(C)(C)C)CC2)CCN1C[C@@H](C)O ZINC000181687858 547360028 /nfs/dbraw/zinc/36/00/28/547360028.db2.gz QVMFDSGOWPAFGA-AEFFLSMTSA-N 0 3 353.551 2.048 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)NCCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000182182146 547448833 /nfs/dbraw/zinc/44/88/33/547448833.db2.gz BCKNAXUPALOEJI-OAHLLOKOSA-N 0 3 361.421 2.154 10 0 FEAEHN O=C(NCCCc1nc(-c2ccc(F)cc2)no1)N1CCN2CCC[C@@H]2C1 ZINC000182181101 547449034 /nfs/dbraw/zinc/44/90/34/547449034.db2.gz QBXKBFHYKIQZFV-MRXNPFEDSA-N 0 3 373.432 2.298 10 0 FEAEHN CC(C)N1C[C@H](NS(=O)(=O)c2ccc(OCC(F)F)cc2)[C@@H](C)C1 ZINC000182711455 547539133 /nfs/dbraw/zinc/53/91/33/547539133.db2.gz XFEWLSCJHYSRER-WFASDCNBSA-N 0 3 362.442 2.338 10 0 FEAEHN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN[C@@H](C)[C@@H]1CCCO1 ZINC000183101262 547601875 /nfs/dbraw/zinc/60/18/75/547601875.db2.gz HJSJHFIAVKYLEL-JXFKEZNVSA-N 0 3 370.497 2.322 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@H](CN1CCOCC1)c1ccccc1C)CC2 ZINC000183753430 547713722 /nfs/dbraw/zinc/71/37/22/547713722.db2.gz SNCRJSNRJOLXFP-IEBWSBKVSA-N 0 3 369.513 2.127 10 0 FEAEHN CCCCN1CCOC[C@@H]1C(=O)NCCCN1CCc2ccccc2C1 ZINC000184246156 547794063 /nfs/dbraw/zinc/79/40/63/547794063.db2.gz JQHSMZZNBLGIHH-HXUWFJFHSA-N 0 3 359.514 2.052 10 0 FEAEHN Cc1noc(-c2ccccc2)c1NC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000185039293 547921947 /nfs/dbraw/zinc/92/19/47/547921947.db2.gz WWPWEKPOEMZKNZ-XJKSGUPXSA-N 0 3 370.453 2.433 10 0 FEAEHN CCO[C@H]1C[C@@H](NCc2cnc(N3CCOCC3)s2)C12CCOCC2 ZINC000185662178 548017216 /nfs/dbraw/zinc/01/72/16/548017216.db2.gz VWNQLAHIZZIMMX-CVEARBPZSA-N 0 3 367.515 2.044 10 0 FEAEHN CCO[C@H]1C[C@@H](NC(=O)N(CCN(C)C)C2CCCC2)C12CCOCC2 ZINC000185683551 548019055 /nfs/dbraw/zinc/01/90/55/548019055.db2.gz KTVWGZILUKKVTB-MSOLQXFVSA-N 0 3 367.534 2.476 10 0 FEAEHN CN(Cc1ccc2c(c1)CCC(=O)N2C)[C@H]1CCCN(c2cccnn2)C1 ZINC000186939603 548225208 /nfs/dbraw/zinc/22/52/08/548225208.db2.gz UNRHNEIDGVLAKM-SFHVURJKSA-N 0 3 365.481 2.486 10 0 FEAEHN Cc1cc(C)n([C@H](C)C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)n1 ZINC000190603709 548330431 /nfs/dbraw/zinc/33/04/31/548330431.db2.gz PFFDQMRCUYCOQZ-MJGOQNOKSA-N 0 3 355.486 2.436 10 0 FEAEHN COCc1noc([C@H](C)N2CC[C@H](CN(C)Cc3scnc3C)C2)n1 ZINC000195259820 548606183 /nfs/dbraw/zinc/60/61/83/548606183.db2.gz FVMBQXCCBIPJBJ-UONOGXRCSA-N 0 3 365.503 2.496 10 0 FEAEHN CNC(=O)c1cccc(CN2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000195289821 548613677 /nfs/dbraw/zinc/61/36/77/548613677.db2.gz QYXSFAQPLQJTJH-IBGZPJMESA-N 0 3 352.482 2.395 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000245428967 548916615 /nfs/dbraw/zinc/91/66/15/548916615.db2.gz JSYNBAXOZVOQQO-HZPDHXFCSA-N 0 3 353.532 2.021 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000245438951 548919900 /nfs/dbraw/zinc/91/99/00/548919900.db2.gz YWOOGNCSWMBOFN-ICSRJNTNSA-N 0 3 359.514 2.127 10 0 FEAEHN CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000245624521 548960584 /nfs/dbraw/zinc/96/05/84/548960584.db2.gz GDBFAOHSVWRDRS-LMMKCTJWSA-N 0 3 361.461 2.336 10 0 FEAEHN C[C@H](O)CN1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)C[C@H]1C ZINC000245756902 548989848 /nfs/dbraw/zinc/98/98/48/548989848.db2.gz OVGFTFWCBZMTDY-OLZOCXBDSA-N 0 3 350.413 2.242 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H]1c1nncn1C ZINC000245950896 549027270 /nfs/dbraw/zinc/02/72/70/549027270.db2.gz WMVGPLUFKAWCJA-RDJZCZTQSA-N 0 3 356.474 2.182 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000246032389 549038275 /nfs/dbraw/zinc/03/82/75/549038275.db2.gz AKGVKDLDXQGJLB-IMJJTQAJSA-N 0 3 350.484 2.257 10 0 FEAEHN CCn1cnnc1[C@H]1CCCN(C[C@@H](O)COCc2ccccc2OC)C1 ZINC000246197400 549074654 /nfs/dbraw/zinc/07/46/54/549074654.db2.gz LQERFNCLZVJHJG-FUHWJXTLSA-N 0 3 374.485 2.064 10 0 FEAEHN CNC(=O)[C@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000246237109 549085730 /nfs/dbraw/zinc/08/57/30/549085730.db2.gz SLFBRVQUYXFJJW-FUHWJXTLSA-N 0 3 360.502 2.063 10 0 FEAEHN COc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000246339915 549110139 /nfs/dbraw/zinc/11/01/39/549110139.db2.gz GWWRBGWTMCHBDT-XHDPSFHLSA-N 0 3 353.850 2.132 10 0 FEAEHN C[C@@H]1CN(CC(=O)N(Cc2ccccc2)C(C)(C)C)C[C@H]1N1CCOCC1 ZINC000246397307 549124602 /nfs/dbraw/zinc/12/46/02/549124602.db2.gz JFXILVPERXMQMH-UYAOXDASSA-N 0 3 373.541 2.466 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)N[C@H](C)c1ccccc1C)CC2 ZINC000246540304 549156535 /nfs/dbraw/zinc/15/65/35/549156535.db2.gz HPOJTPCKVONWFX-OWCLPIDISA-N 0 3 355.486 2.319 10 0 FEAEHN CC(C)Cc1ccc([C@H](C)NC(=O)CN2CCO[C@@H](CN(C)C)C2)cc1 ZINC000246591203 549170136 /nfs/dbraw/zinc/17/01/36/549170136.db2.gz SYBAKMRQAVRBMV-PXNSSMCTSA-N 0 3 361.530 2.325 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1[C@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000247115329 549285393 /nfs/dbraw/zinc/28/53/93/549285393.db2.gz RKAFRKQFAJUTNZ-PBHICJAKSA-N 0 3 355.442 2.393 10 0 FEAEHN COCCN1CCN(CCC(=O)N[C@H]2CCCc3ccccc32)C[C@H]1C ZINC000247578426 549361225 /nfs/dbraw/zinc/36/12/25/549361225.db2.gz IBQUDOPEOSDJOE-XLIONFOSSA-N 0 3 359.514 2.223 10 0 FEAEHN CCOCCN1CCN(C[C@@H](O)COc2ccc(C)cc2)C[C@H]1CC ZINC000247813117 549384251 /nfs/dbraw/zinc/38/42/51/549384251.db2.gz VLJVFTUKGRUTJV-RTBURBONSA-N 0 3 350.503 2.167 10 0 FEAEHN CC[C@@H]1CN(CCC(=O)N[C@H]2CCCc3ccccc32)CCN1C[C@@H](C)O ZINC000247871533 549387566 /nfs/dbraw/zinc/38/75/66/549387566.db2.gz XOQUGQCECCGKIP-QFUCXCTJSA-N 0 3 373.541 2.347 10 0 FEAEHN CCOCCN1CCN(C[C@@H](O)COc2c(C)cccc2C)C[C@@H]1CC ZINC000247881540 549389858 /nfs/dbraw/zinc/38/98/58/549389858.db2.gz ZIRICMFGFNXNFR-VQTJNVASSA-N 0 3 364.530 2.476 10 0 FEAEHN CC[C@@H]1CN(C[C@@H](O)COc2cc(C)ccc2C)CCN1CCOC ZINC000247927430 549392151 /nfs/dbraw/zinc/39/21/51/549392151.db2.gz ZYVHQQWWWVCAQW-RTBURBONSA-N 0 3 350.503 2.086 10 0 FEAEHN C[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CN1C1CC1 ZINC000248038245 549401560 /nfs/dbraw/zinc/40/15/60/549401560.db2.gz LNSQJMDIYRJULR-BEQMWEJSSA-N 0 3 359.445 2.087 10 0 FEAEHN CC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1Cl ZINC000248384624 549424747 /nfs/dbraw/zinc/42/47/47/549424747.db2.gz FOOBMOWJPAWIKL-BDJLRTHQSA-N 0 3 365.861 2.326 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(Cl)c(OC)c1 ZINC000248681241 549482717 /nfs/dbraw/zinc/48/27/17/549482717.db2.gz OQWUVYFUECNVGR-KBPBESRZSA-N 0 3 365.861 2.372 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2nc3c(s2)CCCCC3)C1 ZINC000248677964 549483102 /nfs/dbraw/zinc/48/31/02/549483102.db2.gz LGIGYHATIAGXLT-TZMCWYRMSA-N 0 3 364.515 2.195 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000248730274 549491951 /nfs/dbraw/zinc/49/19/51/549491951.db2.gz KEOYMBGOTGNUPF-OLZOCXBDSA-N 0 3 370.375 2.124 10 0 FEAEHN C[C@@H]1CN(c2ccnc(C(=O)N3C[C@@H]4CCCN4C[C@H]3C)c2)C[C@@H](C)O1 ZINC000248972397 549533683 /nfs/dbraw/zinc/53/36/83/549533683.db2.gz PSZXWIZKKJTJEZ-KONPQCLYSA-N 0 3 358.486 2.004 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C2CCCCC2)nn1C ZINC000249147085 549560240 /nfs/dbraw/zinc/56/02/40/549560240.db2.gz GMJNJZXMPVXVHJ-HOCLYGCPSA-N 0 3 373.501 2.101 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000249889920 549633757 /nfs/dbraw/zinc/63/37/57/549633757.db2.gz SKHCXAVAHPVSBR-JFIYKMOQSA-N 0 3 362.518 2.401 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000262157194 549793747 /nfs/dbraw/zinc/79/37/47/549793747.db2.gz OMHQVFBKMQXUDX-ZMSDIMECSA-N 0 3 371.485 2.315 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2cnn(-c3ccccc3)c2C2CC2)n1 ZINC000263138965 549880762 /nfs/dbraw/zinc/88/07/62/549880762.db2.gz CFPSYBJDOCSQBW-MRXNPFEDSA-N 0 3 350.426 2.376 10 0 FEAEHN CCc1c(-c2nc([C@H]3CNCCN3C)no2)cnn1-c1ccc(F)cc1 ZINC000263161430 549882169 /nfs/dbraw/zinc/88/21/69/549882169.db2.gz DWGMZGLQECDECG-MRXNPFEDSA-N 0 3 356.405 2.200 10 0 FEAEHN Cc1nc(CCc2nc([C@H]3CNCCN3C)no2)oc1-c1ccccc1 ZINC000263218790 549886285 /nfs/dbraw/zinc/88/62/85/549886285.db2.gz LLVOHUVXOPUSRE-OAHLLOKOSA-N 0 3 353.426 2.394 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2cnn(Cc3ccccc3Cl)c2)n1 ZINC000263248392 549889008 /nfs/dbraw/zinc/88/90/08/549889008.db2.gz PNKZYUWFMAJXEW-HNNXBMFYSA-N 0 3 358.833 2.211 10 0 FEAEHN C[C@H](CN[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)OC(C)(C)C ZINC000283373534 551355804 /nfs/dbraw/zinc/35/58/04/551355804.db2.gz ODSJPFSHBSOAAC-OLZOCXBDSA-N 0 3 371.503 2.240 10 0 FEAEHN COC1(c2nc(Cc3ccccc3)no2)CCN(CCn2cccn2)CC1 ZINC000284557358 551576684 /nfs/dbraw/zinc/57/66/84/551576684.db2.gz UAZWEGQNKCJWOD-UHFFFAOYSA-N 0 3 367.453 2.495 10 0 FEAEHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)c1nn2c(nccc2=O)s1 ZINC000301447771 553652697 /nfs/dbraw/zinc/65/26/97/553652697.db2.gz OSSAESHBFRAXPF-INIZCTEOSA-N 0 3 369.494 2.499 10 0 FEAEHN Cn1cc([C@H]2[C@H](CNCc3c(Cl)nc4ccccn43)CC(=O)N2C)cn1 ZINC000328618176 553796836 /nfs/dbraw/zinc/79/68/36/553796836.db2.gz DMLFFDQBOYNOJY-YVEFUNNKSA-N 0 3 372.860 2.030 10 0 FEAEHN C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000374179544 557838293 /nfs/dbraw/zinc/83/82/93/557838293.db2.gz UGXHIHKQTUSQAA-HQPSDWMKSA-N 0 3 352.519 2.178 10 0 FEAEHN CC[C@@H]1CN(Cn2c(=S)ncn2-c2ccccc2)CCN1CCOC ZINC000117325098 670914920 /nfs/dbraw/zinc/91/49/20/670914920.db2.gz MIMOFBHTKXJBFA-MRXNPFEDSA-N 0 3 361.515 2.403 10 0 FEAEHN Cc1sc(Br)cc1S(=O)(=O)N1C[C@@H](C)[C@H](N(C)C)C1 ZINC000124016010 671989088 /nfs/dbraw/zinc/98/90/88/671989088.db2.gz XPVYEKSAFRGCMA-PSASIEDQSA-N 0 3 367.334 2.390 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CNC[C@H]1CSCCS1 ZINC000151106733 672157012 /nfs/dbraw/zinc/15/70/12/672157012.db2.gz VQCMFQGRCHXRSF-AWEZNQCLSA-N 0 3 370.588 2.318 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000151214575 672158773 /nfs/dbraw/zinc/15/87/73/672158773.db2.gz IQPXNPWJRQYROK-IAQYHMDHSA-N 0 3 353.850 2.124 10 0 FEAEHN CC[C@@H](O)CN1CCN(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000174071106 672357638 /nfs/dbraw/zinc/35/76/38/672357638.db2.gz LHRPRKPJRWCCEL-DLBZAZTESA-N 0 3 355.523 2.022 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000177071391 672379802 /nfs/dbraw/zinc/37/98/02/672379802.db2.gz UJALLRQRWLBFEL-CQSZACIVSA-N 0 3 366.893 2.287 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000237011527 672805367 /nfs/dbraw/zinc/80/53/67/672805367.db2.gz RCDQLLHDKJRNPW-CXAGYDPISA-N 0 3 367.515 2.482 10 0 FEAEHN CC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)NCCN(C)C ZINC000005414087 539410415 /nfs/dbraw/zinc/41/04/15/539410415.db2.gz OZPANGUUEYKGPA-RDJZCZTQSA-N 0 3 363.477 2.382 10 0 FEAEHN CCNC(=O)N1CCC[C@H](c2cccc(C(=O)NCCN3CCCC3)c2)C1 ZINC000033264212 539972856 /nfs/dbraw/zinc/97/28/56/539972856.db2.gz ZMLPERZOEONSIK-IBGZPJMESA-N 0 3 372.513 2.421 10 0 FEAEHN CN(C)C[C@@H](NC(=O)CCc1nc(-c2ccccn2)no1)c1ccccc1 ZINC000048108934 540345567 /nfs/dbraw/zinc/34/55/67/540345567.db2.gz ZXGHYNSSEQFBQF-QGZVFWFLSA-N 0 3 365.437 2.483 10 0 FEAEHN CN(C[C@@H]1CCN(C)C1)S(=O)(=O)c1ccc(F)cc1Br ZINC000071193002 541765967 /nfs/dbraw/zinc/76/59/67/541765967.db2.gz RMHVJHTYMMLUFH-SNVBAGLBSA-N 0 3 365.268 2.160 10 0 FEAEHN Cc1ccccc1C(=O)N[C@H](C(=O)Nc1ccn(CCN(C)C)n1)C(C)C ZINC000072052242 541781067 /nfs/dbraw/zinc/78/10/67/541781067.db2.gz QVRCKJDJCSBHRU-SFHVURJKSA-N 0 3 371.485 2.146 10 0 FEAEHN CCCNC(=O)C1CCN(C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000073800566 542001302 /nfs/dbraw/zinc/00/13/02/542001302.db2.gz UUUFVXGQMHOVNR-GOSISDBHSA-N 0 3 368.905 2.456 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000247411603 549329806 /nfs/dbraw/zinc/32/98/06/549329806.db2.gz QDVKKGVIHFMXMS-PMPSAXMXSA-N 0 3 361.511 2.438 10 0 FEAEHN CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](N(C)CCOC)C2 ZINC000014539844 211094546 /nfs/dbraw/zinc/09/45/46/211094546.db2.gz JPAVDMGWCXBLHL-INIZCTEOSA-N 0 3 362.518 2.355 10 0 FEAEHN CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1ccco1)C2 ZINC000014752745 211100566 /nfs/dbraw/zinc/10/05/66/211100566.db2.gz MPUJGLLPBYGDPW-HNNXBMFYSA-N 0 3 372.469 2.006 10 0 FEAEHN Cc1ccc2[nH]c([C@@H](NC(=O)CN3CCCN(C)CC3)C(C)C)nc2c1 ZINC000067982665 221312324 /nfs/dbraw/zinc/31/23/24/221312324.db2.gz MZQIQPDFEQSXMZ-IBGZPJMESA-N 0 3 357.502 2.322 10 0 FEAEHN Cc1ccc2nc([C@@H](NC(=O)CN3CCCN(C)CC3)C(C)C)[nH]c2c1 ZINC000067982665 221312326 /nfs/dbraw/zinc/31/23/26/221312326.db2.gz MZQIQPDFEQSXMZ-IBGZPJMESA-N 0 3 357.502 2.322 10 0 FEAEHN COCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1ccccc1C)CC2 ZINC000091656278 542818050 /nfs/dbraw/zinc/81/80/50/542818050.db2.gz XBMOMEURHZGGRO-UHFFFAOYSA-N 0 3 368.481 2.241 10 0 FEAEHN O=C(COc1ccccc1CN1CCN2CCCC[C@@H]2C1)N1CCCC1 ZINC000092616192 542875854 /nfs/dbraw/zinc/87/58/54/542875854.db2.gz QFZHHMVBSRWKAD-LJQANCHMSA-N 0 3 357.498 2.358 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000092765258 542886515 /nfs/dbraw/zinc/88/65/15/542886515.db2.gz NEWROUYHBKMUND-DOTOQJQBSA-N 0 3 354.458 2.221 10 0 FEAEHN C[C@@H](NC(=O)N(C)CC1CCN(C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000103505973 543112581 /nfs/dbraw/zinc/11/25/81/543112581.db2.gz GXZOZHDONIUBQE-CQSZACIVSA-N 0 3 367.515 2.134 10 0 FEAEHN Cc1cccc(C)c1OC[C@H](O)CN(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106076825 543190983 /nfs/dbraw/zinc/19/09/83/543190983.db2.gz YJYMFQAFBLRINH-RTBURBONSA-N 0 3 370.497 2.434 10 0 FEAEHN CC(C)N1CCO[C@H](CN2CCN(Cc3cccc4cccnc43)CC2)C1 ZINC000106122215 543203616 /nfs/dbraw/zinc/20/36/16/543203616.db2.gz JFNFHPTYKVJARU-OAQYLSRUSA-N 0 3 368.525 2.462 10 0 FEAEHN CN([C@H]1CCN(c2ccccc2)C1=O)C1CCN(CCn2cccn2)CC1 ZINC000109379025 543323342 /nfs/dbraw/zinc/32/33/42/543323342.db2.gz CLVVOAFJCCSUPE-FQEVSTJZSA-N 0 3 367.497 2.085 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1nc(=O)c3c(C)c(C)sc3[nH]1)CC2 ZINC000112550719 543451169 /nfs/dbraw/zinc/45/11/69/543451169.db2.gz VNSQBCCLIZWHAI-JQWIXIFHSA-N 0 3 372.498 2.421 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000113231693 543478324 /nfs/dbraw/zinc/47/83/24/543478324.db2.gz WTXPZWCKDDFMAX-LPMFXHHGSA-N 0 3 357.479 2.311 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)CCOc3ccccc3)CC2)nc1 ZINC000114415295 543514771 /nfs/dbraw/zinc/51/47/71/543514771.db2.gz IMGNKQQGHUMSNF-UHFFFAOYSA-N 0 3 368.481 2.261 10 0 FEAEHN O=C(NCc1ccccc1OC1CCC1)NC[C@H](O)CN1CCCCC1 ZINC000118587226 543653491 /nfs/dbraw/zinc/65/34/91/543653491.db2.gz AWDJTHNFHVYONK-KRWDZBQOSA-N 0 3 361.486 2.264 10 0 FEAEHN C[C@H](NC(=O)N1CCN2CCC[C@H]2C1)c1ccc(N2CCCC2=O)cc1 ZINC000247489854 549342693 /nfs/dbraw/zinc/34/26/93/549342693.db2.gz LMDFRIRIJLKAIJ-YJBOKZPZSA-N 0 3 356.470 2.364 10 0 FEAEHN C[C@@H]1CN(S(=O)(=O)c2sccc2Br)C[C@@H]1N(C)C ZINC000124026383 543797495 /nfs/dbraw/zinc/79/74/95/543797495.db2.gz KBPPJVZUKZLXJO-SCZZXKLOSA-N 0 3 353.307 2.081 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2C)C1 ZINC000125126214 543862329 /nfs/dbraw/zinc/86/23/29/543862329.db2.gz LFTRIOSHYCZISD-QGZVFWFLSA-N 0 3 374.485 2.073 10 0 FEAEHN CCC[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)N(C)C)CCN1CCOC ZINC000128393920 544050132 /nfs/dbraw/zinc/05/01/32/544050132.db2.gz MRHDISGAWUQNCR-WOJBJXKFSA-N 0 3 361.530 2.119 10 0 FEAEHN CC(C)c1csc([C@@H]2CCCN(C[C@H](O)CN3CCOCC3)C2)n1 ZINC000131520281 544193524 /nfs/dbraw/zinc/19/35/24/544193524.db2.gz QYDRGUYZMWATKX-HZPDHXFCSA-N 0 3 353.532 2.139 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)C1 ZINC000134067766 544293555 /nfs/dbraw/zinc/29/35/55/544293555.db2.gz PWPAFRWGLFLMGJ-WBMJQRKESA-N 0 3 371.478 2.221 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000137208891 544386827 /nfs/dbraw/zinc/38/68/27/544386827.db2.gz FNTYDKGAYUPPMX-GJZGRUSLSA-N 0 3 370.291 2.266 10 0 FEAEHN CN(C(=O)NCC(C)(C)N1CCCCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000151926710 544596681 /nfs/dbraw/zinc/59/66/81/544596681.db2.gz WMDRGYYBIPSGNC-KRWDZBQOSA-N 0 3 374.533 2.351 10 0 FEAEHN CN1C(=O)C[C@H](C(=O)NCCN2CCCCCC2)[C@H]1c1ccc(F)cc1 ZINC000152153912 544618949 /nfs/dbraw/zinc/61/89/49/544618949.db2.gz JTAQFIZHLPCKLP-PKOBYXMFSA-N 0 3 361.461 2.337 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)CNC(=O)c2ccccc2C(F)(F)F)C1 ZINC000152296340 544635919 /nfs/dbraw/zinc/63/59/19/544635919.db2.gz GPERVIWCTQKGOU-GFCCVEGCSA-N 0 3 357.376 2.036 10 0 FEAEHN CNC(=O)c1cccc(CCNC(=O)N[C@@H](CN(C)C)c2ccccc2)c1 ZINC000153110473 544735100 /nfs/dbraw/zinc/73/51/00/544735100.db2.gz ASPJVXZLYZBDCV-IBGZPJMESA-N 0 3 368.481 2.191 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000154493142 544912676 /nfs/dbraw/zinc/91/26/76/544912676.db2.gz QUGZANBOLQWFFK-KSSFIOAISA-N 0 3 372.444 2.172 10 0 FEAEHN CCOCCN1CCN(C[C@H](O)Cn2cnc3cc(C)c(C)cc32)C[C@H]1C ZINC000247536112 549352541 /nfs/dbraw/zinc/35/25/41/549352541.db2.gz CMLRGUDZIKRRDX-MOPGFXCFSA-N 0 3 374.529 2.057 10 0 FEAEHN CN(C[C@@H](O)COCc1ccccc1F)[C@@H]1CCCN(c2cccnn2)C1 ZINC000155043329 544981300 /nfs/dbraw/zinc/98/13/00/544981300.db2.gz AAFHODWCNZJNAK-QZTJIDSGSA-N 0 3 374.460 2.094 10 0 FEAEHN CN(C(=O)CCc1ccc(O)cc1)C1CCN(CCn2cccn2)CC1 ZINC000183744279 327833449 /nfs/dbraw/zinc/83/34/49/327833449.db2.gz NNHSCWWRSCNDQG-UHFFFAOYSA-N 0 3 356.470 2.144 10 0 FEAEHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H]1c1ccco1 ZINC000186620843 327971389 /nfs/dbraw/zinc/97/13/89/327971389.db2.gz UJKLDVOBQWFIEW-OAHLLOKOSA-N 0 3 366.487 2.180 10 0 FEAEHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000187310917 328015686 /nfs/dbraw/zinc/01/56/86/328015686.db2.gz TUKXJOJHFDHFCH-QZTJIDSGSA-N 0 3 370.501 2.049 10 0 FEAEHN COc1cc(Br)ccc1CNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000187843202 328049945 /nfs/dbraw/zinc/04/99/45/328049945.db2.gz LSJXZVNBDPMELC-CQSZACIVSA-N 0 3 368.275 2.447 10 0 FEAEHN CCn1cnnc1[C@H]1CCCN(CCC(=O)N2CCc3ccccc3C2)C1 ZINC000188989597 328121797 /nfs/dbraw/zinc/12/17/97/328121797.db2.gz PORCNVJAOSWETH-IBGZPJMESA-N 0 3 367.497 2.452 10 0 FEAEHN CC[C@@H]1CN(CCC(=O)N2CCc3ccccc3C2)CCN1CCOC ZINC000189009977 328123200 /nfs/dbraw/zinc/12/32/00/328123200.db2.gz LQDWYJBRWFICGU-HXUWFJFHSA-N 0 3 359.514 2.004 10 0 FEAEHN Cc1ccc2cccc(NC(=O)C(=O)N3C[C@@H]4CCCN4C[C@@H]3C)c2n1 ZINC000190080553 328186467 /nfs/dbraw/zinc/18/64/67/328186467.db2.gz ACQRELJSCTWBAP-HOCLYGCPSA-N 0 3 352.438 2.177 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(Cl)c1N(C)C ZINC000190088693 328187214 /nfs/dbraw/zinc/18/72/14/328187214.db2.gz HAECRZPBJLFPCA-QWHCGFSZSA-N 0 3 364.877 2.040 10 0 FEAEHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000190156202 328191338 /nfs/dbraw/zinc/19/13/38/328191338.db2.gz FONPCYKWJHETJX-GOSISDBHSA-N 0 3 369.469 2.472 10 0 FEAEHN CCCc1cc(N2CC[C@@H](CN(C)Cc3cccnc3)C2)n2ncnc2n1 ZINC000190448315 328208361 /nfs/dbraw/zinc/20/83/61/328208361.db2.gz GACGMFJQTDCTPS-KRWDZBQOSA-N 0 3 365.485 2.430 10 0 FEAEHN Cc1cccc(CNC(=O)N2CCO[C@H](CN(C)C)C2)c1Br ZINC000190497589 328211694 /nfs/dbraw/zinc/21/16/94/328211694.db2.gz JUJDPYDPDSENBM-CQSZACIVSA-N 0 3 370.291 2.230 10 0 FEAEHN COc1cccc(OCC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190578495 328217528 /nfs/dbraw/zinc/21/75/28/328217528.db2.gz PRXCJNABJSMQFM-SFHVURJKSA-N 0 3 369.465 2.450 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)[C@@H]2CSCCS2)C1 ZINC000190644705 328221553 /nfs/dbraw/zinc/22/15/53/328221553.db2.gz ZYPNLWPZCRZKGL-CVEARBPZSA-N 0 3 351.541 2.211 10 0 FEAEHN COc1ccccc1NCC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190666015 328223048 /nfs/dbraw/zinc/22/30/48/328223048.db2.gz JKZROMWKKMGVQS-GOSISDBHSA-N 0 3 368.481 2.483 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NCc2cccc(O)c2)C1 ZINC000190699228 328225692 /nfs/dbraw/zinc/22/56/92/328225692.db2.gz WCSOHMXBBJFIDE-SFHVURJKSA-N 0 3 354.454 2.451 10 0 FEAEHN CCc1cnc(NC(=O)C(=O)N[C@@H](C)CN(C)Cc2ccccc2)s1 ZINC000190701488 328225824 /nfs/dbraw/zinc/22/58/24/328225824.db2.gz NHZARJHEESBGJN-ZDUSSCGKSA-N 0 3 360.483 2.281 10 0 FEAEHN CC[C@H](COC)NC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000190716352 328227109 /nfs/dbraw/zinc/22/71/09/328227109.db2.gz ZHLHDPBMZYYRFT-HUUCEWRRSA-N 0 3 354.520 2.340 10 0 FEAEHN C[C@@H](O)CC(C)(C)CNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190718967 328227393 /nfs/dbraw/zinc/22/73/93/328227393.db2.gz SZEYULRGYAZNFS-AEFFLSMTSA-N 0 3 362.518 2.342 10 0 FEAEHN Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H](CC(C)C)CN(C)C)C2=O)cc1 ZINC000191119432 328250713 /nfs/dbraw/zinc/25/07/13/328250713.db2.gz FKNFCVIFTREREX-RTBURBONSA-N 0 3 374.529 2.371 10 0 FEAEHN Cc1c(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)nnn1Cc1ccc(F)cc1 ZINC000192572242 328326532 /nfs/dbraw/zinc/32/65/32/328326532.db2.gz QHMOUXJGKUTFIL-SUMWQHHRSA-N 0 3 357.433 2.083 10 0 FEAEHN CCCCOC[C@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000193363955 328370768 /nfs/dbraw/zinc/37/07/68/328370768.db2.gz BTTFRWBYDPUYSF-MRXNPFEDSA-N 0 3 350.459 2.220 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cccc(Cl)c1N(C)C ZINC000193802830 328396043 /nfs/dbraw/zinc/39/60/43/328396043.db2.gz TYGPXIDEFXRGNM-ZDUSSCGKSA-N 0 3 368.909 2.437 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000237042131 328502524 /nfs/dbraw/zinc/50/25/24/328502524.db2.gz QSFSLPKMYBHXBV-XJKSGUPXSA-N 0 3 351.516 2.019 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)NC[C@@H](C)N1CCOCC1)c1ccccc1 ZINC000078545496 325051254 /nfs/dbraw/zinc/05/12/54/325051254.db2.gz PQNMBTKMDGJVPE-MJGOQNOKSA-N 0 3 362.518 2.089 10 0 FEAEHN COC(=O)CSCCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000078563194 325051667 /nfs/dbraw/zinc/05/16/67/325051667.db2.gz MNXMNTAZQCKQNF-KRWDZBQOSA-N 0 3 364.511 2.454 10 0 FEAEHN Clc1ccc(C2=NO[C@H](CN3CC[C@H](CN4CCOCC4)C3)C2)cc1 ZINC000091673519 325389551 /nfs/dbraw/zinc/38/95/51/325389551.db2.gz ADUDCDIPQIRREZ-QAPCUYQASA-N 0 3 363.889 2.487 10 0 FEAEHN Cc1ccccc1CNC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000109392190 325666724 /nfs/dbraw/zinc/66/67/24/325666724.db2.gz LLKZXJCYWDZIJQ-UHFFFAOYSA-N 0 3 355.486 2.498 10 0 FEAEHN COc1cccc([C@H](CNc2cc(N3CCC[C@@H]3CO)ncn2)N(C)C)c1 ZINC000110113974 325683750 /nfs/dbraw/zinc/68/37/50/325683750.db2.gz ZGUDMXMEPKJKSP-AEFFLSMTSA-N 0 3 371.485 2.161 10 0 FEAEHN Cc1nc(CCC(=O)N2CCO[C@@H](CN(C)C)C2)oc1-c1ccccc1 ZINC000116787061 326035120 /nfs/dbraw/zinc/03/51/20/326035120.db2.gz QIBZIJLNORFMMD-KRWDZBQOSA-N 0 3 357.454 2.372 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2cccc(OCc3cccnc3)c2)CCO1 ZINC000116783864 326035294 /nfs/dbraw/zinc/03/52/94/326035294.db2.gz CDWWVVXUHDIJPN-IBGZPJMESA-N 0 3 355.438 2.063 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000116789001 326035629 /nfs/dbraw/zinc/03/56/29/326035629.db2.gz FRBLUBUOSXFPEG-INIZCTEOSA-N 0 3 363.845 2.327 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Cc2csc(-c3cccc(F)c3)n2)CCO1 ZINC000116792046 326035878 /nfs/dbraw/zinc/03/58/78/326035878.db2.gz ZTTMZISOKVMMCB-MRXNPFEDSA-N 0 3 363.458 2.281 10 0 FEAEHN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000116790871 326035988 /nfs/dbraw/zinc/03/59/88/326035988.db2.gz XRPLIAAWVZDYMN-CHWSQXEVSA-N 0 3 360.376 2.262 10 0 FEAEHN CCCOc1cn(-c2ccccc2)nc1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000116796947 326036499 /nfs/dbraw/zinc/03/64/99/326036499.db2.gz ARGBKCMKWCNLGG-QGZVFWFLSA-N 0 3 372.469 2.064 10 0 FEAEHN CCOCCN1CCN(c2cncc(-n3nc(C)cc3C)n2)C[C@@H]1CC ZINC000116871411 326039160 /nfs/dbraw/zinc/03/91/60/326039160.db2.gz ZIUOWGKFWCWCII-KRWDZBQOSA-N 0 3 358.490 2.216 10 0 FEAEHN CC(C)CC(=O)Nc1ccc(NC(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000118799345 326102956 /nfs/dbraw/zinc/10/29/56/326102956.db2.gz HXQOYMIFGGIGQI-QGZVFWFLSA-N 0 3 362.474 2.466 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(N2CCOCC2)nc1C ZINC000119055752 326122617 /nfs/dbraw/zinc/12/26/17/326122617.db2.gz RZQVBHVFIUJODI-MRXNPFEDSA-N 0 3 361.490 2.175 10 0 FEAEHN CN(C)C[C@H]1CN(CC(=O)N[C@H](c2ccccc2)C2CCCC2)CCO1 ZINC000245929832 328580026 /nfs/dbraw/zinc/58/00/26/328580026.db2.gz PSRZCUNOGOFZAM-PZJWPPBQSA-N 0 3 359.514 2.297 10 0 FEAEHN C[C@H](OCc1ccccc1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000119703508 326189971 /nfs/dbraw/zinc/18/99/71/326189971.db2.gz VDCSJIKFNBBPMU-UWJYYQICSA-N 0 3 368.477 2.127 10 0 FEAEHN C[C@@H](Cc1ccccc1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000119868869 326206850 /nfs/dbraw/zinc/20/68/50/326206850.db2.gz VISBVBFNQRDRHS-UWJYYQICSA-N 0 3 352.478 2.401 10 0 FEAEHN C[C@H](CNC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)CN1CCN(C)CC1 ZINC000119877409 326207920 /nfs/dbraw/zinc/20/79/20/326207920.db2.gz NVCAPAJBFXYELV-AEFFLSMTSA-N 0 3 374.529 2.472 10 0 FEAEHN COc1ccccc1/C=C/CN1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000121050231 326309569 /nfs/dbraw/zinc/30/95/69/326309569.db2.gz OUJIEBJJEAZLJT-HSTAZWAASA-N 0 3 373.541 2.435 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NCCOc2ncccc2C(F)(F)F)C1 ZINC000122089101 326383362 /nfs/dbraw/zinc/38/33/62/326383362.db2.gz XZRJCNXZASVRPJ-GFCCVEGCSA-N 0 3 360.380 2.263 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)CCO1 ZINC000122454329 326397421 /nfs/dbraw/zinc/39/74/21/326397421.db2.gz ZHSJRESVROTODY-CABCVRRESA-N 0 3 359.392 2.132 10 0 FEAEHN CCC[C@H](C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)N(C)C ZINC000130259708 326553744 /nfs/dbraw/zinc/55/37/44/326553744.db2.gz CXNQZVVEOFXKPM-GOSISDBHSA-N 0 3 356.470 2.183 10 0 FEAEHN COC(=O)c1ccccc1-c1ccc(CN2CCO[C@@H](CN(C)C)C2)o1 ZINC000132059149 326586399 /nfs/dbraw/zinc/58/63/99/326586399.db2.gz LBWOQYAQGGPZFN-INIZCTEOSA-N 0 3 358.438 2.496 10 0 FEAEHN CNc1cc(N2CCC[C@@H]2CNCc2ccc(N3CCCC3)nc2)ncn1 ZINC000132214621 326588932 /nfs/dbraw/zinc/58/89/32/326588932.db2.gz MJCVUSWDHRKXKR-QGZVFWFLSA-N 0 3 367.501 2.272 10 0 FEAEHN CN(C)C[C@@H]1CN(CCC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000155249472 326782452 /nfs/dbraw/zinc/78/24/52/326782452.db2.gz IUVIJCLJROBRER-OAHLLOKOSA-N 0 3 370.291 2.040 10 0 FEAEHN COC(=O)N[C@@H](C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)C(C)C ZINC000155678372 326799556 /nfs/dbraw/zinc/79/95/56/326799556.db2.gz JBPRGJKQWCEEPA-RHSMWYFYSA-N 0 3 362.474 2.104 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](NC(=O)NC[C@H](C)N1CCC(C)CC1)CC2 ZINC000157921049 326879198 /nfs/dbraw/zinc/87/91/98/326879198.db2.gz YSEOJRVTDVXCNB-JKSUJKDBSA-N 0 3 362.522 2.136 10 0 FEAEHN Cc1cc(NC(=O)C(=O)N2CC[C@H](N(C)C)C2)ccc1OCC(F)(F)F ZINC000164423410 327069972 /nfs/dbraw/zinc/06/99/72/327069972.db2.gz AUNSRALCMKQELZ-ZDUSSCGKSA-N 0 3 373.375 2.037 10 0 FEAEHN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170861571 327103375 /nfs/dbraw/zinc/10/33/75/327103375.db2.gz CWYWFOLZZRQJEE-IAGOWNOFSA-N 0 3 363.527 2.009 10 0 FEAEHN Cc1occc1C(=O)Nc1nc(CC(=O)N2CC[C@H](N(C)C)C2)cs1 ZINC000170865666 327103704 /nfs/dbraw/zinc/10/37/04/327103704.db2.gz IKZQQJGDKLXEQP-ZDUSSCGKSA-N 0 3 362.455 2.002 10 0 FEAEHN Cc1ccc(N2CCCN(CCC(=O)Nc3ccccc3F)CC2)nn1 ZINC000170939342 327108544 /nfs/dbraw/zinc/10/85/44/327108544.db2.gz ZIMWRHXLIZEWAD-UHFFFAOYSA-N 0 3 357.433 2.465 10 0 FEAEHN CN(Cc1cc(Br)cs1)C(=O)CN1CCN2CCC[C@@H]2C1 ZINC000170958806 327110093 /nfs/dbraw/zinc/11/00/93/327110093.db2.gz GSEXIDPJPUCKEW-CYBMUJFWSA-N 0 3 372.332 2.249 10 0 FEAEHN CN(C)C[C@@H](NC(=O)Nc1cc(-n2cnnn2)ccc1F)c1ccccc1 ZINC000171212860 327125244 /nfs/dbraw/zinc/12/52/44/327125244.db2.gz HMNIGLNAJNGOTP-QGZVFWFLSA-N 0 3 369.404 2.226 10 0 FEAEHN Cc1c(C(=O)N2CCN3CCC[C@H]3C2)nnn1-c1ccc(F)c(Cl)c1 ZINC000171716413 327157382 /nfs/dbraw/zinc/15/73/82/327157382.db2.gz CFMXEIOGZWFIKJ-ZDUSSCGKSA-N 0 3 363.824 2.288 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000172060607 327178693 /nfs/dbraw/zinc/17/86/93/327178693.db2.gz QZDPLBZBQMPUAZ-CMPLNLGQSA-N 0 3 367.243 2.487 10 0 FEAEHN O=C1[C@@H](N2CCN3CCC[C@@H]3C2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000172151182 327184130 /nfs/dbraw/zinc/18/41/30/327184130.db2.gz QVXGVQGUIAKLAX-ZBFHGGJFSA-N 0 3 369.387 2.471 10 0 FEAEHN CCc1nc(COc2ccc(C(=O)N3CCN4CCC[C@H]4C3)cc2)no1 ZINC000172217267 327187857 /nfs/dbraw/zinc/18/78/57/327187857.db2.gz BIHCVHNNSBMFEO-HNNXBMFYSA-N 0 3 356.426 2.131 10 0 FEAEHN O=C(c1cn(-c2cccc(C(F)(F)F)c2)nn1)N1CCN2CCC[C@@H]2C1 ZINC000172542521 327207226 /nfs/dbraw/zinc/20/72/26/327207226.db2.gz VWJBELTXBLWKIR-CQSZACIVSA-N 0 3 365.359 2.206 10 0 FEAEHN CCOCCCNC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000173314608 327249458 /nfs/dbraw/zinc/24/94/58/327249458.db2.gz ARULUZWQUXVTJU-IBGZPJMESA-N 0 3 363.502 2.158 10 0 FEAEHN COCCN1CCC[C@H]1CNC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173494498 327261210 /nfs/dbraw/zinc/26/12/10/327261210.db2.gz QCWJMGHOZYHHSI-HOTGVXAUSA-N 0 3 366.531 2.451 10 0 FEAEHN CCc1nc([C@@H]2CN(C(=O)[C@@H](c3ccccc3)N(CC)CC)CCO2)n[nH]1 ZINC000173553697 327265924 /nfs/dbraw/zinc/26/59/24/327265924.db2.gz XTGWDIXZYRKRMB-FUHWJXTLSA-N 0 3 371.485 2.350 10 0 FEAEHN CCc1nnc([C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](CC)CC)CCO2)[n-]1 ZINC000173553697 327265925 /nfs/dbraw/zinc/26/59/25/327265925.db2.gz XTGWDIXZYRKRMB-FUHWJXTLSA-N 0 3 371.485 2.350 10 0 FEAEHN CCc1nnc([C@@H]2CN(C(=O)[C@@H](c3ccccc3)N(CC)CC)CCO2)[nH]1 ZINC000173553697 327265926 /nfs/dbraw/zinc/26/59/26/327265926.db2.gz XTGWDIXZYRKRMB-FUHWJXTLSA-N 0 3 371.485 2.350 10 0 FEAEHN CCc1nnc([C@@H]2CN(C(=O)c3cccc(CN4CCCC4)c3)CCO2)[nH]1 ZINC000173612957 327271158 /nfs/dbraw/zinc/27/11/58/327271158.db2.gz YLTOTSMUWDZVJX-KRWDZBQOSA-N 0 3 369.469 2.177 10 0 FEAEHN CCc1nc([C@@H]2CN(C(=O)c3cccc(CN4CCCC4)c3)CCO2)n[nH]1 ZINC000173612957 327271160 /nfs/dbraw/zinc/27/11/60/327271160.db2.gz YLTOTSMUWDZVJX-KRWDZBQOSA-N 0 3 369.469 2.177 10 0 FEAEHN COCCOCc1cc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)ccc1F ZINC000173744381 327280717 /nfs/dbraw/zinc/28/07/17/327280717.db2.gz VHGFLCNVLSQDEN-RHSMWYFYSA-N 0 3 350.434 2.297 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(N2CCNC2=O)ccc1Cl ZINC000173744494 327280858 /nfs/dbraw/zinc/28/08/58/327280858.db2.gz OCKOIUHZXGSMIT-GXTWGEPZSA-N 0 3 362.861 2.178 10 0 FEAEHN COc1ccc(Cl)cc1NC(=O)CCN1CC[C@@H](N2CCOCC2)C1 ZINC000173937301 327295859 /nfs/dbraw/zinc/29/58/59/327295859.db2.gz NAMFMRKEQQJNOE-OAHLLOKOSA-N 0 3 367.877 2.084 10 0 FEAEHN CC[C@H](O)CN1CCN(CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000174080557 327304940 /nfs/dbraw/zinc/30/49/40/327304940.db2.gz AJOVXEJWQGUYFP-AWEZNQCLSA-N 0 3 357.857 2.196 10 0 FEAEHN CNc1cc(N2CCC[C@H]2CN[C@H](C)C(=O)NC2CCC(C)CC2)ncn1 ZINC000174285061 327317044 /nfs/dbraw/zinc/31/70/44/327317044.db2.gz DXGAOPXSHJOXGV-MYBQVCMBSA-N 0 3 374.533 2.160 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)C1 ZINC000174584202 327336368 /nfs/dbraw/zinc/33/63/68/327336368.db2.gz WMKMCIVYTSLWKX-KRWDZBQOSA-N 0 3 373.497 2.211 10 0 FEAEHN CC[C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CCN1C[C@@H](C)O ZINC000174623542 327339404 /nfs/dbraw/zinc/33/94/04/327339404.db2.gz JLPYUKYLCROOED-YLJYHZDGSA-N 0 3 359.514 2.200 10 0 FEAEHN C[C@H](CNC(=O)N1CCC[C@H](n2cncn2)C1)N(C)Cc1ccccc1 ZINC000174833500 327354037 /nfs/dbraw/zinc/35/40/37/327354037.db2.gz WHNBGRDIJHHULO-AEFFLSMTSA-N 0 3 356.474 2.145 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1nn(-c2ccccc2)c(C)cc1=O ZINC000175007401 327367549 /nfs/dbraw/zinc/36/75/49/327367549.db2.gz HFGRJCHBAPWEGB-FUHWJXTLSA-N 0 3 366.465 2.240 10 0 FEAEHN CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CCCn3ncnc32)CC1 ZINC000176595521 327465206 /nfs/dbraw/zinc/46/52/06/327465206.db2.gz IHGAVIYFBHSBOF-INIZCTEOSA-N 0 3 358.446 2.012 10 0 FEAEHN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000246438133 328617550 /nfs/dbraw/zinc/61/75/50/328617550.db2.gz DOSMPDXPCJMMBT-AEFFLSMTSA-N 0 3 372.513 2.475 10 0 FEAEHN NC1(C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CCOCC1 ZINC000261686835 328811741 /nfs/dbraw/zinc/81/17/41/328811741.db2.gz CUPYLDPXVWXQLT-LBPRGKRZSA-N 0 3 359.253 2.481 10 0 FEAEHN NC1(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)CCOCC1 ZINC000261859731 328824761 /nfs/dbraw/zinc/82/47/61/328824761.db2.gz NAXQNKWYIQTTPS-UHFFFAOYSA-N 0 3 356.304 2.202 10 0 FEAEHN C[C@@H]1CN(c2ccc(N[C@@H]3CCC[C@@H]3[C@@H]3COCCN3)cn2)C[C@H](C)O1 ZINC000261900582 328828007 /nfs/dbraw/zinc/82/80/07/328828007.db2.gz HQSYQRNQFCIXPB-BVRUVYRISA-N 0 3 360.502 2.264 10 0 FEAEHN N[C@@H]1CN(C(=O)CN2c3ccccc3CCCC2=O)C[C@H]1c1ccccc1 ZINC000262254668 328854398 /nfs/dbraw/zinc/85/43/98/328854398.db2.gz QMLPQJREOLRGRL-RBUKOAKNSA-N 0 3 363.461 2.309 10 0 FEAEHN Cc1cc(C)c(N2C[C@@H](c3nc([C@H]4CNCCN4C)no3)CC2=O)c(C)c1 ZINC000263228057 328926943 /nfs/dbraw/zinc/92/69/43/328926943.db2.gz NAWIEGSQXAUSJI-JKSUJKDBSA-N 0 3 369.469 2.091 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(CN[C@@H](c2ccccc2)C(F)(F)F)n1 ZINC000263261376 328928991 /nfs/dbraw/zinc/92/89/91/328928991.db2.gz QZKDUASXJKLMSJ-OCCSQVGLSA-N 0 3 355.364 2.039 10 0 FEAEHN CCc1cc(N2CCN(C[C@@H](C)O)[C@@H](CC)C2)nc(-c2ccncc2)n1 ZINC000264561623 329035917 /nfs/dbraw/zinc/03/59/17/329035917.db2.gz PCOGRVWNZFCIRV-QAPCUYQASA-N 0 3 355.486 2.382 10 0 FEAEHN Cc1noc(-c2cccnc2NC[C@H](O)CN2CCc3ccccc3C2)n1 ZINC000267163146 329298067 /nfs/dbraw/zinc/29/80/67/329298067.db2.gz AMWHVVXILKQPHO-KRWDZBQOSA-N 0 3 365.437 2.271 10 0 FEAEHN CC(C)(C)OC(=O)N[C@H]1CCN(C[C@@H](O)COCc2ccccc2)C1 ZINC000156387425 545624130 /nfs/dbraw/zinc/62/41/30/545624130.db2.gz XCVLNBPHZVVWBY-DLBZAZTESA-N 0 3 350.459 2.163 10 0 FEAEHN CCC[C@@H](C(=O)NC[C@H](O)COc1ccccc1Br)N(C)C ZINC000157773833 545781379 /nfs/dbraw/zinc/78/13/79/545781379.db2.gz JDESFKLAQVTFHE-JSGCOSHPSA-N 0 3 373.291 2.035 10 0 FEAEHN Cc1coc(-c2cccc(NC(=O)C(=O)N[C@@H]3CN(C(C)C)C[C@@H]3C)c2)n1 ZINC000158080984 545820536 /nfs/dbraw/zinc/82/05/36/545820536.db2.gz PACRFCDVRAIHOC-SUMWQHHRSA-N 0 3 370.453 2.433 10 0 FEAEHN Cc1cnn([C@H]2CCCN(CC(=O)NC[C@@H](c3ccccc3)N(C)C)C2)c1 ZINC000158423765 545860087 /nfs/dbraw/zinc/86/00/87/545860087.db2.gz ZPVKDPDJZATEPC-PMACEKPBSA-N 0 3 369.513 2.248 10 0 FEAEHN C[C@@H](NC(=O)NCCCN(C)Cc1ccccc1)c1nnc2n1CCCC2 ZINC000158440752 545861363 /nfs/dbraw/zinc/86/13/63/545861363.db2.gz RABKVBPURQNXCW-MRXNPFEDSA-N 0 3 370.501 2.497 10 0 FEAEHN C[C@H]1CCCN(c2cc(N3CCN(CC4CCOCC4)CC3)ncn2)C1 ZINC000172411199 546251652 /nfs/dbraw/zinc/25/16/52/546251652.db2.gz YCMKELPJUFZGJQ-KRWDZBQOSA-N 0 3 359.518 2.262 10 0 FEAEHN COCCN1CCC(NC(=O)N2CCCC[C@H]2c2nccs2)CC1 ZINC000176273381 546426511 /nfs/dbraw/zinc/42/65/11/546426511.db2.gz LRQDIWPIDFPJGB-HNNXBMFYSA-N 0 3 352.504 2.491 10 0 FEAEHN CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000176519882 546456617 /nfs/dbraw/zinc/45/66/17/546456617.db2.gz GLYWUEMFLIZLDT-SJORKVTESA-N 0 3 365.543 2.454 10 0 FEAEHN C[C@@H](O)CN1CCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC000176817591 546492911 /nfs/dbraw/zinc/49/29/11/546492911.db2.gz YBTNSFLZAYMVAW-ZIAGYGMSSA-N 0 3 373.419 2.421 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(F)cc1OC(F)F ZINC000176905100 546505271 /nfs/dbraw/zinc/50/52/71/546505271.db2.gz PMTYILWTGPZRES-LBPRGKRZSA-N 0 3 373.375 2.308 10 0 FEAEHN Cc1ccc2nc(CN(C)C3CCN(CCn4cccn4)CC3)cn2c1 ZINC000176917600 546508362 /nfs/dbraw/zinc/50/83/62/546508362.db2.gz CEJBHZWPDSNFCZ-UHFFFAOYSA-N 0 3 352.486 2.436 10 0 FEAEHN CCOC(=O)Cc1csc(NC(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)n1 ZINC000177028725 546526209 /nfs/dbraw/zinc/52/62/09/546526209.db2.gz MJAXMUKPKBEEPN-WCQYABFASA-N 0 3 354.476 2.099 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1nnn(-c2ccc(OC)cc2)c1C ZINC000177031190 546527635 /nfs/dbraw/zinc/52/76/35/546527635.db2.gz KEOCHDCKTQAVFH-INIZCTEOSA-N 0 3 357.458 2.141 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000177422840 546614599 /nfs/dbraw/zinc/61/45/99/546614599.db2.gz YWOOGNCSWMBOFN-AZUAARDMSA-N 0 3 359.514 2.127 10 0 FEAEHN O=C(Nc1cccc(OC2CCCC2)c1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177690982 546668204 /nfs/dbraw/zinc/66/82/04/546668204.db2.gz PYNHWXBAVVFIPV-MRXNPFEDSA-N 0 3 357.454 2.253 10 0 FEAEHN COc1cccc(CN(C)C(=O)CN2CCC[C@H]2Cn2ccnc2C)c1 ZINC000178314175 546774247 /nfs/dbraw/zinc/77/42/47/546774247.db2.gz JFUQPNBYZVDMAR-SFHVURJKSA-N 0 3 356.470 2.323 10 0 FEAEHN COC(=O)c1ccc(CS(=O)(=O)NC[C@H]2CCCN2CC(C)C)cc1 ZINC000178816273 546854395 /nfs/dbraw/zinc/85/43/95/546854395.db2.gz KWINFUZGIBEAHU-QGZVFWFLSA-N 0 3 368.499 2.013 10 0 FEAEHN CCC[C@H](C(=O)N1CCN(c2ccc(Br)cn2)CC1)N(C)C ZINC000179496733 546965794 /nfs/dbraw/zinc/96/57/94/546965794.db2.gz QHYLSVOOQACOIA-CQSZACIVSA-N 0 3 369.307 2.223 10 0 FEAEHN CCCN1C(=O)CCc2cc(NC(=O)N3CCO[C@@H](CN(C)C)C3)ccc21 ZINC000181481366 547322308 /nfs/dbraw/zinc/32/23/08/547322308.db2.gz RGLAPOXCABYGAV-KRWDZBQOSA-N 0 3 374.485 2.170 10 0 FEAEHN Cc1cnn(Cc2cc(C(=O)N[C@@H](C)CN(C)Cc3ccccc3)no2)c1 ZINC000182062151 547429827 /nfs/dbraw/zinc/42/98/27/547429827.db2.gz QMMULDMDMAAQDM-INIZCTEOSA-N 0 3 367.453 2.478 10 0 FEAEHN O[C@H](COc1ccccc1C(F)(F)F)CN1CCC[C@H](n2cncn2)C1 ZINC000182239857 547458847 /nfs/dbraw/zinc/45/88/47/547458847.db2.gz HURRHSYYGKZBQU-KBPBESRZSA-N 0 3 370.375 2.374 10 0 FEAEHN CC(C)c1nnc(CS(=O)(=O)C(C)C(=O)N(C)C2CCCCC2)n1C ZINC000182388954 547484281 /nfs/dbraw/zinc/48/42/81/547484281.db2.gz KFZUSLUHCRYLIJ-ZDUSSCGKSA-N 0 3 370.519 2.033 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182484181 547501107 /nfs/dbraw/zinc/50/11/07/547501107.db2.gz ZZPMLAPHQHQGNX-DZGCQCFKSA-N 0 3 357.483 2.459 10 0 FEAEHN COc1cc(CCNC(=O)CN[C@@H](C)[C@H]2CCCO2)ccc1OC(F)F ZINC000183171155 547614555 /nfs/dbraw/zinc/61/45/55/547614555.db2.gz LPJDBPCNRWVIFO-GXTWGEPZSA-N 0 3 372.412 2.112 10 0 FEAEHN C[C@@H](CCc1cccc(F)c1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000183275635 547631333 /nfs/dbraw/zinc/63/13/33/547631333.db2.gz IZDATTAZAKJGTP-HNNXBMFYSA-N 0 3 354.433 2.407 10 0 FEAEHN COc1ccccc1S(=O)(=O)CCCN1C[C@H]2CCCN2C[C@H]1C ZINC000184215699 547789213 /nfs/dbraw/zinc/78/92/13/547789213.db2.gz VUVOWYAYNUQDEM-HZPDHXFCSA-N 0 3 352.500 2.028 10 0 FEAEHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000185455150 547987486 /nfs/dbraw/zinc/98/74/86/547987486.db2.gz VSTPJXMPOOJHPS-ZIAGYGMSSA-N 0 3 354.445 2.351 10 0 FEAEHN CCc1c(C(=O)N2CCO[C@@H](CN(C)C)C2)cnn1-c1ccccc1C ZINC000185749295 548029974 /nfs/dbraw/zinc/02/99/74/548029974.db2.gz ZKSKWMFUIDRVIJ-INIZCTEOSA-N 0 3 356.470 2.146 10 0 FEAEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(CC(=O)N3CCCCC3)C[C@@H]21 ZINC000186037093 548076006 /nfs/dbraw/zinc/07/60/06/548076006.db2.gz OWDXNUGRVHFOJO-HRCADAONSA-N 0 3 351.491 2.234 10 0 FEAEHN COC(=O)C1(CNC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000186787054 548194339 /nfs/dbraw/zinc/19/43/39/548194339.db2.gz JBMLHMFTJMYNLR-KRWDZBQOSA-N 0 3 359.470 2.294 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2cn3ccnc3s2)C1 ZINC000189245864 548299545 /nfs/dbraw/zinc/29/95/45/548299545.db2.gz ZKVLGBIRSRQJCO-OAHLLOKOSA-N 0 3 355.467 2.385 10 0 FEAEHN COCCN1CCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000194526420 548494254 /nfs/dbraw/zinc/49/42/54/548494254.db2.gz PNHLRNPSLLOUPS-FQEVSTJZSA-N 0 3 374.529 2.015 10 0 FEAEHN CCC[C@H](N)C(=O)N1CCN(Cc2csc([C@H](C)OCC)n2)CC1 ZINC000236825556 548782178 /nfs/dbraw/zinc/78/21/78/548782178.db2.gz KSUDEDRMMOEBNU-ZFWWWQNUSA-N 0 3 354.520 2.012 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H](NC(=O)c1cccs1)C(C)C ZINC000245436590 548918686 /nfs/dbraw/zinc/91/86/86/548918686.db2.gz VIIUCHGIDLLXOE-HOCLYGCPSA-N 0 3 351.516 2.445 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000245437775 548920458 /nfs/dbraw/zinc/92/04/58/548920458.db2.gz WZCKCWASHSXQIC-XYJFISCASA-N 0 3 360.502 2.252 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000245456720 548924991 /nfs/dbraw/zinc/92/49/91/548924991.db2.gz BOTJJGHBTDRFEK-RBUKOAKNSA-N 0 3 372.513 2.476 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](N[C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245636839 548962425 /nfs/dbraw/zinc/96/24/25/548962425.db2.gz AGNWAKBCLAYLSU-KCPJHIHWSA-N 0 3 354.292 2.294 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000245929299 549022576 /nfs/dbraw/zinc/02/25/76/549022576.db2.gz QFTRWQIUSWHFFM-QAPCUYQASA-N 0 3 356.474 2.454 10 0 FEAEHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000245994293 549033205 /nfs/dbraw/zinc/03/32/05/549033205.db2.gz ATBNTAAFWIDIQM-HYVNUMGLSA-N 0 3 365.468 2.458 10 0 FEAEHN O=C(CN1CCN2CCC[C@H]2C1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000246230948 549084342 /nfs/dbraw/zinc/08/43/42/549084342.db2.gz CFQXFHUVGPQZFF-ZDUSSCGKSA-N 0 3 365.861 2.220 10 0 FEAEHN FC(F)(F)c1ccc(-n2nnnc2CN2CCN3CCCC[C@H]3C2)cc1 ZINC000246250229 549088606 /nfs/dbraw/zinc/08/86/06/549088606.db2.gz WQFPMQRWLKKZLN-HNNXBMFYSA-N 0 3 366.391 2.351 10 0 FEAEHN CC(C)OCc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000246271736 549093763 /nfs/dbraw/zinc/09/37/63/549093763.db2.gz AODIDEPCZGOENO-CRAIPNDOSA-N 0 3 361.486 2.395 10 0 FEAEHN C[C@@H]1CN(c2ccc(NC(=O)CN3CCN4CCC[C@H]4C3)cc2)C[C@H](C)O1 ZINC000246321385 549105051 /nfs/dbraw/zinc/10/50/51/549105051.db2.gz KNBPHFPQAFKIHF-QKLQHJQFSA-N 0 3 372.513 2.019 10 0 FEAEHN COc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c2cccnc12 ZINC000246370635 549116157 /nfs/dbraw/zinc/11/61/57/549116157.db2.gz JAYICTBQGNRUTK-CZUORRHYSA-N 0 3 370.453 2.027 10 0 FEAEHN C[C@H](O)CN1CCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC000246611278 549174490 /nfs/dbraw/zinc/17/44/90/549174490.db2.gz YBTNSFLZAYMVAW-KGLIPLIRSA-N 0 3 373.419 2.421 10 0 FEAEHN CC(C)CNC(=O)c1cccc(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000246614066 549175103 /nfs/dbraw/zinc/17/51/03/549175103.db2.gz YHLLNCFCVNFSHY-YLJYHZDGSA-N 0 3 359.514 2.225 10 0 FEAEHN CC(C)Cn1nc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c2ccccc2c1=O ZINC000246798520 549215836 /nfs/dbraw/zinc/21/58/36/549215836.db2.gz BTJHBUJLYIXIEU-HOTGVXAUSA-N 0 3 368.481 2.361 10 0 FEAEHN O[C@H](COCc1ccc(Cl)cc1)CN1CCS[C@@H]2COCC[C@@H]21 ZINC000246881609 549234178 /nfs/dbraw/zinc/23/41/78/549234178.db2.gz LTOONWLYSYMTKN-YESZJQIVSA-N 0 3 357.903 2.424 10 0 FEAEHN C/C=C/c1ccc(OC[C@H](O)CN2CCC[C@@H](n3cncn3)C2)c(OC)c1 ZINC000246965875 549252776 /nfs/dbraw/zinc/25/27/76/549252776.db2.gz BUUKWRRCEQELCT-FLSJAXMZSA-N 0 3 372.469 2.397 10 0 FEAEHN COc1cccc(N2CCC[C@H](NC(=O)N3CCN4CCC[C@H]4C3)C2)c1 ZINC000247244012 549305507 /nfs/dbraw/zinc/30/55/07/549305507.db2.gz XFUXBIAHZMPNSM-WMZOPIPTSA-N 0 3 358.486 2.154 10 0 FEAEHN CCOCCN1CCN(C(=O)[C@H](Cc2ccccc2)N(C)C)C[C@H]1CC ZINC000247583581 549362808 /nfs/dbraw/zinc/36/28/08/549362808.db2.gz ZBIRJONUFVHEAE-UXHICEINSA-N 0 3 361.530 2.119 10 0 FEAEHN CC[C@H]1CN(C[C@@H](O)COc2c(C)ccc(C)c2C)CCN1CCOC ZINC000247609363 549366177 /nfs/dbraw/zinc/36/61/77/549366177.db2.gz MDWVHQXFCIEOHM-VQTJNVASSA-N 0 3 364.530 2.394 10 0 FEAEHN O[C@@H](COc1ccc(Cl)cc1)CN1CCCN(c2cccnn2)CC1 ZINC000247602436 549366270 /nfs/dbraw/zinc/36/62/70/549366270.db2.gz LDSXWXBLACYXGD-MRXNPFEDSA-N 0 3 362.861 2.082 10 0 FEAEHN C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000247771854 549378494 /nfs/dbraw/zinc/37/84/94/549378494.db2.gz PITVGYIZAZGJKK-DOTOQJQBSA-N 0 3 359.449 2.176 10 0 FEAEHN Cc1cccc(C)c1OC[C@@H](O)CN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247875273 549388942 /nfs/dbraw/zinc/38/89/42/549388942.db2.gz YJYMFQAFBLRINH-OALUTQOASA-N 0 3 370.497 2.434 10 0 FEAEHN CCCc1cnc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2CC)s1 ZINC000248656308 549478926 /nfs/dbraw/zinc/47/89/26/549478926.db2.gz DMWHNOWUEWHDOQ-OLZOCXBDSA-N 0 3 350.488 2.119 10 0 FEAEHN C[C@@H]1C(=O)NCCCN1C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000249032447 549540205 /nfs/dbraw/zinc/54/02/05/549540205.db2.gz LVJKZWLWBOJNOG-HZPDHXFCSA-N 0 3 351.450 2.366 10 0 FEAEHN CCOCc1cccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2CC)c1 ZINC000249111449 549554275 /nfs/dbraw/zinc/55/42/75/549554275.db2.gz AQXHDVBIFUNNGH-MSOLQXFVSA-N 0 3 359.470 2.247 10 0 FEAEHN C[C@H]1CN(Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H]1N1CCOCC1 ZINC000249192252 549566827 /nfs/dbraw/zinc/56/68/27/549566827.db2.gz AFQLKLOEALUIJQ-OXJNMPFZSA-N 0 3 358.461 2.223 10 0 FEAEHN Cc1coc(-c2cccc(NC(=O)C(=O)N3C[C@@H]4CCCN4C[C@H]3C)c2)n1 ZINC000249207887 549569330 /nfs/dbraw/zinc/56/93/30/549569330.db2.gz SAQKQJWZPAFVJB-PBHICJAKSA-N 0 3 368.437 2.284 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000249264815 549574539 /nfs/dbraw/zinc/57/45/39/549574539.db2.gz ZIUYLURCQOZSEM-SJORKVTESA-N 0 3 369.465 2.229 10 0 FEAEHN CSc1ccc(N2C[C@H](C(=O)N3CCN4CCC[C@H]4C3)CC2=O)cc1 ZINC000249827595 549631551 /nfs/dbraw/zinc/63/15/51/549631551.db2.gz LTMUVVOOWJEHNN-ZBFHGGJFSA-N 0 3 359.495 2.068 10 0 FEAEHN C[C@H]1CN(S(=O)(=O)c2sccc2Br)C[C@H]1N(C)C ZINC000251724635 549653487 /nfs/dbraw/zinc/65/34/87/549653487.db2.gz KBPPJVZUKZLXJO-WCBMZHEXSA-N 0 3 353.307 2.081 10 0 FEAEHN CC(C)n1cc(CN2CCC3(CC[C@@H](CN4CCOCC4)O3)CC2)cn1 ZINC000257188463 549714423 /nfs/dbraw/zinc/71/44/23/549714423.db2.gz FNCITFDPEJFPQT-IBGZPJMESA-N 0 3 362.518 2.310 10 0 FEAEHN Cc1nnc([C@H]2CC3(CN2C(=O)c2ccccc2)CCN(CCO)CC3)o1 ZINC000257191182 549714495 /nfs/dbraw/zinc/71/44/95/549714495.db2.gz PGNRIHCRUMSRMA-QGZVFWFLSA-N 0 3 370.453 2.040 10 0 FEAEHN NC1(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CCOCC1 ZINC000261929914 549771166 /nfs/dbraw/zinc/77/11/66/549771166.db2.gz WBHILSRUBWTTJS-UHFFFAOYSA-N 0 3 365.905 2.176 10 0 FEAEHN NC1(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)CCOCC1 ZINC000261939403 549771907 /nfs/dbraw/zinc/77/19/07/549771907.db2.gz XEFVYLBBXPHXHP-UHFFFAOYSA-N 0 3 361.423 2.028 10 0 FEAEHN CC(C)c1noc(-c2ccccc2-c2nc([C@@H]3CNCCN3C)no2)n1 ZINC000263184901 549883914 /nfs/dbraw/zinc/88/39/14/549883914.db2.gz HDUVMWVKMPFSSC-AWEZNQCLSA-N 0 3 354.414 2.486 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2nn(-c3ccc(F)cc3)c3c2CCC3)n1 ZINC000263203952 549885655 /nfs/dbraw/zinc/88/56/55/549885655.db2.gz JLALINMZYUMEEM-MRXNPFEDSA-N 0 3 368.416 2.126 10 0 FEAEHN C[C@@H](NC[C@@H](C)N(C)C(=O)OC(C)(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000283373530 551355828 /nfs/dbraw/zinc/35/58/28/551355828.db2.gz ODSJPFSHBSOAAC-CHWSQXEVSA-N 0 3 371.503 2.240 10 0 FEAEHN COCCN1C(=O)N[C@@H]2CN(c3c(C)cnc4c(C)cccc43)CC[C@@H]21 ZINC000299743721 553610125 /nfs/dbraw/zinc/61/01/25/553610125.db2.gz PCBISKMNGXCFIX-SJORKVTESA-N 0 3 354.454 2.471 10 0 FEAEHN C[C@H](N)C(=O)Nc1cc(I)ccc1Br ZINC000300997152 553617840 /nfs/dbraw/zinc/61/78/40/553617840.db2.gz WPTIQTNBWPKEOD-YFKPBYRVSA-N 0 3 369.000 2.339 10 0 FEAEHN C[C@@H]1CCN(c2nn3c(nccc3=O)s2)CCN1Cc1ccccc1 ZINC000301435119 553651644 /nfs/dbraw/zinc/65/16/44/553651644.db2.gz KAQJKSCZMABAOU-CQSZACIVSA-N 0 3 355.467 2.252 10 0 FEAEHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1cc(N2CCC[C@H]2CO)ncn1 ZINC000302189221 553709541 /nfs/dbraw/zinc/70/95/41/553709541.db2.gz XRHGUBRRZFBYPL-NZSAHSFTSA-N 0 3 367.497 2.370 10 0 FEAEHN O=C(Nc1nnc(C2CCCCC2)s1)N1C[C@@H](N2CCCC2)[C@@H](O)C1 ZINC000072306032 670495562 /nfs/dbraw/zinc/49/55/62/670495562.db2.gz OAESIMMNXNGIEP-KGLIPLIRSA-N 0 3 365.503 2.259 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Nc2cccc(C[S@@](=O)CCOC)c2)C1 ZINC000117020014 670911114 /nfs/dbraw/zinc/91/11/14/670911114.db2.gz GYAHMHQXJSBMAY-SSOJOUAXSA-N 0 3 367.515 2.188 10 0 FEAEHN CCOCCN1CCN(Cn2nc(N(C)C)sc2=S)C[C@H]1CC ZINC000152620490 672184644 /nfs/dbraw/zinc/18/46/44/672184644.db2.gz VEPAMZFVAQOQBL-CYBMUJFWSA-N 0 3 359.565 2.130 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000171218728 672330618 /nfs/dbraw/zinc/33/06/18/672330618.db2.gz FZMXWPIJCKPPAF-OAHLLOKOSA-N 0 3 350.438 2.268 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000245895663 672825825 /nfs/dbraw/zinc/82/58/25/672825825.db2.gz DHMOTSQMYDIXOM-HUUCEWRRSA-N 0 3 354.495 2.169 10 0 FEAEHN CC(=O)Nc1cc(CNCC(C)(C)C)cc(C(=O)N2CCN(C)CC2)c1 ZINC000012056935 539542108 /nfs/dbraw/zinc/54/21/08/539542108.db2.gz FLUCXZOSCQYKGN-UHFFFAOYSA-N 0 3 360.502 2.168 10 0 FEAEHN CNS(=O)(=O)CCc1ccc2c(c1)c(C1CCN(C)CC1)cn2N=O ZINC000044135878 540118832 /nfs/dbraw/zinc/11/88/32/540118832.db2.gz PJYPKUNIMYGSTA-UHFFFAOYSA-N 0 3 364.471 2.072 10 0 in-vitro FEAEHN Cc1cc(C)n(-c2ccccc2NC(=O)NC[C@@H](O)CN2CCCCC2)n1 ZINC000044208449 540120266 /nfs/dbraw/zinc/12/02/66/540120266.db2.gz CWZMIKXATDBOIJ-QGZVFWFLSA-N 0 3 371.485 2.457 10 0 FEAEHN CN(C)C[C@H](NC(=O)NC[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC000045185465 540206320 /nfs/dbraw/zinc/20/63/20/540206320.db2.gz GYIJHOXBWGXLHW-ZBFHGGJFSA-N 0 3 372.435 2.473 10 0 FEAEHN CN(C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000048765191 540372911 /nfs/dbraw/zinc/37/29/11/540372911.db2.gz RJWIPBGYFHVSJI-QGZVFWFLSA-N 0 3 353.422 2.327 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NCc2ccn(-c3ccc(OC)cc3)n2)C1 ZINC000056822367 540747931 /nfs/dbraw/zinc/74/79/31/540747931.db2.gz UMCPCZLYPJPKNR-INIZCTEOSA-N 0 3 357.458 2.164 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000057869722 540820642 /nfs/dbraw/zinc/82/06/42/540820642.db2.gz NPMOXARHQCRMGW-HOCLYGCPSA-N 0 3 367.515 2.277 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)C1 ZINC000067408135 541458834 /nfs/dbraw/zinc/45/88/34/541458834.db2.gz CZWHCSNWIDVPHC-LJQANCHMSA-N 0 3 372.513 2.383 10 0 FEAEHN Cc1ccc(S(=O)(=O)N(C)C[C@H]2CCN(C)C2)c(Br)c1 ZINC000071192998 541766077 /nfs/dbraw/zinc/76/60/77/541766077.db2.gz LHLLTQKEQPZXAS-LBPRGKRZSA-N 0 3 361.305 2.330 10 0 FEAEHN Cc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3C3CCN(C)CC3)n2)cc1F ZINC000015674318 220159732 /nfs/dbraw/zinc/15/97/32/220159732.db2.gz DRWXARKDKOVSTK-WBVHZDCISA-N 0 3 360.433 2.386 10 0 FEAEHN CCN(CC)C(=O)[C@H]1CCCN1C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000073793471 541999886 /nfs/dbraw/zinc/99/98/86/541999886.db2.gz MKNNSAKQKQTXEK-RBUKOAKNSA-N 0 3 374.529 2.202 10 0 FEAEHN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000247398383 549329457 /nfs/dbraw/zinc/32/94/57/549329457.db2.gz QWQLOFNPEFLYAQ-NEWSRXKRSA-N 0 3 359.514 2.359 10 0 FEAEHN CN(C)CCNC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)C1CCC1)CC3 ZINC000075483654 542182462 /nfs/dbraw/zinc/18/24/62/542182462.db2.gz FBGZKLKDNDGUSD-UHFFFAOYSA-N 0 3 368.481 2.144 10 0 FEAEHN C[C@H](NC[C@H](O)COc1cnsn1)c1cccc(Br)c1 ZINC000038012403 211348008 /nfs/dbraw/zinc/34/80/08/211348008.db2.gz BMLSLPGQKZGZMG-CABZTGNLSA-N 0 3 358.261 2.391 10 0 FEAEHN COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CC[C@@H](C)[NH3+] ZINC000063171111 221142414 /nfs/dbraw/zinc/14/24/14/221142414.db2.gz ICMBAPAJOKCPMF-SSDOTTSWSA-N 0 3 371.684 2.127 10 0 FEAEHN CCc1nccc(CN2CCCC3(CCN(C(=O)COC)CC3)CC2)n1 ZINC000067771071 221282874 /nfs/dbraw/zinc/28/28/74/221282874.db2.gz ZOSDSAOVVXHBFB-UHFFFAOYSA-N 0 3 360.502 2.280 10 0 FEAEHN C[C@@H](CNC(=O)N1CCN2CCCC[C@@H]2C1)N1CCc2sccc2C1 ZINC000105150318 543162489 /nfs/dbraw/zinc/16/24/89/543162489.db2.gz AQZBYDBGMWBQHS-DOTOQJQBSA-N 0 3 362.543 2.374 10 0 FEAEHN Cc1ccc(C)c(OC[C@@H](O)CN2CCCN(c3cccnn3)CC2)c1C ZINC000106068828 543188190 /nfs/dbraw/zinc/18/81/90/543188190.db2.gz GWKBYXUZLWZADU-IBGZPJMESA-N 0 3 370.497 2.354 10 0 FEAEHN CSc1ccccc1NC(=O)CCN1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000106099306 543196509 /nfs/dbraw/zinc/19/65/09/543196509.db2.gz CHRVJMPMPMTOBD-HUUCEWRRSA-N 0 3 351.516 2.124 10 0 FEAEHN CC[C@H]1CN(CCC(=O)NCc2ccccc2Cl)CCN1C[C@@H](C)O ZINC000106102796 543197580 /nfs/dbraw/zinc/19/75/80/543197580.db2.gz IGTAUZBRQXHBIY-WBVHZDCISA-N 0 3 367.921 2.123 10 0 FEAEHN O[C@@H](COc1ccc(Cl)cc1)CN1CCC[C@H](Cn2cncn2)C1 ZINC000106173536 543212863 /nfs/dbraw/zinc/21/28/63/543212863.db2.gz RYWBRHCBGIVTOK-GOEBONIOSA-N 0 3 350.850 2.083 10 0 FEAEHN CC(C)c1nnc(CN2CCN(CCN(C)Cc3ccccc3)CC2)n1C ZINC000108865354 543306263 /nfs/dbraw/zinc/30/62/63/543306263.db2.gz PTAPIUBWIGRCFC-UHFFFAOYSA-N 0 3 370.545 2.188 10 0 FEAEHN COc1cc(-c2nc(CN3CCO[C@H](CN(C)C)C3)cs2)ccc1O ZINC000112345770 543442648 /nfs/dbraw/zinc/44/26/48/543442648.db2.gz JQEPDDPYQZIHDD-OAHLLOKOSA-N 0 3 363.483 2.287 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)Nc1cccc(SC)c1)CC2 ZINC000112551134 543451481 /nfs/dbraw/zinc/45/14/81/543451481.db2.gz AFUWFWBAVLZRHN-GXTWGEPZSA-N 0 3 359.499 2.494 10 0 FEAEHN Cc1ccc(O)c(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)c1 ZINC000114539340 543522798 /nfs/dbraw/zinc/52/27/98/543522798.db2.gz NHASAGKEVWEJGF-UHFFFAOYSA-N 0 3 354.454 2.120 10 0 FEAEHN CC(C)(C)C(=O)NC[C@@H]1CCCN(C[C@@H](O)COCc2ccccc2)C1 ZINC000114563090 543523753 /nfs/dbraw/zinc/52/37/53/543523753.db2.gz MCIVCHVIXROLSL-RBUKOAKNSA-N 0 3 362.514 2.438 10 0 FEAEHN CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC[C@H](Cn2cncn2)C1 ZINC000114803449 543537644 /nfs/dbraw/zinc/53/76/44/543537644.db2.gz CRYRSNCJQMOMDV-MJGOQNOKSA-N 0 3 355.486 2.427 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cc(I)c[nH]1 ZINC000115345806 543561647 /nfs/dbraw/zinc/56/16/47/543561647.db2.gz UOWPCEATMOYELD-LLVKDONJSA-N 0 3 363.243 2.325 10 0 FEAEHN C[C@H](CNC(=O)N[C@H](C)c1nnc2n1CCCC2)N(C)Cc1ccccc1 ZINC000123607985 543772031 /nfs/dbraw/zinc/77/20/31/543772031.db2.gz NFCIJNRLAPPWQS-HZPDHXFCSA-N 0 3 370.501 2.495 10 0 FEAEHN CN(CCNC(=O)N1CCC(Cn2cccn2)CC1)Cc1ccccc1 ZINC000124433720 543820847 /nfs/dbraw/zinc/82/08/47/543820847.db2.gz WJTKMDYARJJJJP-UHFFFAOYSA-N 0 3 355.486 2.437 10 0 FEAEHN CCn1nnnc1-c1cccc(NC(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000124456005 543822687 /nfs/dbraw/zinc/82/26/87/543822687.db2.gz VHSJUFYDYMJSCN-BBRMVZONSA-N 0 3 357.462 2.210 10 0 FEAEHN Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](N(C)C)C2)ccc1Br ZINC000124022652 543796771 /nfs/dbraw/zinc/79/67/71/543796771.db2.gz WNSBEATYCXUTIA-BXUZGUMPSA-N 0 3 361.305 2.328 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000128963347 544083218 /nfs/dbraw/zinc/08/32/18/544083218.db2.gz ZCJPDEAKYYGUBZ-WBVHZDCISA-N 0 3 365.543 2.374 10 0 FEAEHN CCC[C@@H](C(=O)NCCNC(=O)c1cccc(Br)c1)N(C)C ZINC000129511427 544116303 /nfs/dbraw/zinc/11/63/03/544116303.db2.gz OPZVLHRVZCUQFE-AWEZNQCLSA-N 0 3 370.291 2.025 10 0 FEAEHN COc1ccc(Cn2cc(C(=O)N[C@@H]3CN(C(C)C)C[C@@H]3C)cn2)cc1 ZINC000247499279 549345195 /nfs/dbraw/zinc/34/51/95/549345195.db2.gz XLOKSKQPCPPLMM-HNAYVOBHSA-N 0 3 356.470 2.399 10 0 FEAEHN CCc1ncsc1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000133231336 544261466 /nfs/dbraw/zinc/26/14/66/544261466.db2.gz ZRKFVBGHNCPKDK-UHFFFAOYSA-N 0 3 359.499 2.125 10 0 FEAEHN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)NCCn1cc(C)cn1 ZINC000132974600 544250620 /nfs/dbraw/zinc/25/06/20/544250620.db2.gz KXEZJJMIWLAKDT-ZDUSSCGKSA-N 0 3 364.471 2.355 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)[C@@H](C)C1 ZINC000134067988 544293351 /nfs/dbraw/zinc/29/33/51/544293351.db2.gz PWPAFRWGLFLMGJ-LRDDRELGSA-N 0 3 371.478 2.221 10 0 FEAEHN Cc1ccc(N2CCCN(CCC(=O)N(C)c3ccccc3)CC2)nn1 ZINC000135047430 544331836 /nfs/dbraw/zinc/33/18/36/544331836.db2.gz KZLLQVPTDVLUSX-UHFFFAOYSA-N 0 3 353.470 2.350 10 0 FEAEHN CC(C)N(C)c1cccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000150799104 544473722 /nfs/dbraw/zinc/47/37/22/544473722.db2.gz MYTNUCTWEKSEQE-YJBOKZPZSA-N 0 3 360.502 2.315 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000150805603 544474933 /nfs/dbraw/zinc/47/49/33/544474933.db2.gz HPTGDSRVRJSPET-RISCZKNCSA-N 0 3 357.376 2.489 10 0 FEAEHN CN(C)c1ccc(Cl)cc1NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000151397463 544536683 /nfs/dbraw/zinc/53/66/83/544536683.db2.gz BASIAQFWCCUEDN-CQSZACIVSA-N 0 3 354.882 2.374 10 0 FEAEHN CN(C)c1ccc(Cl)cc1NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000151397397 544536962 /nfs/dbraw/zinc/53/69/62/544536962.db2.gz BASIAQFWCCUEDN-AWEZNQCLSA-N 0 3 354.882 2.374 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000247518118 549348869 /nfs/dbraw/zinc/34/88/69/549348869.db2.gz YWUSLIOPHDJMBR-XHDPSFHLSA-N 0 3 373.906 2.170 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)NCC3(C4CC4)CC3)CC2)nc1 ZINC000152305861 544636845 /nfs/dbraw/zinc/63/68/45/544636845.db2.gz TYYQGLYBJICDKR-UHFFFAOYSA-N 0 3 357.502 2.165 10 0 FEAEHN CN(C(=O)NC[C@]1(C)CCCS1)C1CCN(CCn2cccn2)CC1 ZINC000153217051 544748075 /nfs/dbraw/zinc/74/80/75/544748075.db2.gz LTWSCAURQMWURW-SFHVURJKSA-N 0 3 365.547 2.275 10 0 FEAEHN C[C@@H]1CCCCN1CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000153680299 544807394 /nfs/dbraw/zinc/80/73/94/544807394.db2.gz JDGWWANDVQMZGT-LSBZLQRGSA-N 0 3 361.461 2.336 10 0 FEAEHN C[C@H](CNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1)N1CCOCC1 ZINC000153714235 544813056 /nfs/dbraw/zinc/81/30/56/544813056.db2.gz QADZBYGZPGLVSG-NQIIRXRSSA-N 0 3 374.529 2.061 10 0 FEAEHN C[C@@H](CNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1)N1CCOCC1 ZINC000153714119 544813125 /nfs/dbraw/zinc/81/31/25/544813125.db2.gz QADZBYGZPGLVSG-RXVVDRJESA-N 0 3 374.529 2.061 10 0 FEAEHN Cc1cc(C)cc(OC[C@H](O)CN(C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000155044997 544981249 /nfs/dbraw/zinc/98/12/49/544981249.db2.gz AXEXIFSTZNCERQ-RTBURBONSA-N 0 3 370.497 2.434 10 0 FEAEHN COCCN1CCN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)C[C@@H]1C ZINC000155087985 544987547 /nfs/dbraw/zinc/98/75/47/544987547.db2.gz RWPLUIIPNYZIMS-HFSMHLIXSA-N 0 3 362.514 2.094 10 0 FEAEHN CCOc1ccc([C@H](C)NC(=O)CN[C@H](C)[C@@H]2CCCO2)cc1OC ZINC000183157042 327804604 /nfs/dbraw/zinc/80/46/04/327804604.db2.gz AEQNZRPULWCGIG-LZWOXQAQSA-N 0 3 350.459 2.428 10 0 FEAEHN CCCn1cc(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000183217456 327807545 /nfs/dbraw/zinc/80/75/45/327807545.db2.gz QVBVIRGYSYEKQZ-HXUWFJFHSA-N 0 3 370.497 2.469 10 0 FEAEHN CCOC(=O)c1cn(C)nc1NC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000184023886 327846932 /nfs/dbraw/zinc/84/69/32/327846932.db2.gz BKQZSFMODHKSSK-HNNXBMFYSA-N 0 3 359.430 2.021 10 0 FEAEHN CC[C@@H]1CN(Cc2cnn(Cc3ccc(F)cc3)c2)CCN1C[C@@H](C)O ZINC000187210114 328009069 /nfs/dbraw/zinc/00/90/69/328009069.db2.gz HGYSTUNAILCZTG-OXQOHEQNSA-N 0 3 360.477 2.348 10 0 FEAEHN Cc1ccc2c(CCNC(=O)N3CCO[C@@H](CN(C)C)C3)cn(C)c2c1 ZINC000187775077 328045243 /nfs/dbraw/zinc/04/52/43/328045243.db2.gz BIMCJERFNCTBOF-KRWDZBQOSA-N 0 3 358.486 2.001 10 0 FEAEHN C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)CN1C1CC1 ZINC000188337598 328081399 /nfs/dbraw/zinc/08/13/99/328081399.db2.gz IONAYHHPOHCZII-UKTARXLSSA-N 0 3 355.454 2.075 10 0 FEAEHN C[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(-n2ccnc2)c1 ZINC000189895250 328174591 /nfs/dbraw/zinc/17/45/91/328174591.db2.gz DTOUQIWCLUCPEY-RDTXWAMCSA-N 0 3 350.426 2.062 10 0 FEAEHN CCCOc1cccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2CC)c1 ZINC000190355375 328202322 /nfs/dbraw/zinc/20/23/22/328202322.db2.gz YPCVKORTCPJKJZ-IRXDYDNUSA-N 0 3 359.470 2.499 10 0 FEAEHN CC(C)c1nc(N(C)C)nc(N2CC[C@H](CN(C)Cc3cccnc3)C2)n1 ZINC000190450175 328208505 /nfs/dbraw/zinc/20/85/05/328208505.db2.gz AXVQSIQLZJALFQ-QGZVFWFLSA-N 0 3 369.517 2.414 10 0 FEAEHN CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000190516337 328213206 /nfs/dbraw/zinc/21/32/06/328213206.db2.gz KQSIECHYSSFXIF-OAHLLOKOSA-N 0 3 355.523 2.029 10 0 FEAEHN CCCNC(=O)[C@@H](C)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190501154 328211947 /nfs/dbraw/zinc/21/19/47/328211947.db2.gz NBOHVZCHCCRROI-CVEARBPZSA-N 0 3 355.523 2.029 10 0 FEAEHN COc1cccc(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)c1O ZINC000190587678 328218018 /nfs/dbraw/zinc/21/80/18/328218018.db2.gz IGVNTMNYOTWODV-MRXNPFEDSA-N 0 3 355.438 2.390 10 0 FEAEHN COc1cccc(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)c1O ZINC000190587659 328218033 /nfs/dbraw/zinc/21/80/33/328218033.db2.gz IGVNTMNYOTWODV-INIZCTEOSA-N 0 3 355.438 2.390 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc(C(=O)OC)cc1N(C)C ZINC000191209805 328254179 /nfs/dbraw/zinc/25/41/79/328254179.db2.gz VVIBSUVSBKYJKC-HNNXBMFYSA-N 0 3 362.474 2.487 10 0 FEAEHN COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[NH2+][C@@H]2C)cc1Cl ZINC000193455842 328376629 /nfs/dbraw/zinc/37/66/29/328376629.db2.gz VWSYNCHNUUTPRT-KCJUWKMLSA-N 0 3 353.271 2.421 10 0 FEAEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)Nc1ccncn1 ZINC000194195619 328415068 /nfs/dbraw/zinc/41/50/68/328415068.db2.gz LEYQSGYQJFMECM-GOSISDBHSA-N 0 3 369.469 2.386 10 0 FEAEHN CCC[C@@H](N)C(=O)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000236932086 328498616 /nfs/dbraw/zinc/49/86/16/328498616.db2.gz IRWHHARZTQYHMI-GOEBONIOSA-N 0 3 357.458 2.069 10 0 FEAEHN C[C@H](NC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)[C@@H]1CCCO1 ZINC000077816479 325018189 /nfs/dbraw/zinc/01/81/89/325018189.db2.gz PQYXFOHWISWQPX-SXLOBPIMSA-N 0 3 374.529 2.232 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)NC[C@H](C)N1CCOCC1)c1ccccc1 ZINC000078545506 325050967 /nfs/dbraw/zinc/05/09/67/325050967.db2.gz PQNMBTKMDGJVPE-PKOBYXMFSA-N 0 3 362.518 2.089 10 0 FEAEHN CN(C)CCN1CCC(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000079089504 325076224 /nfs/dbraw/zinc/07/62/24/325076224.db2.gz DZUYIFVRJXDQGE-ZFWWWQNUSA-N 0 3 364.456 2.433 10 0 FEAEHN Cc1ccc(C(=O)N2CCN(C(=O)N[C@@H](CC(C)C)CN(C)C)CC2)cc1 ZINC000079495824 325093161 /nfs/dbraw/zinc/09/31/61/325093161.db2.gz ZSPNXZWECLZPIC-IBGZPJMESA-N 0 3 374.529 2.439 10 0 FEAEHN Cc1cc(N2CCC[C@H](NCc3ccc(-n4cccn4)cc3)C2=O)n(C)n1 ZINC000080526824 325135127 /nfs/dbraw/zinc/13/51/27/325135127.db2.gz CSPKUFKBWXHOSN-SFHVURJKSA-N 0 3 364.453 2.199 10 0 FEAEHN Cc1ccccc1CNC(=O)[C@@H](C)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000112551357 325790466 /nfs/dbraw/zinc/79/04/66/325790466.db2.gz GUAVLGOFYKODRM-NVXWUHKLSA-N 0 3 355.486 2.319 10 0 FEAEHN Cc1ccc(-n2nc(C(=O)N3CCO[C@@H](CN(C)C)C3)c3c2CCC3)cc1 ZINC000116791483 326035738 /nfs/dbraw/zinc/03/57/38/326035738.db2.gz OFTSECBWBHMHPP-KRWDZBQOSA-N 0 3 368.481 2.072 10 0 FEAEHN Cc1ccc(-n2nc(C(=O)N3CCO[C@H](CN(C)C)C3)c3c2CCC3)cc1 ZINC000116791481 326035776 /nfs/dbraw/zinc/03/57/76/326035776.db2.gz OFTSECBWBHMHPP-QGZVFWFLSA-N 0 3 368.481 2.072 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2cccc(OCC(F)(F)F)c2)CCO1 ZINC000118813011 326104435 /nfs/dbraw/zinc/10/44/35/326104435.db2.gz MDWPSJYFMGLLMK-CQSZACIVSA-N 0 3 361.364 2.422 10 0 FEAEHN Cc1ccc(N2CC[C@H](N[C@H]3CCc4nc(C(C)C)nn4C3)C2=O)cc1 ZINC000119230131 326140060 /nfs/dbraw/zinc/14/00/60/326140060.db2.gz NJTCEHMUVBAZPE-RDJZCZTQSA-N 0 3 353.470 2.420 10 0 FEAEHN C[C@@H](NC(=O)C[C@@H](N)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000119255383 326142177 /nfs/dbraw/zinc/14/21/77/326142177.db2.gz GGOLPKFSRODEOM-MLGOLLRUSA-N 0 3 364.442 2.497 10 0 FEAEHN CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000119572669 326176507 /nfs/dbraw/zinc/17/65/07/326176507.db2.gz VCMCGSRNCOPJGX-NVXWUHKLSA-N 0 3 370.501 2.495 10 0 FEAEHN CCS[C@@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)C(C)C ZINC000119658604 326185262 /nfs/dbraw/zinc/18/52/62/326185262.db2.gz GRQIRIOUEJPZAR-ZWKOTPCHSA-N 0 3 350.528 2.300 10 0 FEAEHN Cc1ccc(F)c(OCC(=O)NC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000119870174 326206943 /nfs/dbraw/zinc/20/69/43/326206943.db2.gz DCRQEGCHSRZMTQ-SFHVURJKSA-N 0 3 372.440 2.048 10 0 FEAEHN C[C@@H](CNC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)CN1CCN(C)CC1 ZINC000119877261 326207664 /nfs/dbraw/zinc/20/76/64/326207664.db2.gz NVCAPAJBFXYELV-WMZOPIPTSA-N 0 3 374.529 2.472 10 0 FEAEHN CCOc1c(OC)cc(CN2CCN(C[C@@H](C)O)[C@@H](CC)C2)cc1OC ZINC000120755428 326285210 /nfs/dbraw/zinc/28/52/10/326285210.db2.gz TUTZRZCSSGWSQC-WBVHZDCISA-N 0 3 366.502 2.380 10 0 FEAEHN CCOCCN1CCN(Cc2cc(OC)c3c(c2)OCCO3)C[C@@H]1CC ZINC000120991000 326304904 /nfs/dbraw/zinc/30/49/04/326304904.db2.gz TYRDAQQUHCQEJM-KRWDZBQOSA-N 0 3 364.486 2.399 10 0 FEAEHN CCOCCC1(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)CCC1 ZINC000121401941 326335887 /nfs/dbraw/zinc/33/58/87/326335887.db2.gz HUHIDYNKRUTHJG-UHFFFAOYSA-N 0 3 374.529 2.389 10 0 FEAEHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000123317796 326427400 /nfs/dbraw/zinc/42/74/00/326427400.db2.gz TVDNNBUYDVWYHV-DYESRHJHSA-N 0 3 373.497 2.149 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NCCc2csc(-c3ccccc3)n2)CCO1 ZINC000131358580 326573183 /nfs/dbraw/zinc/57/31/83/326573183.db2.gz YNUBVMMOTPVADC-QGZVFWFLSA-N 0 3 374.510 2.325 10 0 FEAEHN C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2F)C[C@@H]1N(C)C ZINC000154536794 326762666 /nfs/dbraw/zinc/76/26/66/326762666.db2.gz NBLIPCAWLCXCDW-CABZTGNLSA-N 0 3 365.268 2.159 10 0 FEAEHN C[C@H](C(=O)N1CCO[C@H](CN(C)C)C1)c1ccc(Br)cc1 ZINC000163044311 327041120 /nfs/dbraw/zinc/04/11/20/327041120.db2.gz RDLLSJYMWWGILU-SWLSCSKDSA-N 0 3 355.276 2.342 10 0 FEAEHN CCOC(=O)C(C)(C)n1cc(NC(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cn1 ZINC000164465486 327070732 /nfs/dbraw/zinc/07/07/32/327070732.db2.gz RHPDJSCLNCLMEG-ZFWWWQNUSA-N 0 3 365.478 2.032 10 0 FEAEHN COc1ccc([C@@H](CNC(=O)N2CC[C@H](N(C)C)C2)N2CCCC2)cc1 ZINC000170862288 327103423 /nfs/dbraw/zinc/10/34/23/327103423.db2.gz MAVINDGWSHYQFR-PKOBYXMFSA-N 0 3 360.502 2.178 10 0 FEAEHN CCOc1ccccc1[C@H](CC(=O)N[C@@H]1CCCN(CC)C1)NC(C)=O ZINC000170877228 327104705 /nfs/dbraw/zinc/10/47/05/327104705.db2.gz AQCKBROGQCIXOC-AEFFLSMTSA-N 0 3 361.486 2.253 10 0 FEAEHN C[C@H](NCCC(=O)Nc1ccc(F)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000171125490 327119627 /nfs/dbraw/zinc/11/96/27/327119627.db2.gz NDDRIRMBWUPKMB-LBPRGKRZSA-N 0 3 365.430 2.153 10 0 FEAEHN Cc1nc(C[C@@H]2CCCN(CCCN3C(=O)c4ccccc4C3=O)C2)no1 ZINC000171407051 327137706 /nfs/dbraw/zinc/13/77/06/327137706.db2.gz WSPCJNVAKTWIRU-HNNXBMFYSA-N 0 3 368.437 2.319 10 0 FEAEHN Cc1nc(C[C@H]2CCCN(C[C@H](O)COCc3cccs3)C2)no1 ZINC000171503710 327142857 /nfs/dbraw/zinc/14/28/57/327142857.db2.gz UMSCGMQGWGCVCT-CABCVRRESA-N 0 3 351.472 2.272 10 0 FEAEHN CN(C(=O)Nc1ccc2c(c1)CCO2)C1CCN(CCn2cccn2)CC1 ZINC000171751824 327159078 /nfs/dbraw/zinc/15/90/78/327159078.db2.gz QSWRWUAJINOOBR-UHFFFAOYSA-N 0 3 369.469 2.446 10 0 FEAEHN Cc1c(Cl)cccc1NC(=O)CCNC(=O)N1CCN2CCC[C@H]2C1 ZINC000171906230 327169306 /nfs/dbraw/zinc/16/93/06/327169306.db2.gz NWHVDYAMKRXVTK-AWEZNQCLSA-N 0 3 364.877 2.467 10 0 FEAEHN COc1ccc(C(C)(C)CNC(=O)N2CCN3CCC[C@@H]3C2)cc1OC ZINC000171907563 327169762 /nfs/dbraw/zinc/16/97/62/327169762.db2.gz BBAUSXDXZRNOSN-MRXNPFEDSA-N 0 3 361.486 2.471 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000173257002 327244545 /nfs/dbraw/zinc/24/45/45/327244545.db2.gz CQFXKOHTKKBJKT-ZWKOTPCHSA-N 0 3 360.502 2.026 10 0 FEAEHN CC[C@H]1CN(C(=O)c2oc3ccccc3c2CN(C)C)CCN1C[C@@H](C)O ZINC000173361821 327252134 /nfs/dbraw/zinc/25/21/34/327252134.db2.gz XFZYQWIQNMAXKQ-CVEARBPZSA-N 0 3 373.497 2.412 10 0 FEAEHN C[C@@H](CNC(=O)NC[C@H](O)CN1CCCCC1)Oc1ccc(Cl)cc1 ZINC000173447382 327257730 /nfs/dbraw/zinc/25/77/30/327257730.db2.gz DGBBDBORFCOLLL-HOCLYGCPSA-N 0 3 369.893 2.253 10 0 FEAEHN C[C@@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)Oc1ccc(Cl)cc1 ZINC000173446498 327257895 /nfs/dbraw/zinc/25/78/95/327257895.db2.gz SIPNSKLEAORQAV-BBRMVZONSA-N 0 3 355.866 2.079 10 0 FEAEHN Cc1nc(C)c(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)o1 ZINC000173467943 327259504 /nfs/dbraw/zinc/25/95/04/327259504.db2.gz FOJDUSNYLZSBBU-SFHVURJKSA-N 0 3 357.454 2.467 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000173829165 327287105 /nfs/dbraw/zinc/28/71/05/327287105.db2.gz AKGVKDLDXQGJLB-NUEKZKHPSA-N 0 3 350.484 2.257 10 0 FEAEHN O=C(NCCCN1CCc2ccccc2C1)N1CCC[C@@H](n2cncn2)C1 ZINC000173853384 327289170 /nfs/dbraw/zinc/28/91/70/327289170.db2.gz BGBSNUZXHFCYSU-LJQANCHMSA-N 0 3 368.485 2.073 10 0 FEAEHN CCc1nccn1[C@H]1CCCN(C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000173954688 327297502 /nfs/dbraw/zinc/29/75/02/327297502.db2.gz FFKFORMMQKJWTH-HNNXBMFYSA-N 0 3 359.478 2.073 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC3CCCC3)c(F)c2)C1 ZINC000174006811 327300956 /nfs/dbraw/zinc/30/09/56/327300956.db2.gz FRYOYPPZFWHMBE-CQSZACIVSA-N 0 3 363.433 2.248 10 0 FEAEHN CC(C)N1CCO[C@H](CN2CCN(c3ccnc4ccccc43)CC2)C1 ZINC000174738817 327347260 /nfs/dbraw/zinc/34/72/60/327347260.db2.gz TWZDPXCIBYVEOO-GOSISDBHSA-N 0 3 354.498 2.466 10 0 FEAEHN CN(C)[C@H](Cc1ccccc1)C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000175672453 327406043 /nfs/dbraw/zinc/40/60/43/327406043.db2.gz OFUJPTPYMAMGMZ-OAQYLSRUSA-N 0 3 366.509 2.335 10 0 FEAEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)Nc1cnn(C)c1 ZINC000176975867 327488040 /nfs/dbraw/zinc/48/80/40/327488040.db2.gz PHOGTZDUPPCIDS-IBGZPJMESA-N 0 3 371.485 2.329 10 0 FEAEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)CCn1cccn1 ZINC000177456369 327523585 /nfs/dbraw/zinc/52/35/85/327523585.db2.gz HMNJBFSMPWMVPW-HXUWFJFHSA-N 0 3 370.497 2.177 10 0 FEAEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)[C@H]1CCCOC1 ZINC000177466234 327524570 /nfs/dbraw/zinc/52/45/70/327524570.db2.gz LSTWASGBOCNJCX-VQTJNVASSA-N 0 3 360.498 2.317 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3cccs3)c2)CCO1 ZINC000177677681 327537241 /nfs/dbraw/zinc/53/72/41/327537241.db2.gz STQNJKLJIBJMIK-INIZCTEOSA-N 0 3 373.478 2.143 10 0 FEAEHN Cc1c([C@H](C)NC(=O)[C@@H](N)C2CCOCC2)cnn1-c1ccc(F)cc1 ZINC000261676189 328810819 /nfs/dbraw/zinc/81/08/19/328810819.db2.gz GQKGYAKQDZVVGG-SGTLLEGYSA-N 0 3 360.433 2.251 10 0 FEAEHN NC1(C(=O)NCC2(c3cccc(Br)c3)CC2)CCOCC1 ZINC000261894495 328827677 /nfs/dbraw/zinc/82/76/77/328827677.db2.gz QYIQISOKGFLTIF-UHFFFAOYSA-N 0 3 353.260 2.105 10 0 FEAEHN NC1(C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)CCOCC1 ZINC000261944756 328830722 /nfs/dbraw/zinc/83/07/22/328830722.db2.gz YCNZXLOWFXEIAX-UHFFFAOYSA-N 0 3 367.449 2.106 10 0 FEAEHN Cc1c(-c2nc([C@@H]3CNCCN3C)no2)cnn1-c1ccc(Cl)cc1 ZINC000263207433 328925217 /nfs/dbraw/zinc/92/52/17/328925217.db2.gz JYGVROVYSNGTBZ-HNNXBMFYSA-N 0 3 358.833 2.460 10 0 FEAEHN COc1cc(/C=C/c2nc([C@H]3CNCCN3C)no2)ccc1OC(F)F ZINC000263228007 328926907 /nfs/dbraw/zinc/92/69/07/328926907.db2.gz NADXRMSRGALJFK-FVOPLDGLSA-N 0 3 366.368 2.426 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2ccc(CNC(=O)C3CCCC3)cc2)n1 ZINC000263233560 328927237 /nfs/dbraw/zinc/92/72/37/328927237.db2.gz NSUXHIZEOCUMCC-QGZVFWFLSA-N 0 3 369.469 2.119 10 0 FEAEHN CC(C)(C)OC(=O)NCc1cccc(-c2nc3c(c(=O)[n-]2)CC[NH2+]C3)c1 ZINC000091692394 518834693 /nfs/dbraw/zinc/83/46/93/518834693.db2.gz RJSDQJDSSUKYKS-UHFFFAOYSA-N 0 3 356.426 2.107 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)C1 ZINC000158888501 545902788 /nfs/dbraw/zinc/90/27/88/545902788.db2.gz WPBPODWRZNSCNW-PVAVHDDUSA-N 0 3 363.527 2.127 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(I)c[nH]2)C1 ZINC000159103126 545922017 /nfs/dbraw/zinc/92/20/17/545922017.db2.gz FWSFCPPKTYBFFO-SKDRFNHKSA-N 0 3 361.227 2.078 10 0 FEAEHN Cc1ccc(O[C@@H](C)C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000159193709 545930403 /nfs/dbraw/zinc/93/04/03/545930403.db2.gz KSDATJBXVOOCRZ-PXNSSMCTSA-N 0 3 368.477 2.298 10 0 FEAEHN CCN(CCNC(=O)N1CCN(c2nc3ccccc3o2)CC1)C1CC1 ZINC000172376670 546251064 /nfs/dbraw/zinc/25/10/64/546251064.db2.gz XZXDCSRFFIHCKR-UHFFFAOYSA-N 0 3 357.458 2.144 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)C1 ZINC000175669092 546330489 /nfs/dbraw/zinc/33/04/89/546330489.db2.gz MEYXBJXUWROPOX-MJGOQNOKSA-N 0 3 372.513 2.322 10 0 FEAEHN CCOC(=O)Cc1csc(NC(=O)N(C)C[C@@H]2CCCN2CC)n1 ZINC000176255115 546424506 /nfs/dbraw/zinc/42/45/06/546424506.db2.gz ONQQGOSHPZLLBG-ZDUSSCGKSA-N 0 3 354.476 2.197 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1 ZINC000176289198 546427540 /nfs/dbraw/zinc/42/75/40/546427540.db2.gz TVABUUQYCBINTN-MRXNPFEDSA-N 0 3 362.474 2.102 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N(C)Cc2ccc([S@](C)=O)cc2)C1 ZINC000176839339 546495372 /nfs/dbraw/zinc/49/53/72/546495372.db2.gz KQJPLRMAKBELOU-DOLBFCBYSA-N 0 3 351.516 2.294 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000176895271 546502466 /nfs/dbraw/zinc/50/24/66/546502466.db2.gz GETZIAJJJSYFCH-ZDUSSCGKSA-N 0 3 353.850 2.230 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CCC(=O)N1CCc2sccc2C1 ZINC000177000775 546521698 /nfs/dbraw/zinc/52/16/98/546521698.db2.gz RJPHEHFDHPAWDU-MRXNPFEDSA-N 0 3 363.527 2.356 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCN(c3cc(F)ccc3F)CC2)C1 ZINC000177437424 546617466 /nfs/dbraw/zinc/61/74/66/546617466.db2.gz HVYFSHMTKVNBGB-OAHLLOKOSA-N 0 3 352.429 2.281 10 0 FEAEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)c1cnns1 ZINC000177466441 546625262 /nfs/dbraw/zinc/62/52/62/546625262.db2.gz IVIVYWSAPOVPNW-MRXNPFEDSA-N 0 3 360.483 2.056 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Cc2cccc(I)c2)C1 ZINC000177541783 546640724 /nfs/dbraw/zinc/64/07/24/546640724.db2.gz OIJCKYTXQBKRSL-CQSZACIVSA-N 0 3 372.250 2.434 10 0 FEAEHN CCCn1ccc2cc(NC(=O)C(=O)N3CCN4CCC[C@H]4C3)ccc21 ZINC000177689123 546668102 /nfs/dbraw/zinc/66/81/02/546668102.db2.gz XBSZYPWCELDPAX-KRWDZBQOSA-N 0 3 354.454 2.296 10 0 FEAEHN CCCCOc1ccc(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)c(C)c1 ZINC000177695885 546668446 /nfs/dbraw/zinc/66/84/46/546668446.db2.gz GPDOIMXDPURPDW-INIZCTEOSA-N 0 3 359.470 2.419 10 0 FEAEHN O=C(Nc1cccc(SC(F)F)c1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177691980 546669333 /nfs/dbraw/zinc/66/93/33/546669333.db2.gz UHTUHHATPDBLNB-LBPRGKRZSA-N 0 3 355.410 2.246 10 0 FEAEHN CN(c1ccccc1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1)C1CCCC1 ZINC000177971615 546714777 /nfs/dbraw/zinc/71/47/77/546714777.db2.gz AMJRJOOCRKPUDD-QGZVFWFLSA-N 0 3 370.497 2.311 10 0 FEAEHN COc1ccc(NC(=O)CN2CCC[C@H]2Cn2ccnc2C)c(OC)c1 ZINC000178291333 546770863 /nfs/dbraw/zinc/77/08/63/546770863.db2.gz GQXFBGYHJCTOCM-HNNXBMFYSA-N 0 3 358.442 2.312 10 0 FEAEHN CCOc1c(OC)cc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)cc1OC ZINC000180234833 547071012 /nfs/dbraw/zinc/07/10/12/547071012.db2.gz WAZOMRSZNDHNAX-DOTOQJQBSA-N 0 3 364.486 2.255 10 0 FEAEHN CC(C)CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000180672419 547155891 /nfs/dbraw/zinc/15/58/91/547155891.db2.gz ZISVTTCGWZTMHZ-LSDHHAIUSA-N 0 3 357.458 2.393 10 0 FEAEHN CCn1nc(C)c(NC(=O)C(=O)N[C@@H](C)CN(C)Cc2ccccc2)c1C ZINC000180893760 547204177 /nfs/dbraw/zinc/20/41/77/547204177.db2.gz SIFVERWNIAHMMW-AWEZNQCLSA-N 0 3 371.485 2.095 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)CCO1 ZINC000181284107 547286518 /nfs/dbraw/zinc/28/65/18/547286518.db2.gz XHJCYJLQRLZZKU-LLVKDONJSA-N 0 3 353.373 2.295 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CCO1 ZINC000181284107 547286523 /nfs/dbraw/zinc/28/65/23/547286523.db2.gz XHJCYJLQRLZZKU-LLVKDONJSA-N 0 3 353.373 2.295 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000181290608 547287808 /nfs/dbraw/zinc/28/78/08/547287808.db2.gz JDQYUFHBTUPKLW-WMZOPIPTSA-N 0 3 355.486 2.440 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCCCNC(=O)C1CCC1 ZINC000181321558 547292883 /nfs/dbraw/zinc/29/28/83/547292883.db2.gz IINSBEYYTAELOJ-INIZCTEOSA-N 0 3 360.502 2.113 10 0 FEAEHN CN(CCN1CCCN(Cc2cnn(C)c2)CC1)Cc1ccc(F)cc1 ZINC000181691054 547360892 /nfs/dbraw/zinc/36/08/92/547360892.db2.gz CHRRHPQVJCGVFA-UHFFFAOYSA-N 0 3 359.493 2.199 10 0 FEAEHN COC(=O)c1ccccc1OCCN1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000182146034 547444714 /nfs/dbraw/zinc/44/47/14/547444714.db2.gz INFQZCLSTIYECL-QGZVFWFLSA-N 0 3 372.469 2.473 10 0 FEAEHN O=C(NC1CCN(C2CC2)CC1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000182275056 547466010 /nfs/dbraw/zinc/46/60/10/547466010.db2.gz VQIRVVSAYAINQH-KRWDZBQOSA-N 0 3 372.517 2.478 10 0 FEAEHN CC(C)c1nnc(CS(=O)(=O)C(C)C(=O)N2[C@H](C)CCC[C@@H]2C)n1C ZINC000182394912 547484880 /nfs/dbraw/zinc/48/48/80/547484880.db2.gz PSPRDNJSVDRPPH-HZSPNIEDSA-N 0 3 370.519 2.031 10 0 FEAEHN CC(C)c1nnc(CS(=O)(=O)C(C)C(=O)N2[C@H](C)CCC[C@H]2C)n1C ZINC000182394949 547485210 /nfs/dbraw/zinc/48/52/10/547485210.db2.gz PSPRDNJSVDRPPH-MGPQQGTHSA-N 0 3 370.519 2.031 10 0 FEAEHN CC1(C)CCc2ccccc2[C@@H]1NCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000183129564 547607200 /nfs/dbraw/zinc/60/72/00/547607200.db2.gz WDMSRTZOLGKIJS-FQEVSTJZSA-N 0 3 369.509 2.371 10 0 FEAEHN CCOc1cc(CN[C@@H](C)[C@@H]2CCCO2)nc2nc(C(F)(F)F)nn21 ZINC000183165056 547613362 /nfs/dbraw/zinc/61/33/62/547613362.db2.gz GSSJDHWNJSMBIK-ONGXEEELSA-N 0 3 359.352 2.199 10 0 FEAEHN Cc1nn(-c2ccccc2)cc1NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000183721050 547706737 /nfs/dbraw/zinc/70/67/37/547706737.db2.gz CREPLUQZLAZKTH-KRWDZBQOSA-N 0 3 357.458 2.149 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc(OC(F)F)n(C)n1 ZINC000186008449 548072873 /nfs/dbraw/zinc/07/28/73/548072873.db2.gz RPYRFDWZFZSFKQ-LBPRGKRZSA-N 0 3 352.385 2.272 10 0 FEAEHN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000186051373 548077910 /nfs/dbraw/zinc/07/79/10/548077910.db2.gz OXWJOEROULLGAD-IRXDYDNUSA-N 0 3 374.510 2.206 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)c2ccccc2F)C1 ZINC000192938337 548376087 /nfs/dbraw/zinc/37/60/87/548376087.db2.gz ZBTFQHMFDPQBTA-MRXNPFEDSA-N 0 3 363.458 2.363 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)C1 ZINC000194334029 548467475 /nfs/dbraw/zinc/46/74/75/548467475.db2.gz JESUJOBIBBVKBZ-SJORKVTESA-N 0 3 360.458 2.410 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(CC(=O)N(C)c2ccccc2)C1 ZINC000195286500 548612383 /nfs/dbraw/zinc/61/23/83/548612383.db2.gz CZKJIGZIQTZMBP-IBGZPJMESA-N 0 3 352.482 2.498 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)[C@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000245463569 548927241 /nfs/dbraw/zinc/92/72/41/548927241.db2.gz HFQDCIWDNFJNGP-HIFRSBDPSA-N 0 3 365.499 2.056 10 0 FEAEHN COCc1nnc(-c2cccc(C(=O)N3C[C@@H]4CCCN4C[C@@H]3C)c2)o1 ZINC000245600239 548954771 /nfs/dbraw/zinc/95/47/71/548954771.db2.gz FIYDXSYNPFDDLR-BBRMVZONSA-N 0 3 356.426 2.192 10 0 FEAEHN CCn1cc(CN2CCCN(C(=O)[C@H](C)N3[C@@H](C)CC[C@@H]3C)CC2)cn1 ZINC000245790756 548994368 /nfs/dbraw/zinc/99/43/68/548994368.db2.gz BBVDMMYXYYYBHY-BZSNNMDCSA-N 0 3 361.534 2.199 10 0 FEAEHN C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)N1CCO[C@@H](CN(C)C)C1 ZINC000245949010 549027343 /nfs/dbraw/zinc/02/73/43/549027343.db2.gz XZWAQLSAKJNQBI-UXLLHSPISA-N 0 3 359.470 2.261 10 0 FEAEHN CCOc1ccccc1[C@@H](CC(=O)N[C@H]1CCCN(CC)C1)NC(C)=O ZINC000245992908 549032309 /nfs/dbraw/zinc/03/23/09/549032309.db2.gz AQCKBROGQCIXOC-FUHWJXTLSA-N 0 3 361.486 2.253 10 0 FEAEHN C[C@@H]1CN(Cc2ccc(CNC(=O)N3CC[C@@H](N(C)C)C3)cc2)C[C@H](C)O1 ZINC000245996935 549033129 /nfs/dbraw/zinc/03/31/29/549033129.db2.gz CEXMRVQVWBLRMD-FUHIMQAGSA-N 0 3 374.529 2.141 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](N[C@@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000246154194 549065219 /nfs/dbraw/zinc/06/52/19/549065219.db2.gz CNFHNBNPEXFDOH-WKPIXPDZSA-N 0 3 372.282 2.433 10 0 FEAEHN C[C@@H]1CN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)C[C@H]1N1CCOCC1 ZINC000246169146 549068907 /nfs/dbraw/zinc/06/89/07/549068907.db2.gz ROJXYANVYUNTDR-HGIWEUDGSA-N 0 3 374.525 2.094 10 0 FEAEHN COc1cccc(COC[C@H](O)CN2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000246305669 549101386 /nfs/dbraw/zinc/10/13/86/549101386.db2.gz JLGGUQLNNVYLFY-RTBURBONSA-N 0 3 359.470 2.415 10 0 FEAEHN C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCO[C@@H](CN(C)C)C1 ZINC000246697980 549190829 /nfs/dbraw/zinc/19/08/29/549190829.db2.gz JQGSOOVCFKVJGY-KBPBESRZSA-N 0 3 371.884 2.088 10 0 FEAEHN O[C@H](Cc1ccccc1C(F)(F)F)CN1CC[C@@H](N2CCOCC2)C1 ZINC000246770143 549207697 /nfs/dbraw/zinc/20/76/97/549207697.db2.gz RFIZHALBXVGONK-HZPDHXFCSA-N 0 3 358.404 2.015 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000246778539 549210699 /nfs/dbraw/zinc/21/06/99/549210699.db2.gz BCWJXIHTJHELKH-IPYPFGDCSA-N 0 3 363.408 2.013 10 0 FEAEHN CC[C@@H]1CN(C(=O)NC[C@H](c2cccs2)N(C)C)CCN1CCOC ZINC000246972110 549254348 /nfs/dbraw/zinc/25/43/48/549254348.db2.gz DXAJSNXCPNLEST-HZPDHXFCSA-N 0 3 368.547 2.103 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000247070413 549276365 /nfs/dbraw/zinc/27/63/65/549276365.db2.gz OMPIYHLRHGOSGQ-CABCVRRESA-N 0 3 358.408 2.457 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000247178677 549294821 /nfs/dbraw/zinc/29/48/21/549294821.db2.gz KYGYGIMFWBPENW-AYBZRNKSSA-N 0 3 373.472 2.373 10 0 FEAEHN CCCCO[C@@H]1C[C@H](NC(=O)NC[C@@H](O)CN2CCCCC2)C1(C)C ZINC000247296232 549312825 /nfs/dbraw/zinc/31/28/25/549312825.db2.gz HSJQYFSBJOEFOZ-IXDOHACOSA-N 0 3 355.523 2.116 10 0 FEAEHN CC[C@H]1CN(Cc2cccc(C(=O)NCC(C)C)c2)CCN1C[C@H](C)O ZINC000247578853 549361179 /nfs/dbraw/zinc/36/11/79/549361179.db2.gz IETYCCGVSVCOOR-PXNSSMCTSA-N 0 3 361.530 2.349 10 0 FEAEHN CC(=O)Nc1ccc(OC[C@H](O)CN2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000247815022 549384837 /nfs/dbraw/zinc/38/48/37/549384837.db2.gz VZOLOIUFFUEMSJ-RTBURBONSA-N 0 3 372.469 2.227 10 0 FEAEHN O[C@@H](COc1ccc(Br)cc1)CN1CCN2CCCC[C@H]2C1 ZINC000248339842 549420812 /nfs/dbraw/zinc/42/08/12/549420812.db2.gz IJJWJLAKPYSKHD-JKSUJKDBSA-N 0 3 369.303 2.359 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000248428725 549434865 /nfs/dbraw/zinc/43/48/65/549434865.db2.gz PGZOODNJTGAMPC-RYUDHWBXSA-N 0 3 363.405 2.348 10 0 FEAEHN CC[C@@H]1CN(CC2CCN(C(=O)C(C)(C)C)CC2)CCN1C[C@H](C)O ZINC000248589251 549463314 /nfs/dbraw/zinc/46/33/14/549463314.db2.gz QVMFDSGOWPAFGA-FUHWJXTLSA-N 0 3 353.551 2.048 10 0 FEAEHN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[C@@H](CN(C)Cc3cccnc3)C2)C1 ZINC000248651345 549477715 /nfs/dbraw/zinc/47/77/15/549477715.db2.gz MVBRSTBTHVCCAN-GGPKGHCWSA-N 0 3 358.530 2.340 10 0 FEAEHN CN(CCN(C)C1CC1)C[C@@H](O)COc1cccc(Br)c1 ZINC000248730739 549491538 /nfs/dbraw/zinc/49/15/38/549491538.db2.gz QBDGFTHVDQAEMR-OAHLLOKOSA-N 0 3 357.292 2.215 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000248877936 549520346 /nfs/dbraw/zinc/52/03/46/549520346.db2.gz CRKGGVIJVYNWMP-OLZOCXBDSA-N 0 3 372.512 2.090 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(OC)cc1OCCOC ZINC000249011207 549538838 /nfs/dbraw/zinc/53/88/38/549538838.db2.gz IRGTZRWRGWHOTL-HOTGVXAUSA-N 0 3 362.470 2.419 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249109580 549553491 /nfs/dbraw/zinc/55/34/91/549553491.db2.gz MICDYGKWXVPWOO-IPYPFGDCSA-N 0 3 351.413 2.254 10 0 FEAEHN CC(C)OCc1cccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1 ZINC000249175090 549564805 /nfs/dbraw/zinc/56/48/05/549564805.db2.gz LYVDFLMWRJBNPK-YJBOKZPZSA-N 0 3 359.470 2.245 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000249265012 549574753 /nfs/dbraw/zinc/57/47/53/549574753.db2.gz ZKUGTTQVCNKEHC-PWSUYJOCSA-N 0 3 371.359 2.061 10 0 FEAEHN Cc1cnn([C@H]2CCCN(CC(=O)NC[C@H](c3ccccc3)N(C)C)C2)c1 ZINC000249379939 549585611 /nfs/dbraw/zinc/58/56/11/549585611.db2.gz ZPVKDPDJZATEPC-VQTJNVASSA-N 0 3 369.513 2.248 10 0 FEAEHN CCN(C[C@@H]1CCN(C(=O)N[C@H]2CCCN(CC)C2)C1)CC(F)(F)F ZINC000249489033 549596322 /nfs/dbraw/zinc/59/63/22/549596322.db2.gz YYRALWMXBWRQDJ-GJZGRUSLSA-N 0 3 364.456 2.386 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)C1 ZINC000250673046 549643789 /nfs/dbraw/zinc/64/37/89/549643789.db2.gz YZCQBMPVGZXVOT-QZTJIDSGSA-N 0 3 374.485 2.088 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC000253206046 549680622 /nfs/dbraw/zinc/68/06/22/549680622.db2.gz YSXIOWOFTXDTFY-SJORKVTESA-N 0 3 353.470 2.205 10 0 FEAEHN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1(N)CCOCC1 ZINC000261659588 549739857 /nfs/dbraw/zinc/73/98/57/549739857.db2.gz AZMQMKFIAFDPMG-UHFFFAOYSA-N 0 3 373.375 2.000 10 0 FEAEHN C[C@@](N)(C(=O)N1CCN2CCCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000261761043 549752081 /nfs/dbraw/zinc/75/20/81/549752081.db2.gz NLWIURXQSRQPFK-WBVHZDCISA-N 0 3 366.303 2.320 10 0 FEAEHN NC1(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)CCOCC1 ZINC000261817780 549758334 /nfs/dbraw/zinc/75/83/34/549758334.db2.gz KAUVEACWHNCMOC-UHFFFAOYSA-N 0 3 355.442 2.118 10 0 FEAEHN NC(=O)c1ccccc1Oc1ccc(NC(=O)[C@H](N)C2CCOCC2)cc1 ZINC000261913412 549769674 /nfs/dbraw/zinc/76/96/74/549769674.db2.gz XWEFBLNBGRQVGD-GOSISDBHSA-N 0 3 369.421 2.270 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)[C@H](N)COC)c1ccc(C(F)(F)F)cc1 ZINC000262171538 549795218 /nfs/dbraw/zinc/79/52/18/549795218.db2.gz AUZDGYQNZNCMBX-CABCVRRESA-N 0 3 361.408 2.178 10 0 FEAEHN C[C@H]1[NH2+]CCC[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000262738451 549844314 /nfs/dbraw/zinc/84/43/14/549844314.db2.gz BFQHWUHMHMGRCK-SCZZXKLOSA-N 0 3 351.241 2.007 10 0 FEAEHN CC(C)c1nc(-c2nc([C@H]3CNCCN3C)no2)nn1-c1ccccc1F ZINC000263278824 549891266 /nfs/dbraw/zinc/89/12/66/549891266.db2.gz TYLNNEOACUBXBG-CQSZACIVSA-N 0 3 371.420 2.156 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2cc(C3CC3)nn2-c2ccccc2)n1 ZINC000263287607 549892415 /nfs/dbraw/zinc/89/24/15/549892415.db2.gz VGOOPLNONAICJJ-QGZVFWFLSA-N 0 3 350.426 2.376 10 0 FEAEHN CC(C)Oc1ccc2nccc(N3CCO[C@@H](C[N@H+](C)CC(=O)[O-])C3)c2c1 ZINC000263396567 549899491 /nfs/dbraw/zinc/89/94/91/549899491.db2.gz HVCMIXGFFGGDHK-INIZCTEOSA-N 0 3 373.453 2.244 10 0 FEAEHN CC(C)Oc1ccc2nccc(N3CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C3)c2c1 ZINC000263396567 549899495 /nfs/dbraw/zinc/89/94/95/549899495.db2.gz HVCMIXGFFGGDHK-INIZCTEOSA-N 0 3 373.453 2.244 10 0 FEAEHN COCc1noc(CN2CCN(c3ccnc4c(C)cccc34)CC2)n1 ZINC000302549407 553720769 /nfs/dbraw/zinc/72/07/69/553720769.db2.gz PVKUFXMHNYRSSO-UHFFFAOYSA-N 0 3 353.426 2.395 10 0 FEAEHN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000375466354 558032085 /nfs/dbraw/zinc/03/20/85/558032085.db2.gz UGAQSDKXLVWGDM-QTVCLEQKSA-N 0 3 352.519 2.275 10 0 FEAEHN CNc1nc(C)cc(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)n1 ZINC000379693712 558602703 /nfs/dbraw/zinc/60/27/03/558602703.db2.gz MDZOZIKZZJSSAD-KRWDZBQOSA-N 0 3 353.470 2.611 10 0 FEAEHN COCCN1[C@H](C)CN(C[C@H](O)COCc2ccc(Cl)cc2)C[C@@H]1C ZINC000129609223 672064845 /nfs/dbraw/zinc/06/48/45/672064845.db2.gz YOYZZCCSUCZEFG-FCEWJHQRSA-N 0 3 370.921 2.259 10 0 FEAEHN Cc1ccsc1-c1nn(CN2CCO[C@@H](CN(C)C)C2)c(=S)o1 ZINC000153009706 672192295 /nfs/dbraw/zinc/19/22/95/672192295.db2.gz GTIHGLCYHLQRNI-LBPRGKRZSA-N 0 3 354.501 2.462 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Nc2cccc(C[S@@](=O)CCOC)c2)C1 ZINC000172111711 672339432 /nfs/dbraw/zinc/33/94/32/672339432.db2.gz GYAHMHQXJSBMAY-GKVSMKOHSA-N 0 3 367.515 2.188 10 0 FEAEHN CC[C@@H](O)CN1CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000174086098 672357609 /nfs/dbraw/zinc/35/76/09/672357609.db2.gz OYTHWKCMYJZEMD-QGZVFWFLSA-N 0 3 355.523 2.022 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000177071410 672379760 /nfs/dbraw/zinc/37/97/60/672379760.db2.gz UJALLRQRWLBFEL-AWEZNQCLSA-N 0 3 366.893 2.287 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000236905658 672804516 /nfs/dbraw/zinc/80/45/16/672804516.db2.gz RCDQLLHDKJRNPW-SUMWQHHRSA-N 0 3 367.515 2.482 10 0 FEAEHN Cn1cc(O[C@@H]2COC[C@@H]2NCc2ccc(CC(F)(F)F)cc2)cn1 ZINC000877654371 686430561 /nfs/dbraw/zinc/43/05/61/686430561.db2.gz AZSXQUBEJAJKJP-JKSUJKDBSA-N 0 3 355.360 2.461 10 0 FEAEHN CC(C)C[C@H](NC(=O)[C@@H](NC[C@H](C)O)C(C)C)C(=O)Nc1ccccc1 ZINC000004899810 539395782 /nfs/dbraw/zinc/39/57/82/539395782.db2.gz RRWGVFNMYYPEKW-SZMVWBNQSA-N 0 3 363.502 2.151 10 0 FEAEHN C[C@H]1CCc2nc(CNC[C@@H]3CC(=O)N(C)[C@H]3c3cnn(C)c3)sc2C1 ZINC000328625484 210115705 /nfs/dbraw/zinc/11/57/05/210115705.db2.gz KUNJNLQRTLNMNG-WTOJCKNJSA-N 0 3 373.526 2.311 10 0 FEAEHN O=C(NCCN1CCCC1)c1cc(CN2CCc3ccccc3C2)on1 ZINC000011880082 210101750 /nfs/dbraw/zinc/10/17/50/210101750.db2.gz MEBOCFDTRBPNBU-UHFFFAOYSA-N 0 3 354.454 2.059 10 0 FEAEHN Cc1cc2nc(C)c(=O)n(CC(=O)NCCN3CCCC[C@@H]3C)c2cc1C ZINC000033254815 539973324 /nfs/dbraw/zinc/97/33/24/539973324.db2.gz XKLSUGRMYJVGJN-INIZCTEOSA-N 0 3 370.497 2.312 10 0 FEAEHN CCC(CC)C(=O)N1CCC(NC(=O)N[C@H]2CCCN(CC)C2)CC1 ZINC000052556092 540472930 /nfs/dbraw/zinc/47/29/30/540472930.db2.gz JJSBKLIBISYVRL-KRWDZBQOSA-N 0 3 352.523 2.197 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)C1 ZINC000052594504 540476708 /nfs/dbraw/zinc/47/67/08/540476708.db2.gz JJHMCMKUMDQVLM-IBGZPJMESA-N 0 3 374.529 2.397 10 0 FEAEHN CCc1nnc(SCC(=O)N[C@H](C)CN2CCc3ccccc3C2)[nH]1 ZINC000055198405 540635054 /nfs/dbraw/zinc/63/50/54/540635054.db2.gz SPGXGALXIXRUHL-CYBMUJFWSA-N 0 3 359.499 2.022 10 0 FEAEHN CCc1nc(SCC(=O)N[C@H](C)CN2CCc3ccccc3C2)n[nH]1 ZINC000055198405 540635059 /nfs/dbraw/zinc/63/50/59/540635059.db2.gz SPGXGALXIXRUHL-CYBMUJFWSA-N 0 3 359.499 2.022 10 0 FEAEHN CCc1n[nH]c(SCC(=O)N[C@H](C)CN2CCc3ccccc3C2)n1 ZINC000055198405 540635063 /nfs/dbraw/zinc/63/50/63/540635063.db2.gz SPGXGALXIXRUHL-CYBMUJFWSA-N 0 3 359.499 2.022 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCN([C@H](C)c3cccnc3)CC2)C1 ZINC000247373084 549326225 /nfs/dbraw/zinc/32/62/25/549326225.db2.gz PGRXBLFOURCIPM-ZHALLVOQSA-N 0 3 359.518 2.199 10 0 FEAEHN Cc1ccc([C@H](C)NC(=O)NCc2cccc(C(=O)NCCN(C)C)c2)o1 ZINC000067085736 541416145 /nfs/dbraw/zinc/41/61/45/541416145.db2.gz XELCCAZKUKEVOH-HNNXBMFYSA-N 0 3 372.469 2.440 10 0 FEAEHN CC(C)[C@@H](C)NC(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000067320709 541444201 /nfs/dbraw/zinc/44/42/01/541444201.db2.gz ALAROKQJWLUHQZ-MRXNPFEDSA-N 0 3 372.513 2.318 10 0 FEAEHN CCCN1Cc2cccc(NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C)c2C1 ZINC000067531363 541476030 /nfs/dbraw/zinc/47/60/30/541476030.db2.gz DNUUTWCSZBDMAO-KRWDZBQOSA-N 0 3 374.529 2.443 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 ZINC000067606868 541488125 /nfs/dbraw/zinc/48/81/25/541488125.db2.gz YZCQBMPVGZXVOT-ROUUACIJSA-N 0 3 374.485 2.088 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000247411590 549330062 /nfs/dbraw/zinc/33/00/62/549330062.db2.gz QDVKKGVIHFMXMS-BZUAXINKSA-N 0 3 361.511 2.438 10 0 FEAEHN CC(C)OCCOC[C@H](O)CNCc1ccc(Br)s1 ZINC000037984909 211337858 /nfs/dbraw/zinc/33/78/58/211337858.db2.gz FKNBJDKRUQUFFV-LLVKDONJSA-N 0 3 352.294 2.403 10 0 FEAEHN CCCC[C@H]1C(=O)N(C)CCN1c1ncnc2sc3c(c21)CCNC3 ZINC000065494084 221224999 /nfs/dbraw/zinc/22/49/99/221224999.db2.gz HOKJNHWXMDXUOU-ZDUSSCGKSA-N 0 3 359.499 2.174 10 0 FEAEHN O=C(NC1CC1)c1ccnc(N2CCN(C3CCCCC3)[C@H](CCO)C2)c1 ZINC000072476092 136149252 /nfs/dbraw/zinc/14/92/52/136149252.db2.gz ASSBBQRUAYLBRQ-LJQANCHMSA-N 0 3 372.513 2.180 10 0 FEAEHN COc1cc(OC)c([C@]23CCN(C)C[C@H]2O3)c(OC)c1Br ZINC000095080376 542956207 /nfs/dbraw/zinc/95/62/07/542956207.db2.gz WKPBNWSHAJYKOE-ABAIWWIYSA-N 0 3 358.232 2.405 10 0 FEAEHN CCCC(=O)N[C@@H]1CCCN(CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000101564228 543033457 /nfs/dbraw/zinc/03/34/57/543033457.db2.gz LYTAEIXTQHCWRZ-MRXNPFEDSA-N 0 3 360.458 2.106 10 0 FEAEHN CCn1cnnc1[C@H]1CCCN(CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000103476748 543110041 /nfs/dbraw/zinc/11/00/41/543110041.db2.gz LTVGPRHTXYKBCA-HNNXBMFYSA-N 0 3 370.457 2.216 10 0 FEAEHN COCCN1CCN(CCC(=O)Nc2ccccc2SC)C[C@@H]1C ZINC000106108337 543200043 /nfs/dbraw/zinc/20/00/43/543200043.db2.gz BILIEUSYEFOIPU-HNNXBMFYSA-N 0 3 351.516 2.390 10 0 FEAEHN C[C@@H](C1CC1)N(C(=O)CN(C)C1CCN(CCn2cccn2)CC1)C1CC1 ZINC000106128749 543206016 /nfs/dbraw/zinc/20/60/16/543206016.db2.gz CRWHMMAPHISZIO-KRWDZBQOSA-N 0 3 373.545 2.069 10 0 FEAEHN CC[C@H]1CN(C[C@H](O)COc2ccc(C)cc2C)CCN1CCOC ZINC000106113032 543200737 /nfs/dbraw/zinc/20/07/37/543200737.db2.gz ISFJPIBWGWIYBE-OALUTQOASA-N 0 3 350.503 2.086 10 0 FEAEHN Cc1cccc(OCCN2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)c1 ZINC000106123749 543203096 /nfs/dbraw/zinc/20/30/96/543203096.db2.gz REENLJMPJMTNBI-NRFANRHFSA-N 0 3 361.530 2.101 10 0 FEAEHN CCn1c(C)nnc1CN(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000106127185 543204272 /nfs/dbraw/zinc/20/42/72/543204272.db2.gz ZZEWODUMMULFTQ-HXUWFJFHSA-N 0 3 371.529 2.484 10 0 FEAEHN Cn1ccnc1CC1CCN(CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000106165092 543211186 /nfs/dbraw/zinc/21/11/86/543211186.db2.gz MWGBQVJQCULYMX-SFHVURJKSA-N 0 3 368.481 2.315 10 0 FEAEHN O[C@H](COc1ccc(Cl)cc1)CN1CCC[C@H](Cn2cncn2)C1 ZINC000106173539 543212827 /nfs/dbraw/zinc/21/28/27/543212827.db2.gz RYWBRHCBGIVTOK-HOCLYGCPSA-N 0 3 350.850 2.083 10 0 FEAEHN Cn1cc(CN2CCCN(CCC(=O)NCC3CCCCC3)CC2)cn1 ZINC000109005629 543310549 /nfs/dbraw/zinc/31/05/49/543310549.db2.gz GWMYDWIKXOYKIE-UHFFFAOYSA-N 0 3 361.534 2.014 10 0 FEAEHN COc1cc(CN[C@@H]2CCCN(c3cccnn3)C2)cc2c1OCCO2 ZINC000109070525 543313151 /nfs/dbraw/zinc/31/31/51/543313151.db2.gz RKGYQFSBPVFHJM-OAHLLOKOSA-N 0 3 356.426 2.015 10 0 FEAEHN CCn1cc(CN2CCCN(C(=O)[C@H](C)N3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000109661470 543333576 /nfs/dbraw/zinc/33/35/76/543333576.db2.gz BBVDMMYXYYYBHY-KSZLIROESA-N 0 3 361.534 2.199 10 0 FEAEHN C[C@@H](N[C@H]1CCc2ncnn2C1)C(=O)Nc1ccccc1C(F)(F)F ZINC000112550477 543451437 /nfs/dbraw/zinc/45/14/37/543451437.db2.gz SYCGRNVFOHNZMD-MNOVXSKESA-N 0 3 353.348 2.229 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@H](C)C(=O)NCc1ccccc1F)CC2 ZINC000113442642 543488135 /nfs/dbraw/zinc/48/81/35/543488135.db2.gz NKWFECQASFAYNF-HIFRSBDPSA-N 0 3 359.449 2.150 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)COc2ccccc2Cc2ccccc2)CCO1 ZINC000116790559 543615927 /nfs/dbraw/zinc/61/59/27/543615927.db2.gz BMORRIRTVZBBIY-FQEVSTJZSA-N 0 3 368.477 2.445 10 0 FEAEHN Cc1c(C)c(C)c(S(=O)(=O)N2CCO[C@H](CN(C)C)C2)c(C)c1C ZINC000116900945 543619316 /nfs/dbraw/zinc/61/93/16/543619316.db2.gz JGGMZQYPHVWBCS-QGZVFWFLSA-N 0 3 354.516 2.180 10 0 FEAEHN CSCCCCC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000122758786 543722312 /nfs/dbraw/zinc/72/23/12/543722312.db2.gz QPYCNTWVFFZSNK-UHFFFAOYSA-N 0 3 350.532 2.325 10 0 FEAEHN Cc1ccc(OC(F)F)c(CNC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000125431970 543881388 /nfs/dbraw/zinc/88/13/88/543881388.db2.gz WYCVTJKORBSRMO-HNNXBMFYSA-N 0 3 371.428 2.242 10 0 FEAEHN CN(C)C[C@H]1CN(Cc2csc(-c3ccc4c(c3)OCO4)n2)CCO1 ZINC000128084789 544031875 /nfs/dbraw/zinc/03/18/75/544031875.db2.gz BDZMZTKDOQQYBS-HNNXBMFYSA-N 0 3 361.467 2.301 10 0 FEAEHN Cc1cc(I)ccc1NC(=O)C1(N)CCOCC1 ZINC000127784937 544013620 /nfs/dbraw/zinc/01/36/20/544013620.db2.gz YAHGIIYANUWKRI-UHFFFAOYSA-N 0 3 360.195 2.046 10 0 FEAEHN COc1cc(CN2CCO[C@@H](CN(C)C)C2)ccc1OCc1ccncc1 ZINC000128059093 544030018 /nfs/dbraw/zinc/03/00/18/544030018.db2.gz RTHGUTWATKEAFN-IBGZPJMESA-N 0 3 371.481 2.432 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cncc(I)c2)C1 ZINC000128244060 544040511 /nfs/dbraw/zinc/04/05/11/544040511.db2.gz CBEIWNBGVIYSML-MFKMUULPSA-N 0 3 373.238 2.145 10 0 FEAEHN CCc1nnc([C@@H]2CN(C(=O)Nc3cccc(CN(C)C)c3)CCO2)[nH]1 ZINC000130024416 544135667 /nfs/dbraw/zinc/13/56/67/544135667.db2.gz ORACJTHCEMPYGI-HNNXBMFYSA-N 0 3 358.446 2.034 10 0 FEAEHN COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNCc2ccncc2F)COC1 ZINC000096112758 222029141 /nfs/dbraw/zinc/02/91/41/222029141.db2.gz YYICPDRRFIYVNX-AWEZNQCLSA-N 0 3 370.384 2.218 10 0 FEAEHN CS(=O)(=O)c1ccccc1NC1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000132947090 544249345 /nfs/dbraw/zinc/24/93/45/544249345.db2.gz ZJAKNXCJULGKBV-DLBZAZTESA-N 0 3 352.500 2.270 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)N2CCCN(Cc3cscn3)CC2)[C@@H](C)C1 ZINC000132454570 544231687 /nfs/dbraw/zinc/23/16/87/544231687.db2.gz JARCEMBVCPBRHE-RDJZCZTQSA-N 0 3 365.547 2.089 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000152298299 544635599 /nfs/dbraw/zinc/63/55/99/544635599.db2.gz XXDCQDJXXYYJMA-IRXDYDNUSA-N 0 3 362.522 2.063 10 0 FEAEHN CC[C@H]1CN(Cc2ccn(-c3c(F)cccc3F)n2)CCN1C[C@@H](C)O ZINC000152605919 544673378 /nfs/dbraw/zinc/67/33/78/544673378.db2.gz JFXQPJVTYZPSBA-ZBFHGGJFSA-N 0 3 364.440 2.428 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000247523638 549350255 /nfs/dbraw/zinc/35/02/55/549350255.db2.gz WYGPHFBUPFDXRT-LBKNJMOBSA-N 0 3 355.482 2.291 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2cccc(-c3ncco3)c2)[C@@H](C)C1 ZINC000153712449 544812982 /nfs/dbraw/zinc/81/29/82/544812982.db2.gz PHRFRPHMVCLOHR-BBRMVZONSA-N 0 3 356.426 2.125 10 0 FEAEHN CC[C@@H]1CN(CCCc2nc(-c3ccccc3)no2)CCN1C[C@H](C)O ZINC000247534712 549351074 /nfs/dbraw/zinc/35/10/74/549351074.db2.gz CIYOFTJWPOMVLE-FUHWJXTLSA-N 0 3 358.486 2.446 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)c2c(F)cccc2I)C1 ZINC000154434239 544906675 /nfs/dbraw/zinc/90/66/75/544906675.db2.gz XNUGGOCNPBBXEN-SECBINFHSA-N 0 3 362.186 2.206 10 0 FEAEHN COC(=O)[C@H](c1ccccc1F)N(C)C1CCN(CCn2cccn2)CC1 ZINC000155111551 544990458 /nfs/dbraw/zinc/99/04/58/544990458.db2.gz UKJGNOJTVOJXBM-IBGZPJMESA-N 0 3 374.460 2.333 10 0 FEAEHN CC(C)c1nnc2n1C[C@@H](NC(=O)N[C@@H](CN(C)C)c1ccccc1)CC2 ZINC000181414605 327729229 /nfs/dbraw/zinc/72/92/29/327729229.db2.gz PIISSIMDOYQMEN-IRXDYDNUSA-N 0 3 370.501 2.318 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NCc2ccccc2N2CCCCC2)CCO1 ZINC000183698202 327830925 /nfs/dbraw/zinc/83/09/25/327830925.db2.gz UNJXJYDYCXKLAR-SFHVURJKSA-N 0 3 360.502 2.149 10 0 FEAEHN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000186051357 327945032 /nfs/dbraw/zinc/94/50/32/327945032.db2.gz OXWJOEROULLGAD-SJORKVTESA-N 0 3 374.510 2.206 10 0 FEAEHN C[C@H](NC(C)(C)CNC(=O)N1CC(NC(=O)C2CCC2)C1)c1ccccc1 ZINC000188853485 328114246 /nfs/dbraw/zinc/11/42/46/328114246.db2.gz YIJTYQZOJSIXDM-HNNXBMFYSA-N 0 3 372.513 2.426 10 0 FEAEHN O=C(CCN1CCC(Nc2cccnn2)CC1)N1CCc2ccccc2C1 ZINC000189007134 328122933 /nfs/dbraw/zinc/12/29/33/328122933.db2.gz VQQHBTIVZULAID-UHFFFAOYSA-N 0 3 365.481 2.328 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc2c(c1)CCN2C(=O)COC ZINC000189521215 328152793 /nfs/dbraw/zinc/15/27/93/328152793.db2.gz AWQLQOFASDXZDB-KRWDZBQOSA-N 0 3 374.485 2.170 10 0 FEAEHN COC(=O)[C@H](CC(C)C)NC(=O)CN[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000189898955 328174713 /nfs/dbraw/zinc/17/47/13/328174713.db2.gz WPVSGCBVUXGQCY-QAPCUYQASA-N 0 3 372.469 2.227 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000190108070 328188715 /nfs/dbraw/zinc/18/87/15/328188715.db2.gz PCSQXTOVZBHKCP-DZGCQCFKSA-N 0 3 370.478 2.444 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1N1CCCC1 ZINC000190347657 328201731 /nfs/dbraw/zinc/20/17/31/328201731.db2.gz KEZMHWJOQJJCFH-DLBZAZTESA-N 0 3 370.497 2.311 10 0 FEAEHN CN(C)C(=O)c1ccc(CN2CC[C@H](CN(C)Cc3cccnc3)C2)[nH]1 ZINC000190486500 328210742 /nfs/dbraw/zinc/21/07/42/328210742.db2.gz ZIELUKYWBBMTPM-QGZVFWFLSA-N 0 3 355.486 2.065 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)Cc2c[nH]c3ncccc23)C1 ZINC000190581797 328217697 /nfs/dbraw/zinc/21/76/97/328217697.db2.gz OXDSWHOVSQHPHL-KRWDZBQOSA-N 0 3 363.465 2.481 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2nc3ccccn3n2)C1 ZINC000190590206 328218421 /nfs/dbraw/zinc/21/84/21/328218421.db2.gz HYIBMUSJNAJXMT-INIZCTEOSA-N 0 3 365.441 2.110 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NCCc2nccs2)C1 ZINC000190703596 328226029 /nfs/dbraw/zinc/22/60/29/328226029.db2.gz JIFNPAXYWILNAD-MRXNPFEDSA-N 0 3 359.499 2.244 10 0 FEAEHN CC[C@@H](COC)NC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000190716334 328227122 /nfs/dbraw/zinc/22/71/22/328227122.db2.gz ZHLHDPBMZYYRFT-CABCVRRESA-N 0 3 354.520 2.340 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)NCCOC(C)C)C1 ZINC000190733686 328228833 /nfs/dbraw/zinc/22/88/33/328228833.db2.gz FKQWNGYEGCYNAV-OAHLLOKOSA-N 0 3 354.520 2.340 10 0 FEAEHN CC(C)N1CCC[C@H](N2CCC(N(C)CC(=O)OC(C)(C)C)CC2)C1=O ZINC000191979975 328291645 /nfs/dbraw/zinc/29/16/45/328291645.db2.gz RVMDLTDOCIGVJR-KRWDZBQOSA-N 0 3 367.534 2.124 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2cncc(Cl)n2)C1 ZINC000192386155 328317149 /nfs/dbraw/zinc/31/71/49/328317149.db2.gz WUCXJZIUHBEXSX-LBPRGKRZSA-N 0 3 365.890 2.489 10 0 FEAEHN Cc1c(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cnn1C1CCCC1 ZINC000193536610 328380532 /nfs/dbraw/zinc/38/05/32/328380532.db2.gz FLNUFILFTXSQTJ-GUYCJALGSA-N 0 3 361.490 2.090 10 0 FEAEHN C[C@H](CC(=O)Nc1ccc(OC2CCN(C)CC2)nc1)N1CCCCC1=O ZINC000193678199 328389223 /nfs/dbraw/zinc/38/92/23/328389223.db2.gz ONBPAPBKMSMOOR-OAHLLOKOSA-N 0 3 374.485 2.284 10 0 FEAEHN C[C@H]1Oc2ccccc2N(CC(=O)N[C@@H](CN(C)C)c2ccccc2)C1=O ZINC000029953923 324453628 /nfs/dbraw/zinc/45/36/28/324453628.db2.gz VWYJOJBFEQXQHN-WBVHZDCISA-N 0 3 367.449 2.220 10 0 FEAEHN CN(C)C[C@H](NC(=O)NCCc1nnc2n1CCCCC2)c1ccccc1 ZINC000048216559 324658167 /nfs/dbraw/zinc/65/81/67/324658167.db2.gz LEUPDTUOERHSKJ-KRWDZBQOSA-N 0 3 370.501 2.149 10 0 FEAEHN CN(C)Cc1cccc(NC(=O)C(=O)N[C@H](CN(C)C)c2ccccc2)c1 ZINC000049381293 324682371 /nfs/dbraw/zinc/68/23/71/324682371.db2.gz IKZFBWKDYIBXPQ-LJQANCHMSA-N 0 3 368.481 2.106 10 0 FEAEHN COCCOc1ccc(CN[C@H]2CCCN(c3cc(C)nn3C)C2=O)cc1 ZINC000080526478 325134610 /nfs/dbraw/zinc/13/46/10/325134610.db2.gz YRPIPDBPHBMKRI-SFHVURJKSA-N 0 3 372.469 2.039 10 0 FEAEHN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000083571288 325219158 /nfs/dbraw/zinc/21/91/58/325219158.db2.gz UGKKJFMMYNWBDU-MRXNPFEDSA-N 0 3 372.473 2.492 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)CCCc2ncc(-c3ccccc3)o2)CCO1 ZINC000116785722 326035329 /nfs/dbraw/zinc/03/53/29/326035329.db2.gz QSOYRWFYAXDEJG-KRWDZBQOSA-N 0 3 357.454 2.453 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@H](C)C(=O)N[C@H](C)c1ccccc1OC)CC2 ZINC000245890115 328576530 /nfs/dbraw/zinc/57/65/30/328576530.db2.gz BLYWYYYMGOCGPA-RBSFLKMASA-N 0 3 371.485 2.019 10 0 FEAEHN CCc1onc(C)c1NC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000119164411 326133236 /nfs/dbraw/zinc/13/32/36/326133236.db2.gz ZDEZRWINQJKXPX-UHFFFAOYSA-N 0 3 360.462 2.370 10 0 FEAEHN Cc1cnccc1NC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000120504502 326264015 /nfs/dbraw/zinc/26/40/15/326264015.db2.gz MVZXTRNMQJJGTF-UHFFFAOYSA-N 0 3 354.458 2.201 10 0 FEAEHN CCOc1cccc(CN2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)c1 ZINC000121023127 326306851 /nfs/dbraw/zinc/30/68/51/326306851.db2.gz VEOQZXHKCRGYSP-NRFANRHFSA-N 0 3 361.530 2.312 10 0 FEAEHN COCCOc1ccccc1CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000121587949 326350008 /nfs/dbraw/zinc/35/00/08/326350008.db2.gz PVUUATGEPAAYLO-UHFFFAOYSA-N 0 3 358.486 2.153 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1cccc(Br)c1 ZINC000121812369 326369078 /nfs/dbraw/zinc/36/90/78/326369078.db2.gz AOUIGAQFTOJTHF-CQSZACIVSA-N 0 3 370.291 2.480 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000121811927 326369104 /nfs/dbraw/zinc/36/91/04/326369104.db2.gz KPDVUDXWSWRLBO-AWEZNQCLSA-N 0 3 370.291 2.480 10 0 FEAEHN Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](N(C)C)C2)c(Br)c1 ZINC000124010355 326446281 /nfs/dbraw/zinc/44/62/81/326446281.db2.gz AVEMZIUBMPIPQN-DGCLKSJQSA-N 0 3 361.305 2.328 10 0 FEAEHN COCOc1ccc(OC)cc1CN[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000136292158 326651511 /nfs/dbraw/zinc/65/15/11/326651511.db2.gz QESPXRJZJOMHEA-HNNXBMFYSA-N 0 3 360.458 2.497 10 0 FEAEHN CCCCS(=O)(=O)Nc1ccc(NC(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000152210178 326701718 /nfs/dbraw/zinc/70/17/18/326701718.db2.gz ARPYUQTVIMCSIT-MRXNPFEDSA-N 0 3 368.503 2.396 10 0 FEAEHN C[C@@H](NC(=O)CN1CCO[C@H](CN(C)C)C1)c1ccc2c(c1)CCCC2 ZINC000155339021 326785228 /nfs/dbraw/zinc/78/52/28/326785228.db2.gz CBNBKYXHTXUHDG-OXQOHEQNSA-N 0 3 359.514 2.005 10 0 FEAEHN CN(C)CCN(Cc1ccco1)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000156474812 326832428 /nfs/dbraw/zinc/83/24/28/326832428.db2.gz VAYHCDFUJOTZLB-HNNXBMFYSA-N 0 3 365.474 2.427 10 0 FEAEHN CCC[C@H]([NH3+])C(=O)Nc1cc(S(=O)(=O)[N-]C(C)(C)C)c(F)cc1F ZINC000161528219 327001991 /nfs/dbraw/zinc/00/19/91/327001991.db2.gz CMSYVNPBNCEUOQ-NSHDSACASA-N 0 3 363.430 2.108 10 0 FEAEHN COCCN1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C[C@@H]1C ZINC000163759098 327058010 /nfs/dbraw/zinc/05/80/10/327058010.db2.gz CKAVPNIGSQLSAR-IBGZPJMESA-N 0 3 373.541 2.468 10 0 FEAEHN Cc1cc(NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)ccc1OCC(F)(F)F ZINC000164423546 327070122 /nfs/dbraw/zinc/07/01/22/327070122.db2.gz AUNSRALCMKQELZ-CYBMUJFWSA-N 0 3 373.375 2.037 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000168431978 327086830 /nfs/dbraw/zinc/08/68/30/327086830.db2.gz ADVMNEHZACHRIS-HNAYVOBHSA-N 0 3 356.470 2.359 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000170832402 327101279 /nfs/dbraw/zinc/10/12/79/327101279.db2.gz XQXSXBWGFYFCMC-MRXNPFEDSA-N 0 3 366.456 2.275 10 0 FEAEHN Cc1ccc(-n2cnnc2SCC(=O)N2CC[C@H](N(C)C)C2)cc1C ZINC000170856489 327102987 /nfs/dbraw/zinc/10/29/87/327102987.db2.gz ULFJUPRXMQIGDP-INIZCTEOSA-N 0 3 359.499 2.139 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000170866100 327103965 /nfs/dbraw/zinc/10/39/65/327103965.db2.gz SYUWSOVZYNABNI-SFHVURJKSA-N 0 3 359.470 2.198 10 0 FEAEHN Cc1nc(C[C@H]2CCCN(C(=O)N[C@@H](CC(C)C)CN(C)C)C2)no1 ZINC000170896365 327106079 /nfs/dbraw/zinc/10/60/79/327106079.db2.gz YVURLVKISRIOIV-CVEARBPZSA-N 0 3 351.495 2.318 10 0 FEAEHN CN(C)C(=O)[C@@H](c1ccccc1)N(C)C1CCN(CCn2cccn2)CC1 ZINC000170942356 327108912 /nfs/dbraw/zinc/10/89/12/327108912.db2.gz DJGYBDWFNWGMGS-HXUWFJFHSA-N 0 3 369.513 2.109 10 0 FEAEHN COc1ccc([C@@H]2CCCN2C(=O)CN2CCN3CCC[C@@H]3C2)c(OC)c1 ZINC000170958783 327110222 /nfs/dbraw/zinc/11/02/22/327110222.db2.gz UIYDRDADTIUEGV-APWZRJJASA-N 0 3 373.497 2.147 10 0 FEAEHN Cc1cc(C(=O)NC2CCN(C[C@@H](O)COC(C)(C)C)CC2)c(C)o1 ZINC000171240239 327127093 /nfs/dbraw/zinc/12/70/93/327127093.db2.gz GIDSGPLFTPWWFA-MRXNPFEDSA-N 0 3 352.475 2.267 10 0 FEAEHN O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)N1CCN2CCC[C@@H]2C1 ZINC000171278818 327129233 /nfs/dbraw/zinc/12/92/33/327129233.db2.gz DYLWKJLDGHJXGP-OAHLLOKOSA-N 0 3 371.462 2.388 10 0 FEAEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171349944 327134206 /nfs/dbraw/zinc/13/42/06/327134206.db2.gz DRVMQVPVBRSKRD-RTBURBONSA-N 0 3 355.486 2.440 10 0 FEAEHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)c2cccs2)CC1 ZINC000171414068 327137941 /nfs/dbraw/zinc/13/79/41/327137941.db2.gz FGTCWPJNJWRMJZ-AWEZNQCLSA-N 0 3 352.504 2.005 10 0 FEAEHN COc1ccc(CNC(=O)CN2CC[C@@H](CNc3cccc(C)n3)C2)cc1 ZINC000171652990 327152276 /nfs/dbraw/zinc/15/22/76/327152276.db2.gz BMQRMJGTVBEDOZ-SFHVURJKSA-N 0 3 368.481 2.449 10 0 FEAEHN C[C@@H](NC(=O)N(C)C1CCN(CCn2cccn2)CC1)c1ccccn1 ZINC000171757569 327159622 /nfs/dbraw/zinc/15/96/22/327159622.db2.gz YGQITHLTMYVYRU-MRXNPFEDSA-N 0 3 356.474 2.145 10 0 FEAEHN Cc1ncc(CN2CCN(C(=O)[C@H](C)N3CCCCCC3)CC2)s1 ZINC000173287371 327247183 /nfs/dbraw/zinc/24/71/83/327247183.db2.gz AZXLHELKNHWIQQ-HNNXBMFYSA-N 0 3 350.532 2.360 10 0 FEAEHN CN1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000173392505 327253155 /nfs/dbraw/zinc/25/31/55/327253155.db2.gz KIVQEBJEOIDWSH-MQVJKMGUSA-N 0 3 366.506 2.310 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000173727065 327279534 /nfs/dbraw/zinc/27/95/34/327279534.db2.gz QHPDMGCKLRWVLG-HUUCEWRRSA-N 0 3 362.451 2.040 10 0 FEAEHN Cc1cc(C(=O)N2CCO[C@H](CN(C)C)C2)ccc1NC(=O)CC(C)C ZINC000173792349 327284327 /nfs/dbraw/zinc/28/43/27/327284327.db2.gz HLVWUKFGGXYNGU-QGZVFWFLSA-N 0 3 361.486 2.382 10 0 FEAEHN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000173792671 327284393 /nfs/dbraw/zinc/28/43/93/327284393.db2.gz RJOXKBKQSODJHG-DOMZBBRYSA-N 0 3 371.275 2.005 10 0 FEAEHN CCOC(=O)c1nc(-c2ccccc2)oc1CN1CCO[C@@H](CN(C)C)C1 ZINC000174137927 327308332 /nfs/dbraw/zinc/30/83/32/327308332.db2.gz UTKXXPJYXMUTKM-INIZCTEOSA-N 0 3 373.453 2.281 10 0 FEAEHN CNc1cc(N2CCC[C@H]2CN[C@H](C)C(=O)Nc2ccccc2C)ncn1 ZINC000174285343 327317049 /nfs/dbraw/zinc/31/70/49/327317049.db2.gz FGUOIVCVEUVDMJ-CVEARBPZSA-N 0 3 368.485 2.412 10 0 FEAEHN CNc1cc(N2CCC[C@H]2CN[C@H](C)C(=O)Nc2cccc(F)c2)ncn1 ZINC000174287016 327317438 /nfs/dbraw/zinc/31/74/38/327317438.db2.gz LAUYAWAQYSTRCY-CJNGLKHVSA-N 0 3 372.448 2.243 10 0 FEAEHN CCOCCN1CCN(CCC(=O)Nc2cccc(OC)c2)C[C@@H]1CC ZINC000174782771 327351032 /nfs/dbraw/zinc/35/10/32/327351032.db2.gz UUACCZAVCFCPFG-SFHVURJKSA-N 0 3 363.502 2.457 10 0 FEAEHN Cc1ccc([C@H](CN[C@H]2CCN(C(C)C)C2=O)N2CCOCC2)s1 ZINC000175198021 327379458 /nfs/dbraw/zinc/37/94/58/327379458.db2.gz DALQMMNAKGOANQ-HOTGVXAUSA-N 0 3 351.516 2.029 10 0 FEAEHN CCOCCNC(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000175356280 327388819 /nfs/dbraw/zinc/38/88/19/327388819.db2.gz UEQBPOPYTNTQHM-LJQANCHMSA-N 0 3 363.502 2.110 10 0 FEAEHN C/C(=C\C(=O)N1CCO[C@@H](CN(C)C)C1)c1ccccc1OC(F)F ZINC000175421195 327391844 /nfs/dbraw/zinc/39/18/44/327391844.db2.gz OIWLHPOIMRNMNM-UELRPHRMSA-N 0 3 354.397 2.480 10 0 FEAEHN CN1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CCCn3ncnc32)CC1 ZINC000176605497 327465581 /nfs/dbraw/zinc/46/55/81/327465581.db2.gz IKOLYRMCSFLGBD-SFHVURJKSA-N 0 3 368.485 2.419 10 0 FEAEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)c1ccc(=O)[nH]c1 ZINC000177465447 327524346 /nfs/dbraw/zinc/52/43/46/327524346.db2.gz YSYJKODIQTVHRU-LJQANCHMSA-N 0 3 369.465 2.305 10 0 FEAEHN NC1(C(=O)Nc2ccc3cccc(Br)c3n2)CCOCC1 ZINC000261866278 328825512 /nfs/dbraw/zinc/82/55/12/328825512.db2.gz NOLVOFDYPWESBY-UHFFFAOYSA-N 0 3 350.216 2.444 10 0 FEAEHN CCOc1cc(CN(C)C(=O)C2(N)CCOCC2)ccc1OC(F)F ZINC000261886023 328827193 /nfs/dbraw/zinc/82/71/93/328827193.db2.gz PXSHBQRVYJTGIJ-UHFFFAOYSA-N 0 3 358.385 2.153 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000262717067 328883613 /nfs/dbraw/zinc/88/36/13/328883613.db2.gz WBOZBSQRXNTNLT-PMUMKWKESA-N 0 3 350.482 2.128 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2cc(NC(=O)C(C)(C)C)ccc2F)n1 ZINC000263305502 328931802 /nfs/dbraw/zinc/93/18/02/328931802.db2.gz XTCSIYRFELJTFI-AWEZNQCLSA-N 0 3 361.421 2.436 10 0 FEAEHN CCc1cc(N2CCN(C[C@H](C)O)[C@@H](CC)C2)nc(-c2ccncc2)n1 ZINC000264561626 329035902 /nfs/dbraw/zinc/03/59/02/329035902.db2.gz PCOGRVWNZFCIRV-YJBOKZPZSA-N 0 3 355.486 2.382 10 0 FEAEHN COc1ccccc1/C=C/CN[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000275586690 330066979 /nfs/dbraw/zinc/06/69/79/330066979.db2.gz PJWIGSZJUIKXOF-JZLODUJNSA-N 0 3 354.454 2.061 10 0 FEAEHN CCOC(=O)c1cnc2cc(C(=O)OC(C)C)ccc2c1N1CCNCC1 ZINC000053994932 535713075 /nfs/dbraw/zinc/71/30/75/535713075.db2.gz PZPCBZXZMPBNSF-UHFFFAOYSA-N 0 3 371.437 2.386 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccccc1)CC2 ZINC000155637096 545552053 /nfs/dbraw/zinc/55/20/53/545552053.db2.gz HNGUMDKPBHIPMH-SJORKVTESA-N 0 3 370.501 2.318 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCc1cccc(CN(C)C)c1)CC2 ZINC000156610244 545640006 /nfs/dbraw/zinc/64/00/06/545640006.db2.gz YOJNSSADBVBOLK-KRWDZBQOSA-N 0 3 370.501 2.277 10 0 FEAEHN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000157408247 545738533 /nfs/dbraw/zinc/73/85/33/545738533.db2.gz DOSMPDXPCJMMBT-FUHWJXTLSA-N 0 3 372.513 2.475 10 0 FEAEHN COc1ccc(Cn2cc(C(=O)N[C@H]3CN(C(C)C)C[C@H]3C)cn2)cc1 ZINC000159109650 545922922 /nfs/dbraw/zinc/92/29/22/545922922.db2.gz XLOKSKQPCPPLMM-BEFAXECRSA-N 0 3 356.470 2.399 10 0 FEAEHN O=C(CCc1ccc(F)cc1)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000159220051 545933693 /nfs/dbraw/zinc/93/36/93/545933693.db2.gz ICUSUDXEYJRNQV-FQEVSTJZSA-N 0 3 356.441 2.294 10 0 FEAEHN CC[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)N(C)C)CCN1CCOC ZINC000172320805 546246742 /nfs/dbraw/zinc/24/67/42/546246742.db2.gz DXAJSNXCPNLEST-CVEARBPZSA-N 0 3 368.547 2.103 10 0 FEAEHN C[C@H](NC(=O)NCc1ccccc1CN1CCC(O)CC1)[C@H]1CCCO1 ZINC000175857471 546362478 /nfs/dbraw/zinc/36/24/78/546362478.db2.gz ITEDAWGXDXFOSN-HNAYVOBHSA-N 0 3 361.486 2.010 10 0 FEAEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000175920276 546372070 /nfs/dbraw/zinc/37/20/70/546372070.db2.gz STOFGWBICFBTHY-XHSDSOJGSA-N 0 3 351.491 2.377 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000176364464 546436203 /nfs/dbraw/zinc/43/62/03/546436203.db2.gz LEJCAESDXUEIJW-QGZVFWFLSA-N 0 3 356.474 2.469 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccccc1N1CCCC1 ZINC000176903507 546505212 /nfs/dbraw/zinc/50/52/12/546505212.db2.gz VAFCYDBDJNYORQ-MRXNPFEDSA-N 0 3 358.486 2.168 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CCN1c2ccccc2O[C@H](C)C1=O ZINC000176985519 546517831 /nfs/dbraw/zinc/51/78/31/546517831.db2.gz IFCNUTFFMVWBPF-HZPDHXFCSA-N 0 3 359.470 2.133 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000176978501 546518156 /nfs/dbraw/zinc/51/81/56/546518156.db2.gz KWXXHNHLEISSIW-HKUYNNGSSA-N 0 3 361.486 2.205 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H](NC(=O)c1cccs1)C(C)C ZINC000177008247 546523118 /nfs/dbraw/zinc/52/31/18/546523118.db2.gz VIIUCHGIDLLXOE-GOEBONIOSA-N 0 3 351.516 2.445 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000177015677 546524349 /nfs/dbraw/zinc/52/43/49/546524349.db2.gz URYZTZTZHBMAHL-CQSZACIVSA-N 0 3 368.437 2.085 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cnn(Cc2ccc(OC)cc2)c1 ZINC000177023117 546525782 /nfs/dbraw/zinc/52/57/82/546525782.db2.gz KOSAXYLOFMKNIZ-SFHVURJKSA-N 0 3 356.470 2.496 10 0 FEAEHN O=C(CCN1CC[C@H](N2CCOCC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000177157746 546558402 /nfs/dbraw/zinc/55/84/02/546558402.db2.gz FQEJZNYQKPCAAL-INIZCTEOSA-N 0 3 371.403 2.441 10 0 FEAEHN O=C(Nc1ccccc1CC(F)(F)F)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177684207 546666547 /nfs/dbraw/zinc/66/65/47/546666547.db2.gz BHARGSLBSBFHGA-ZDUSSCGKSA-N 0 3 355.360 2.037 10 0 FEAEHN O=C(Nc1ccc(OC(F)F)c(Cl)c1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177686585 546667531 /nfs/dbraw/zinc/66/75/31/546667531.db2.gz UMZIHRIBLBVDNC-LLVKDONJSA-N 0 3 373.787 2.187 10 0 FEAEHN O=C(Nc1cccc(CC(F)(F)F)c1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177688754 546667750 /nfs/dbraw/zinc/66/77/50/546667750.db2.gz SHEXHEBNPHYVLE-AWEZNQCLSA-N 0 3 355.360 2.037 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000177699044 546669926 /nfs/dbraw/zinc/66/99/26/546669926.db2.gz SZGHNEGKUZFSEZ-AZUAARDMSA-N 0 3 358.530 2.140 10 0 FEAEHN O=C(NCc1ccc([O-])c(Br)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178267388 546766990 /nfs/dbraw/zinc/76/69/90/546766990.db2.gz YYNSBUUGOVHROT-GFCCVEGCSA-N 0 3 354.248 2.144 10 0 FEAEHN O=C(NCc1ccc([O-])c(Br)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178267388 546766996 /nfs/dbraw/zinc/76/69/96/546766996.db2.gz YYNSBUUGOVHROT-GFCCVEGCSA-N 0 3 354.248 2.144 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1CC(=O)NCCCN(C)c1ccccc1 ZINC000178303440 546772425 /nfs/dbraw/zinc/77/24/25/546772425.db2.gz WJOASTVIQUUBMP-HXUWFJFHSA-N 0 3 369.513 2.299 10 0 FEAEHN COCc1ccccc1CNC(=O)CN1CCC[C@@H]1Cn1ccnc1C ZINC000178751079 546843316 /nfs/dbraw/zinc/84/33/16/546843316.db2.gz DTSLIZIVPOMDMY-LJQANCHMSA-N 0 3 356.470 2.119 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)NCCOc1c(C)cccc1C ZINC000178755460 546844431 /nfs/dbraw/zinc/84/44/31/546844431.db2.gz ZIEYUQFQLAGJAV-IBGZPJMESA-N 0 3 370.497 2.468 10 0 FEAEHN CN(C)CCOc1cc(CNC(=O)N[C@@H]2CCOc3ccccc32)ccn1 ZINC000179319294 546930934 /nfs/dbraw/zinc/93/09/34/546930934.db2.gz IPNKDAXKTJWPJZ-QGZVFWFLSA-N 0 3 370.453 2.345 10 0 FEAEHN CCc1nccn1[C@H]1CCCN(Cc2c(C)nn(C)c2N2CCOCC2)C1 ZINC000179543019 546974729 /nfs/dbraw/zinc/97/47/29/546974729.db2.gz QNNNNULQYIWXLC-KRWDZBQOSA-N 0 3 372.517 2.161 10 0 FEAEHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CNC1(c2cccc(F)c2)CC1 ZINC000179680739 546996992 /nfs/dbraw/zinc/99/69/92/546996992.db2.gz QDRDJFISFBPBOX-HNNXBMFYSA-N 0 3 354.381 2.062 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cn(-c2cccc(Cl)c2F)nn1 ZINC000180535810 547125640 /nfs/dbraw/zinc/12/56/40/547125640.db2.gz UEEJMJSJOJNMLJ-NWDGAFQWSA-N 0 3 363.824 2.369 10 0 FEAEHN CCOc1ncccc1NC(=O)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000180898283 547205803 /nfs/dbraw/zinc/20/58/03/547205803.db2.gz KDWPTKOWVBGLEP-HNNXBMFYSA-N 0 3 370.453 2.056 10 0 FEAEHN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000181190452 547267322 /nfs/dbraw/zinc/26/73/22/547267322.db2.gz VLFWLGZWVAFORO-KRWDZBQOSA-N 0 3 374.485 2.025 10 0 FEAEHN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000181280193 547284417 /nfs/dbraw/zinc/28/44/17/547284417.db2.gz ZEAJWRPAJXSVOL-RDJZCZTQSA-N 0 3 370.501 2.495 10 0 FEAEHN CCOC(=O)C1CCN(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)CC1 ZINC000181295491 547287763 /nfs/dbraw/zinc/28/77/63/547287763.db2.gz UBCHZJDGISTAPZ-INIZCTEOSA-N 0 3 361.486 2.492 10 0 FEAEHN CN(C)C[C@H](NC(=O)c1ccnc(O[C@H]2CCOC2)c1)c1ccccc1 ZINC000182372605 547480914 /nfs/dbraw/zinc/48/09/14/547480914.db2.gz JWGYMXKWWGLOPT-ROUUACIJSA-N 0 3 355.438 2.282 10 0 FEAEHN Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000182533467 547509337 /nfs/dbraw/zinc/50/93/37/547509337.db2.gz PXNYPNQEKANMQV-ZDUSSCGKSA-N 0 3 368.437 2.085 10 0 FEAEHN CC(C)N1CCO[C@@H](CN2CCN(CCCc3cccc(F)c3)CC2)C1 ZINC000182752427 547546266 /nfs/dbraw/zinc/54/62/66/547546266.db2.gz XSFQAAJDXQVPQV-NRFANRHFSA-N 0 3 363.521 2.485 10 0 FEAEHN CC(=O)N[C@H]1CCCN(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000184562979 547845764 /nfs/dbraw/zinc/84/57/64/547845764.db2.gz FKZCYHFQEWUSKV-VQTJNVASSA-N 0 3 374.529 2.453 10 0 FEAEHN O=C(CCN1C[C@H](O)C[C@@H]1CO)Nc1ccccc1Oc1ccccc1 ZINC000184715322 547869753 /nfs/dbraw/zinc/86/97/53/547869753.db2.gz UJHQIFQBMKOGHP-HZPDHXFCSA-N 0 3 356.422 2.235 10 0 FEAEHN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195222912 548598545 /nfs/dbraw/zinc/59/85/45/548598545.db2.gz FKRODCWZQBDSIE-LJQANCHMSA-N 0 3 371.529 2.449 10 0 FEAEHN Cc1cc(NC(=O)CN2CC[C@H](CN(C)Cc3scnc3C)C2)no1 ZINC000195250891 548603830 /nfs/dbraw/zinc/60/38/30/548603830.db2.gz ZRSAMYWRXQXPST-CQSZACIVSA-N 0 3 363.487 2.140 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(CC(=O)NC2CCCC2)C1 ZINC000195261926 548606842 /nfs/dbraw/zinc/60/68/42/548606842.db2.gz JKXPDNOYLRXKPF-HNNXBMFYSA-N 0 3 350.532 2.264 10 0 FEAEHN CCC[C@@H](N)C(=O)NCCCN1CCN(c2ccccc2Cl)CC1 ZINC000236943419 548789024 /nfs/dbraw/zinc/78/90/24/548789024.db2.gz GYRMCXVOURRMTE-MRXNPFEDSA-N 0 3 352.910 2.096 10 0 FEAEHN C[C@@H]1CN(Cc2ccc(OC[C@@H]3CCCO3)cc2)C[C@H]1N1CCOCC1 ZINC000245512763 548936827 /nfs/dbraw/zinc/93/68/27/548936827.db2.gz AXCZLPRIYKCPHU-JRGCBEDISA-N 0 3 360.498 2.397 10 0 FEAEHN Clc1ccc(C2=NO[C@@H](CN3CC[C@@H](CN4CCOCC4)C3)C2)cc1 ZINC000245684591 548974616 /nfs/dbraw/zinc/97/46/16/548974616.db2.gz ADUDCDIPQIRREZ-MAUKXSAKSA-N 0 3 363.889 2.487 10 0 FEAEHN CC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(OC)cc2)CCN1C[C@H](C)O ZINC000245693383 548976903 /nfs/dbraw/zinc/97/69/03/548976903.db2.gz BUOYTQNGSQCHJK-MAUKXSAKSA-N 0 3 358.486 2.362 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000245755384 548989984 /nfs/dbraw/zinc/98/99/84/548989984.db2.gz HLHAYWFFSOQDRA-COXVUDFISA-N 0 3 352.429 2.056 10 0 FEAEHN COC(=O)[C@@H](c1cccc(Br)c1)N1CCN2CCC[C@H]2C1 ZINC000245888816 549012190 /nfs/dbraw/zinc/01/21/90/549012190.db2.gz JFEAZNTZBMTQFR-LSDHHAIUSA-N 0 3 353.260 2.443 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(-c3ncco3)cc2)C1 ZINC000246057667 549043588 /nfs/dbraw/zinc/04/35/88/549043588.db2.gz YBCIAAPZMXBVAL-XJKSGUPXSA-N 0 3 356.426 2.125 10 0 FEAEHN CCN1CCC[C@H]1CN(C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000246095967 549051649 /nfs/dbraw/zinc/05/16/49/549051649.db2.gz AKNTWJYNPCADOI-KXBFYZLASA-N 0 3 361.486 2.225 10 0 FEAEHN O[C@H](Cc1ccc(C(F)(F)F)cc1)CN1CC[C@@H](N2CCOCC2)C1 ZINC000246102345 549052203 /nfs/dbraw/zinc/05/22/03/549052203.db2.gz LETUJJSMFLGKJM-IAGOWNOFSA-N 0 3 358.404 2.015 10 0 FEAEHN COCCN1CCN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000246232429 549084464 /nfs/dbraw/zinc/08/44/64/549084464.db2.gz CJLZUWLOHFTCBC-PBHICJAKSA-N 0 3 360.420 2.261 10 0 FEAEHN CCc1ccccc1Nc1nc(N)nc(CN2CCN3CCC[C@H]3C2)n1 ZINC000246259537 549090641 /nfs/dbraw/zinc/09/06/41/549090641.db2.gz GCTHGHGOYLWIQL-HNNXBMFYSA-N 0 3 353.474 2.040 10 0 FEAEHN C[C@@H](OC[C@@H](O)CN1CCN(C[C@H](C)O)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000246272357 549093889 /nfs/dbraw/zinc/09/38/89/549093889.db2.gz HFYPHVJRTKJQLN-GGXPGOJBSA-N 0 3 370.921 2.165 10 0 FEAEHN CC(C)C(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000246305829 549101090 /nfs/dbraw/zinc/10/10/90/549101090.db2.gz DLWUEFGXBLVNEJ-RHSMWYFYSA-N 0 3 374.485 2.065 10 0 FEAEHN CC[C@@H]1CN(C[C@@H](O)COc2ccccc2C(C)C)CCN1C[C@@H](C)O ZINC000246339411 549110176 /nfs/dbraw/zinc/11/01/76/549110176.db2.gz LJHBZFMAKXIOGH-GUDVDZBRSA-N 0 3 364.530 2.327 10 0 FEAEHN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N2CCN3CCC[C@H]3C2)c1 ZINC000246350755 549112004 /nfs/dbraw/zinc/11/20/04/549112004.db2.gz MOBKQWXWKUOCQG-JYJNAYRXSA-N 0 3 361.486 2.050 10 0 FEAEHN Cc1ccc2cccc(NC(=O)C(=O)N[C@@H]3CN(C(C)C)C[C@H]3C)c2n1 ZINC000246460813 549138134 /nfs/dbraw/zinc/13/81/34/549138134.db2.gz PICCZDVEVPIAHV-CXAGYDPISA-N 0 3 354.454 2.327 10 0 FEAEHN CC[C@H]1CN(Cc2cn(-c3ccc(Cl)cc3)nn2)CCN1C[C@H](C)O ZINC000246525851 549153359 /nfs/dbraw/zinc/15/33/59/549153359.db2.gz KXGIDHQWUBCADH-YOEHRIQHSA-N 0 3 363.893 2.198 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000246526484 549153755 /nfs/dbraw/zinc/15/37/55/549153755.db2.gz UOAXLNDXRIITGN-SMDDNHRTSA-N 0 3 355.385 2.071 10 0 FEAEHN CCc1noc([C@H](C)N2CCN(C(=O)[C@H](C)N3[C@@H](C)CC[C@@H]3C)CC2)n1 ZINC000246702914 549192154 /nfs/dbraw/zinc/19/21/54/549192154.db2.gz YSIQQOGMRWYZQN-VGWMRTNUSA-N 0 3 363.506 2.099 10 0 FEAEHN CC[C@H]1CN(C(=O)[C@H](C)N2CCc3ccccc3C2)CCN1CCOC ZINC000246994071 549260215 /nfs/dbraw/zinc/26/02/15/549260215.db2.gz GICAFIRVSXCUQW-PXNSSMCTSA-N 0 3 359.514 2.002 10 0 FEAEHN CCN1CCCC[C@@H]1C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000247063447 549274972 /nfs/dbraw/zinc/27/49/72/549274972.db2.gz XOEQKVRDTDRSLG-NHCUHLMSSA-N 0 3 373.541 2.423 10 0 FEAEHN COc1cccc(CNC(=O)[C@@H](C)N2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000247122263 549287363 /nfs/dbraw/zinc/28/73/63/549287363.db2.gz RVLBWWZFSRSCKO-CRAIPNDOSA-N 0 3 356.470 2.369 10 0 FEAEHN CCO[C@@H]1C[C@H](N[C@H]2CCCN(CC(F)(F)F)C2=O)C12CCOCC2 ZINC000249065346 549544538 /nfs/dbraw/zinc/54/45/38/549544538.db2.gz ZHPPJCMZUSETNP-MELADBBJSA-N 0 3 364.408 2.104 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000249180466 549565203 /nfs/dbraw/zinc/56/52/03/549565203.db2.gz NCMSSAQWARBVOA-WFASDCNBSA-N 0 3 369.387 2.425 10 0 FEAEHN Cc1ccc(C)c(OC[C@@H](O)CN2CCC[C@@H](Cn3cncn3)C2)c1C ZINC000252352849 549663035 /nfs/dbraw/zinc/66/30/35/549663035.db2.gz OFKIOAZCPJEJQI-MOPGFXCFSA-N 0 3 358.486 2.355 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000261749005 549751941 /nfs/dbraw/zinc/75/19/41/549751941.db2.gz MOHZPGMWENTQQZ-SRCQZFHVSA-N 0 3 366.303 2.318 10 0 FEAEHN c1cn(CCc2ccccc2)c(CN[C@@H]2CCC[C@H]2[C@H]2COCCN2)n1 ZINC000261962988 549774696 /nfs/dbraw/zinc/77/46/96/549774696.db2.gz PUMWIMMYGDNGDI-VAMGGRTRSA-N 0 3 354.498 2.373 10 0 FEAEHN C[N@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000262936761 549864448 /nfs/dbraw/zinc/86/44/48/549864448.db2.gz MYVYPOCMNNJRCN-IBGZPJMESA-N 0 3 373.497 2.294 10 0 FEAEHN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000262936761 549864450 /nfs/dbraw/zinc/86/44/50/549864450.db2.gz MYVYPOCMNNJRCN-IBGZPJMESA-N 0 3 373.497 2.294 10 0 FEAEHN CCCc1ccc2nccc(N3CCO[C@@H](C[N@H+](C)CC(=O)[O-])C3)c2c1 ZINC000263411806 549900023 /nfs/dbraw/zinc/90/00/23/549900023.db2.gz MPHXUIVROVFZNS-INIZCTEOSA-N 0 3 357.454 2.409 10 0 FEAEHN CCCc1ccc2nccc(N3CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C3)c2c1 ZINC000263411806 549900026 /nfs/dbraw/zinc/90/00/26/549900026.db2.gz MPHXUIVROVFZNS-INIZCTEOSA-N 0 3 357.454 2.409 10 0 FEAEHN CNCC(=O)Nc1ccc(I)cc1Br ZINC000300962081 553617744 /nfs/dbraw/zinc/61/77/44/553617744.db2.gz NTOCYZVWZFZFNM-UHFFFAOYSA-N 0 3 369.000 2.212 10 0 FEAEHN Cc1ccc(I)cc1NC(=O)C1(N)CCOCC1 ZINC000302264500 553713785 /nfs/dbraw/zinc/71/37/85/553713785.db2.gz FZEDOIZNEAALJV-UHFFFAOYSA-N 0 3 360.195 2.046 10 0 FEAEHN COc1cc2c(c(CNC[C@H]3CCc4c(C(N)=O)cnn4C3)c1)O[C@H](C)C2 ZINC000328627091 553798372 /nfs/dbraw/zinc/79/83/72/553798372.db2.gz FVEOKXGIFSRGQR-CHWSQXEVSA-N 0 3 370.453 2.451 10 0 FEAEHN C[C@H](C(=O)N1CCCc2ccccc21)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000374070904 557817883 /nfs/dbraw/zinc/81/78/83/557817883.db2.gz WJRXFWUJGGOWNI-VUBSUSDNSA-N 0 3 358.482 2.216 10 0 FEAEHN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374076006 557819240 /nfs/dbraw/zinc/81/92/40/557819240.db2.gz YVDNRUOLZLJMHD-OWYFMNJBSA-N 0 3 353.507 2.261 10 0 FEAEHN C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000375435137 558026759 /nfs/dbraw/zinc/02/67/59/558026759.db2.gz XAZJEUYQPQPHAB-AKUNZDBBSA-N 0 3 352.519 2.322 10 0 FEAEHN NC1(C(=O)N2CCC3(CC(=O)N(Cc4ccc(Cl)cc4)C3)CC2)CC1 ZINC000077285317 670562542 /nfs/dbraw/zinc/56/25/42/670562542.db2.gz NBLOVRZTQNUCLO-UHFFFAOYSA-N 0 3 361.873 2.172 10 0 FEAEHN CC[C@@H]1CN(Cn2c(C)c(C)n(CCOC)c2=S)CCN1CCOC ZINC000117324415 670914646 /nfs/dbraw/zinc/91/46/46/670914646.db2.gz MLXSDISKCWGWLM-QGZVFWFLSA-N 0 3 370.563 2.282 10 0 FEAEHN CC[C@H]1CN(Cn2c3ccc(Cl)cc3oc2=O)CCN1CCOC ZINC000117323943 670914877 /nfs/dbraw/zinc/91/48/77/670914877.db2.gz OBJNNOHDPDDSRE-AWEZNQCLSA-N 0 3 353.850 2.248 10 0 FEAEHN CCn1c(-c2cccs2)nn(CN2CCO[C@H](CN(C)C)C2)c1=S ZINC000152985667 672191813 /nfs/dbraw/zinc/19/18/13/672191813.db2.gz BMPVLBSZFRAHQC-CYBMUJFWSA-N 0 3 367.544 2.382 10 0 FEAEHN O=C1CCCN1C[C@H](O)CNC1(c2ccc(Br)cc2)CC1 ZINC000180520362 672414887 /nfs/dbraw/zinc/41/48/87/672414887.db2.gz YKBHJUYRQZLXPD-CQSZACIVSA-N 0 3 353.260 2.011 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)C2=Cc3ccccc3OCC2)C1 ZINC000184975715 672514512 /nfs/dbraw/zinc/51/45/12/672514512.db2.gz IZEKZIXNFPLEFI-PBHICJAKSA-N 0 3 350.484 2.458 10 0 FEAEHN COc1ccc2c(c1)C=C(S(=O)(=O)N1C[C@H]3CCCN3C[C@H]1C)CC2 ZINC000185996367 672538290 /nfs/dbraw/zinc/53/82/90/672538290.db2.gz GSGNPBPPCUEXLZ-RHSMWYFYSA-N 0 3 362.495 2.481 10 0 FEAEHN CC(C)N1CCN(C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000045821879 540229952 /nfs/dbraw/zinc/22/99/52/540229952.db2.gz SWKMMWLLVDIOFB-OAHLLOKOSA-N 0 3 357.292 2.215 10 0 FEAEHN C[C@@H](OCCCNC(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1 ZINC000049174656 540383559 /nfs/dbraw/zinc/38/35/59/540383559.db2.gz HKWPSHJPLQEVAS-IEBWSBKVSA-N 0 3 363.502 2.300 10 0 FEAEHN COc1ccccc1C(=O)N[C@H](C(=O)NC[C@@H](C)N(C)C1CC1)C(C)C ZINC000057716374 540811022 /nfs/dbraw/zinc/81/10/22/540811022.db2.gz FXRZTCKHDSXBOJ-KDOFPFPSSA-N 0 3 361.486 2.049 10 0 FEAEHN Brc1cccc(OCCN2CC[C@@H](N3CCOCC3)C2)c1 ZINC000062982301 541156243 /nfs/dbraw/zinc/15/62/43/541156243.db2.gz XJXKVMWFGHWRNR-OAHLLOKOSA-N 0 3 355.276 2.234 10 0 FEAEHN O=C(c1cccc(N2CCN[C@@H](c3ccccc3)C2)n1)N1CCSCC1 ZINC000065256290 541230192 /nfs/dbraw/zinc/23/01/92/541230192.db2.gz AGAQOBQUFCUOJX-GOSISDBHSA-N 0 3 368.506 2.422 10 0 FEAEHN CCN1CCC[C@H](NC(=O)C[C@H](NC(C)=O)c2c(F)cccc2F)C1 ZINC000067156346 541426404 /nfs/dbraw/zinc/42/64/04/541426404.db2.gz XYASGJIGIGGEIX-BBRMVZONSA-N 0 3 353.413 2.133 10 0 FEAEHN C[C@@H](CN1CCOCC1)NC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000067734963 541506451 /nfs/dbraw/zinc/50/64/51/541506451.db2.gz GTNSCJFKHBHHKA-AZUAARDMSA-N 0 3 374.529 2.061 10 0 FEAEHN COCCN(CCOC)[C@@H](CN)c1ccc(OC)c(Br)c1 ZINC000038052178 211369024 /nfs/dbraw/zinc/36/90/24/211369024.db2.gz KFVSTIARYFCIGF-AWEZNQCLSA-N 0 3 361.280 2.052 10 0 FEAEHN CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](N1CCCCC1)C2 ZINC000014748265 211101056 /nfs/dbraw/zinc/10/10/56/211101056.db2.gz NYSIFEBPMLHUDB-HNNXBMFYSA-N 0 3 362.543 2.435 10 0 FEAEHN CSC[C@H](CCO)NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000077798827 542422298 /nfs/dbraw/zinc/42/22/98/542422298.db2.gz PQICFNQRPMEYCK-ROUUACIJSA-N 0 3 365.543 2.454 10 0 FEAEHN Cn1c(C(=O)N2CCCN(C)CC2)cc2c1CCN(Cc1ccccc1)C2 ZINC000065210815 221180472 /nfs/dbraw/zinc/18/04/72/221180472.db2.gz LRKNVIZSAKXYFM-UHFFFAOYSA-N 0 3 366.509 2.361 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)Cc1csc(NC(=O)C(C)C)n1 ZINC000072012949 221395869 /nfs/dbraw/zinc/39/58/69/221395869.db2.gz RPTNMPJZTOIYNZ-CYBMUJFWSA-N 0 3 354.520 2.373 10 0 FEAEHN Cc1ccc(OC[C@@H](O)CN2CCCN(c3ccc(C)nn3)CC2)c(C)c1 ZINC000106071693 543188851 /nfs/dbraw/zinc/18/88/51/543188851.db2.gz HOPZEAOKGXINLB-IBGZPJMESA-N 0 3 370.497 2.354 10 0 FEAEHN Cc1ccc(OC[C@H](O)CN2CCCN(c3ccc(C)nn3)CC2)c(C)c1 ZINC000106071691 543189345 /nfs/dbraw/zinc/18/93/45/543189345.db2.gz HOPZEAOKGXINLB-LJQANCHMSA-N 0 3 370.497 2.354 10 0 FEAEHN COC(=O)c1cc(CN(C)C2CCN(CCn3cccn3)CC2)oc1C ZINC000106130939 543205519 /nfs/dbraw/zinc/20/55/19/543205519.db2.gz LQESMSPLACRLAQ-UHFFFAOYSA-N 0 3 360.458 2.168 10 0 FEAEHN CN(C)C[C@@H]1CN(c2ncc(C(=O)N3CCCCC3)cc2Cl)CCO1 ZINC000108952001 543309023 /nfs/dbraw/zinc/30/90/23/543309023.db2.gz ZQPNEDIUPZJJBI-OAHLLOKOSA-N 0 3 366.893 2.128 10 0 FEAEHN CCCn1cc(CN2CCCN(Cc3ccc(C(=O)NC)cc3)CC2)cn1 ZINC000109005642 543310528 /nfs/dbraw/zinc/31/05/28/543310528.db2.gz UQGPCMMSACHJPQ-UHFFFAOYSA-N 0 3 369.513 2.361 10 0 FEAEHN CCN1CCN(CCCNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000109086842 543313568 /nfs/dbraw/zinc/31/35/68/543313568.db2.gz PBWISFMCWBTQKH-JKSUJKDBSA-N 0 3 351.441 2.212 10 0 FEAEHN Cc1noc(C)c1[C@@H](C)C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000109292729 543320686 /nfs/dbraw/zinc/32/06/86/543320686.db2.gz BKNCAZHJBRJHSU-CQSZACIVSA-N 0 3 359.474 2.214 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000156008003 545591937 /nfs/dbraw/zinc/59/19/37/545591937.db2.gz XBAJHVWNLYHWNJ-WDEREUQCSA-N 0 3 354.863 2.074 10 0 FEAEHN CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000111436103 543401764 /nfs/dbraw/zinc/40/17/64/543401764.db2.gz DIYPJBCCGHYJCA-GOEBONIOSA-N 0 3 367.515 2.325 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)C1 ZINC000111882441 543423572 /nfs/dbraw/zinc/42/35/72/543423572.db2.gz GLZAFLUFDPRAJJ-CABCVRRESA-N 0 3 366.456 2.275 10 0 FEAEHN CC(C)c1ccccc1OCCNC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000111895911 543423846 /nfs/dbraw/zinc/42/38/46/543423846.db2.gz IKZBBAAGLLEANI-QGZVFWFLSA-N 0 3 363.502 2.335 10 0 FEAEHN O=C(NCc1ccccn1)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000112550041 543451605 /nfs/dbraw/zinc/45/16/05/543451605.db2.gz BDHOJOZCMIPGEW-HXUWFJFHSA-N 0 3 368.481 2.326 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)c2cc(Br)cnc2N(C)C)C1 ZINC000113173503 543476116 /nfs/dbraw/zinc/47/61/16/543476116.db2.gz IUMSSAFPTUGKCK-GFCCVEGCSA-N 0 3 355.280 2.124 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)NCc1ccccc1F)CC2 ZINC000113442637 543487874 /nfs/dbraw/zinc/48/78/74/543487874.db2.gz NKWFECQASFAYNF-ZFWWWQNUSA-N 0 3 359.449 2.150 10 0 FEAEHN O=C(c1csc(I)c1)N1CCN2CCC[C@H]2C1 ZINC000113427033 543487901 /nfs/dbraw/zinc/48/79/01/543487901.db2.gz ILCRDQHODWQMTQ-JTQLQIEISA-N 0 3 362.236 2.273 10 0 FEAEHN CC[C@H]1CN(C(=O)NCC(C)(C)N2CCCCC2)CCN1CCOC ZINC000117470487 543632686 /nfs/dbraw/zinc/63/26/86/543632686.db2.gz CNYJOWDFHXBZJU-KRWDZBQOSA-N 0 3 354.539 2.003 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Cc2csc(Cc3ccccc3)n2)CCO1 ZINC000116785691 543615876 /nfs/dbraw/zinc/61/58/76/543615876.db2.gz HQKHLEMLRNWWEV-KRWDZBQOSA-N 0 3 359.495 2.065 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)CCO1 ZINC000124951222 543852956 /nfs/dbraw/zinc/85/29/56/543852956.db2.gz CPXBDJZAEJMSMX-FQEVSTJZSA-N 0 3 368.481 2.217 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)C1 ZINC000125812101 543903424 /nfs/dbraw/zinc/90/34/24/543903424.db2.gz XGXBPPNMIKCYDQ-OAHLLOKOSA-N 0 3 373.457 2.270 10 0 FEAEHN CCc1ccc([C@H](C)N[C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000126268737 543927050 /nfs/dbraw/zinc/92/70/50/543927050.db2.gz PCYYATCUELOJIE-IRXDYDNUSA-N 0 3 367.497 2.427 10 0 FEAEHN CCCCNC(=O)[C@H]1CCCN(C(=O)N[C@@H](CC(C)C)CN(C)C)C1 ZINC000127296802 543984359 /nfs/dbraw/zinc/98/43/59/543984359.db2.gz QEXVETAXLGMJOO-IRXDYDNUSA-N 0 3 354.539 2.301 10 0 FEAEHN O=C(Nc1cccc(CN2CCCCC2)c1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000130632373 544158805 /nfs/dbraw/zinc/15/88/05/544158805.db2.gz JBWJTWFNGKDPQP-IEBWSBKVSA-N 0 3 373.497 2.278 10 0 FEAEHN CCC[C@@H](C(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1)N(C)C ZINC000130988081 544172996 /nfs/dbraw/zinc/17/29/96/544172996.db2.gz DUEXVVGADBOZCQ-JKSUJKDBSA-N 0 3 353.532 2.276 10 0 FEAEHN CNc1c(Cl)ncnc1N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000136038620 544365378 /nfs/dbraw/zinc/36/53/78/544365378.db2.gz WRUKDJBMOSYQQQ-BETUJISGSA-N 0 3 353.898 2.497 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(SC(F)F)nc1 ZINC000136517483 544373923 /nfs/dbraw/zinc/37/39/23/544373923.db2.gz HZQTTYKXCQFOLQ-GFCCVEGCSA-N 0 3 372.441 2.278 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccccc2N2CCCC2)[C@@H](C)C1 ZINC000150796165 544472687 /nfs/dbraw/zinc/47/26/87/544472687.db2.gz UQEDTPMDYSWPLY-RDJZCZTQSA-N 0 3 358.486 2.070 10 0 FEAEHN Cn1ccnc1-c1cccc(NC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000150913049 544485796 /nfs/dbraw/zinc/48/57/96/544485796.db2.gz HZZHVFJGAPEULV-KRWDZBQOSA-N 0 3 357.458 2.055 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CCC(F)(F)F)c2)C1 ZINC000151460325 544543957 /nfs/dbraw/zinc/54/39/57/544543957.db2.gz TZZFGSMCSUHOGI-CQSZACIVSA-N 0 3 357.376 2.283 10 0 FEAEHN COc1ccccc1C(=O)N[C@H](C(=O)N(C)[C@H]1CCCN(C)C1)C(C)C ZINC000151095259 544503867 /nfs/dbraw/zinc/50/38/67/544503867.db2.gz RUINOOGIBLCTDJ-YJBOKZPZSA-N 0 3 361.486 2.002 10 0 FEAEHN C[C@@H](CNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)N1CCOCC1 ZINC000153714348 544813007 /nfs/dbraw/zinc/81/30/07/544813007.db2.gz QADZBYGZPGLVSG-GHTZIAJQSA-N 0 3 374.529 2.061 10 0 FEAEHN Cc1c(I)cccc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000154436152 544906080 /nfs/dbraw/zinc/90/60/80/544906080.db2.gz VWZGANAQEMFGHB-NSHDSACASA-N 0 3 358.223 2.376 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)c2c(F)cccc2I)C1 ZINC000154434320 544906165 /nfs/dbraw/zinc/90/61/65/544906165.db2.gz XNUGGOCNPBBXEN-VIFPVBQESA-N 0 3 362.186 2.206 10 0 FEAEHN Cc1sc2ncc(C(=O)N[C@H](CN(C)C)c3ccccc3)c(=O)n2c1C ZINC000179612771 327651866 /nfs/dbraw/zinc/65/18/66/327651866.db2.gz YQDMXWWUBXGOJP-MRXNPFEDSA-N 0 3 370.478 2.406 10 0 FEAEHN COc1ccc([C@H](C)N[C@H]2CCc3ncnn3C2)cc1Cn1cccn1 ZINC000180593852 327692639 /nfs/dbraw/zinc/69/26/39/327692639.db2.gz ZFSHFHJYBGNZLG-YOEHRIQHSA-N 0 3 352.442 2.197 10 0 FEAEHN C[C@H](NCCS(=O)(=O)c1cccc(Br)c1)[C@H]1CCCO1 ZINC000183110227 327802193 /nfs/dbraw/zinc/80/21/93/327802193.db2.gz VSFJANPTDLGCDZ-SMDDNHRTSA-N 0 3 362.289 2.380 10 0 FEAEHN COC(=O)[C@@H](CC(C)C)NC(=O)CN[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000189898976 328174561 /nfs/dbraw/zinc/17/45/61/328174561.db2.gz WPVSGCBVUXGQCY-CRAIPNDOSA-N 0 3 372.469 2.227 10 0 FEAEHN Cc1coc(-c2cccc(NC(=O)C(=O)N3C[C@H]4CCCN4C[C@@H]3C)c2)n1 ZINC000190085688 328187111 /nfs/dbraw/zinc/18/71/11/328187111.db2.gz SAQKQJWZPAFVJB-WMLDXEAASA-N 0 3 368.437 2.284 10 0 FEAEHN O[C@@H](CN1CCN(CC2CCC3(CC2)OCCO3)CC1)c1ccccc1 ZINC000190218715 328195061 /nfs/dbraw/zinc/19/50/61/328195061.db2.gz WFPWGHFNFZNHTC-FQEVSTJZSA-N 0 3 360.498 2.271 10 0 FEAEHN CCOCc1cccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2CC)c1 ZINC000190336187 328200825 /nfs/dbraw/zinc/20/08/25/328200825.db2.gz AQXHDVBIFUNNGH-QZTJIDSGSA-N 0 3 359.470 2.247 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc2cnn(CC)c2c1 ZINC000190356164 328202382 /nfs/dbraw/zinc/20/23/82/328202382.db2.gz QOGBLXJCXWQGHL-IAGOWNOFSA-N 0 3 369.469 2.080 10 0 FEAEHN CC(C)CNC(=O)[C@H](C)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190503237 328212385 /nfs/dbraw/zinc/21/23/85/328212385.db2.gz BUPLGJJWMQKFSF-IRXDYDNUSA-N 0 3 369.550 2.275 10 0 FEAEHN CCOc1cccnc1C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190593037 328218532 /nfs/dbraw/zinc/21/85/32/328218532.db2.gz FHHNSSXAZPIYLV-KRWDZBQOSA-N 0 3 354.454 2.469 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000191082623 328248975 /nfs/dbraw/zinc/24/89/75/328248975.db2.gz QZENDQKSWRZPIB-GFCCVEGCSA-N 0 3 360.380 2.131 10 0 FEAEHN Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000191935123 328289564 /nfs/dbraw/zinc/28/95/64/328289564.db2.gz MRMNSLUAZHLOGC-INIZCTEOSA-N 0 3 371.485 2.212 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1nc2c(s1)CCCC2 ZINC000192708416 328334552 /nfs/dbraw/zinc/33/45/52/328334552.db2.gz VSPLDJDZWFPVQJ-GFCCVEGCSA-N 0 3 352.504 2.053 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000192936935 328347722 /nfs/dbraw/zinc/34/77/22/328347722.db2.gz FDSFJFZNLNEYMN-IBGZPJMESA-N 0 3 359.495 2.365 10 0 FEAEHN C[C@@H]([NH3+])CCC(=O)Nc1cc(S(=O)(=O)[N-]C(C)(C)C)c(F)cc1F ZINC000193265451 328366077 /nfs/dbraw/zinc/36/60/77/328366077.db2.gz KUBKOYDKXKBSOO-SECBINFHSA-N 0 3 363.430 2.108 10 0 FEAEHN COCCc1nsc(N2CC[C@@H](CN(C)Cc3scnc3C)C2)n1 ZINC000193383721 328371975 /nfs/dbraw/zinc/37/19/75/328371975.db2.gz ILIJQESSWIKANZ-ZDUSSCGKSA-N 0 3 367.544 2.450 10 0 FEAEHN CN(C)C[C@H](NC(=O)N[C@H]1CCCN(c2ncccn2)C1)c1ccccc1 ZINC000045185818 324571470 /nfs/dbraw/zinc/57/14/70/324571470.db2.gz MRIIHKFOSCTREQ-ROUUACIJSA-N 0 3 368.485 2.048 10 0 FEAEHN CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@@H](N)c1ccccc1 ZINC000236759598 328493564 /nfs/dbraw/zinc/49/35/64/328493564.db2.gz AMSDIHALKQALIL-MSOLQXFVSA-N 0 3 357.429 2.396 10 0 FEAEHN CCC[C@H](N)C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000236821269 328495232 /nfs/dbraw/zinc/49/52/32/328495232.db2.gz WAWZHYWGQLDTES-AWEZNQCLSA-N 0 3 358.269 2.405 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000079456091 325091331 /nfs/dbraw/zinc/09/13/31/325091331.db2.gz GTBUEYWVYOTBFM-UONOGXRCSA-N 0 3 352.445 2.146 10 0 FEAEHN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000083571290 325219327 /nfs/dbraw/zinc/21/93/27/325219327.db2.gz UGKKJFMMYNWBDU-INIZCTEOSA-N 0 3 372.473 2.492 10 0 FEAEHN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCCN(C)Cc1ccccc1 ZINC000083696166 325221909 /nfs/dbraw/zinc/22/19/09/325221909.db2.gz TYGXDSNDBOPLPI-QGZVFWFLSA-N 0 3 356.474 2.243 10 0 FEAEHN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCN(C)Cc1ccccc1 ZINC000087032518 325271112 /nfs/dbraw/zinc/27/11/12/325271112.db2.gz OWCKFOQUDOBAMW-KRWDZBQOSA-N 0 3 370.501 2.497 10 0 FEAEHN C[C@@H](NC[C@H]1CN(C)CCO1)c1ccc(I)cc1 ZINC000091667741 325389565 /nfs/dbraw/zinc/38/95/65/325389565.db2.gz KRJRHMYEHGCGGL-RISCZKNCSA-N 0 3 360.239 2.272 10 0 FEAEHN CCCC(=O)N[C@H]1CCCN(C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000101791583 325480812 /nfs/dbraw/zinc/48/08/12/325480812.db2.gz CPHAYSKJUNPMML-SFHVURJKSA-N 0 3 360.502 2.339 10 0 FEAEHN NS(=O)(=O)c1cccc(NC(=O)CCN2CCC[C@@H]2c2ccco2)c1 ZINC000116298270 326004938 /nfs/dbraw/zinc/00/49/38/326004938.db2.gz ZXNAOTGSAKVMPS-OAHLLOKOSA-N 0 3 363.439 2.093 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Cc2csc(-c3cccc(F)c3)n2)CCO1 ZINC000116792048 326036096 /nfs/dbraw/zinc/03/60/96/326036096.db2.gz ZTTMZISOKVMMCB-INIZCTEOSA-N 0 3 363.458 2.281 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2ccc(COc3ccc(F)cc3)o2)CCO1 ZINC000116797642 326036596 /nfs/dbraw/zinc/03/65/96/326036596.db2.gz NCNAOFOZMCKILP-KRWDZBQOSA-N 0 3 362.401 2.400 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC000119664086 326185630 /nfs/dbraw/zinc/18/56/30/326185630.db2.gz VVTBZOOLRLFROR-QGZVFWFLSA-N 0 3 367.515 2.222 10 0 FEAEHN C[C@@H](NC(=O)N1CCN(CCC(C)(C)C)CC1)c1nnc2n1CCCC2 ZINC000121406258 326336401 /nfs/dbraw/zinc/33/64/01/326336401.db2.gz VOYUJXLLBZOBMO-OAHLLOKOSA-N 0 3 362.522 2.439 10 0 FEAEHN CC[C@H](NC(=O)N1CC[C@H](N(C)C)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000121908858 326375134 /nfs/dbraw/zinc/37/51/34/326375134.db2.gz ZATQOJWJTXFTHI-UFYCRDLUSA-N 0 3 374.529 2.012 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)CCO1 ZINC000124950969 326462846 /nfs/dbraw/zinc/46/28/46/326462846.db2.gz CPXBDJZAEJMSMX-HXUWFJFHSA-N 0 3 368.481 2.217 10 0 FEAEHN CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@@H](CC(C)C)CN(C)C)C1 ZINC000132017767 326585770 /nfs/dbraw/zinc/58/57/70/326585770.db2.gz LVXCZTVCSCCNLI-IRXDYDNUSA-N 0 3 354.539 2.157 10 0 FEAEHN C[C@@H](NC(=O)N[C@H](Cc1ccccc1)CN(C)C)c1nnc2n1CCCC2 ZINC000137179229 326658666 /nfs/dbraw/zinc/65/86/66/326658666.db2.gz ALOHPKXGOXTIHY-NVXWUHKLSA-N 0 3 370.501 2.148 10 0 FEAEHN Cc1cccc([C@H](NC(=O)N2CCO[C@H](CN(C)C)C2)c2ccccn2)c1 ZINC000153082304 326723467 /nfs/dbraw/zinc/72/34/67/326723467.db2.gz WUAZQGLVJURNAS-QUCCMNQESA-N 0 3 368.481 2.451 10 0 FEAEHN Cc1nn(C)c(Cl)c1CN(C)C1CCN(CCn2cccn2)CC1 ZINC000155114588 326778233 /nfs/dbraw/zinc/77/82/33/326778233.db2.gz MXIVYJGZDAFGCU-UHFFFAOYSA-N 0 3 350.898 2.175 10 0 FEAEHN C[C@@H](NC(=O)c1ccco1)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000155197176 326780899 /nfs/dbraw/zinc/78/08/99/326780899.db2.gz UZBUXZSEBFYPBG-CABCVRRESA-N 0 3 370.453 2.135 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](N[C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000162259334 327021062 /nfs/dbraw/zinc/02/10/62/327021062.db2.gz AGNWAKBCLAYLSU-UGFHNGPFSA-N 0 3 354.292 2.294 10 0 FEAEHN CCN1CCC[C@H](NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)C1 ZINC000164064823 327064211 /nfs/dbraw/zinc/06/42/11/327064211.db2.gz AGPLFJYHDSARIM-HNNXBMFYSA-N 0 3 359.499 2.473 10 0 FEAEHN CC[C@@H](C(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1)N(C)C ZINC000164276509 327067725 /nfs/dbraw/zinc/06/77/25/327067725.db2.gz UFTUBURGZPYIME-KRWDZBQOSA-N 0 3 356.470 2.326 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000170827911 327100905 /nfs/dbraw/zinc/10/09/05/327100905.db2.gz IGMRXUIHZAMLFL-MRXNPFEDSA-N 0 3 356.426 2.377 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)C1 ZINC000170862768 327103426 /nfs/dbraw/zinc/10/34/26/327103426.db2.gz ALTJHRQZKIKIRH-IAGOWNOFSA-N 0 3 371.506 2.252 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)c2ccc(F)cc2I)C1 ZINC000170866261 327104002 /nfs/dbraw/zinc/10/40/02/327104002.db2.gz KXQFQKGZUOQRES-JTQLQIEISA-N 0 3 362.186 2.206 10 0 FEAEHN CCN(CC)C(=O)COc1cccc(NC(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000171075266 327116090 /nfs/dbraw/zinc/11/60/90/327116090.db2.gz ZOAJILPUAJHSQN-INIZCTEOSA-N 0 3 362.474 2.102 10 0 FEAEHN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000171445932 327140053 /nfs/dbraw/zinc/14/00/53/327140053.db2.gz LKVBNWZEBDPRJX-HOTGVXAUSA-N 0 3 351.491 2.330 10 0 FEAEHN Cc1noc([C@H](C)N2CCN(C(=O)Nc3cccc(CN(C)C)c3)CC2)n1 ZINC000171806437 327162624 /nfs/dbraw/zinc/16/26/24/327162624.db2.gz WOSONUMXBFTALE-AWEZNQCLSA-N 0 3 372.473 2.350 10 0 FEAEHN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000171807361 327162635 /nfs/dbraw/zinc/16/26/35/327162635.db2.gz TULCCOPRSGYHHP-SFHVURJKSA-N 0 3 357.502 2.059 10 0 FEAEHN CCN1CCN(c2ccccc2NC(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000171807566 327162722 /nfs/dbraw/zinc/16/27/22/327162722.db2.gz MAELXODYFFZSSK-QGZVFWFLSA-N 0 3 357.502 2.140 10 0 FEAEHN Cc1cnn(C[C@@H]2CN(C(=O)Nc3cccc(CN(C)C)c3)CCO2)c1 ZINC000171837189 327164693 /nfs/dbraw/zinc/16/46/93/327164693.db2.gz NBAFLMOJUQTCEI-SFHVURJKSA-N 0 3 357.458 2.186 10 0 FEAEHN Cn1ncc2c1ncnc2NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000171986636 327174542 /nfs/dbraw/zinc/17/45/42/327174542.db2.gz MOWKNNZAOAKOOX-GOSISDBHSA-N 0 3 366.469 2.221 10 0 FEAEHN CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C(C)C)N2CCCCC2)ncn1 ZINC000173436674 327257013 /nfs/dbraw/zinc/25/70/13/327257013.db2.gz SRJKBGBOONKAPJ-LPHOPBHVSA-N 0 3 374.533 2.114 10 0 FEAEHN O=C(CC1(O)CCCC1)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000173468185 327259332 /nfs/dbraw/zinc/25/93/32/327259332.db2.gz UPSUIXUWFDUTSI-IBGZPJMESA-N 0 3 360.498 2.243 10 0 FEAEHN C[C@H](C(=O)N1CCO[C@@H](CN(C)C)C1)c1ccc(Br)s1 ZINC000173521814 327263241 /nfs/dbraw/zinc/26/32/41/327263241.db2.gz ULGLYCCJFJVDOV-QWRGUYRKSA-N 0 3 361.305 2.403 10 0 FEAEHN COCCN1CCN(C(=O)c2oc3ccccc3c2CN(C)C)C[C@@H]1C ZINC000173663623 327274703 /nfs/dbraw/zinc/27/47/03/327274703.db2.gz WDVXITVSHWDCQS-HNNXBMFYSA-N 0 3 359.470 2.287 10 0 FEAEHN Cc1cc(C(=O)N2CCO[C@@H](CN(C)C)C2)ccc1NC(=O)CC(C)C ZINC000173792358 327284461 /nfs/dbraw/zinc/28/44/61/327284461.db2.gz HLVWUKFGGXYNGU-KRWDZBQOSA-N 0 3 361.486 2.382 10 0 FEAEHN Clc1ccc(-c2noc(CCN3CC[C@@H](N4CCOCC4)C3)n2)cc1 ZINC000173922140 327294586 /nfs/dbraw/zinc/29/45/86/327294586.db2.gz QRVGLUQULMCMKJ-MRXNPFEDSA-N 0 3 362.861 2.339 10 0 FEAEHN Clc1cccc(-c2noc(CCN3CC[C@@H](N4CCOCC4)C3)n2)c1 ZINC000173952627 327297231 /nfs/dbraw/zinc/29/72/31/327297231.db2.gz CLFQJINJWICITJ-MRXNPFEDSA-N 0 3 362.861 2.339 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)c3cc4ccccn4c3)CC2)nc1 ZINC000174863066 327356007 /nfs/dbraw/zinc/35/60/07/327356007.db2.gz PEMKFCHGXXAJLD-UHFFFAOYSA-N 0 3 363.465 2.358 10 0 FEAEHN CCN1CCC[C@H]1CN(C)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000175331998 327387613 /nfs/dbraw/zinc/38/76/13/327387613.db2.gz KBWXUSUVJPLXFL-ICSRJNTNSA-N 0 3 358.530 2.045 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)CCc2ccc(Br)cc2)CCO1 ZINC000176410039 327454053 /nfs/dbraw/zinc/45/40/53/327454053.db2.gz RMAAUZREYMKCAR-HNNXBMFYSA-N 0 3 355.276 2.171 10 0 FEAEHN CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CCCn3ncnc32)CC1 ZINC000176595507 327465088 /nfs/dbraw/zinc/46/50/88/327465088.db2.gz IHGAVIYFBHSBOF-MRXNPFEDSA-N 0 3 358.446 2.012 10 0 FEAEHN Cc1cc(CC(=O)N(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)no1 ZINC000177461869 327524077 /nfs/dbraw/zinc/52/40/77/327524077.db2.gz LBSSXFRQWAVHOJ-HXUWFJFHSA-N 0 3 371.481 2.430 10 0 FEAEHN Cc1nn(C)cc1C(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000177469470 327524981 /nfs/dbraw/zinc/52/49/81/327524981.db2.gz YCCGFBNBQVFAJI-HXUWFJFHSA-N 0 3 370.497 2.246 10 0 FEAEHN COc1ccc(F)cc1-c1csc(NC(=O)C2(N)CCOCC2)n1 ZINC000261822875 328822158 /nfs/dbraw/zinc/82/21/58/328822158.db2.gz KLPBBEQPOIMTRW-UHFFFAOYSA-N 0 3 351.403 2.404 10 0 FEAEHN C[C@H](C1CC1)n1[n-]cc/c1=N\C(=O)CN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000262116286 328843435 /nfs/dbraw/zinc/84/34/35/328843435.db2.gz BLNXVWHPJYBRLA-BVMSFMQGSA-N 0 3 371.460 2.000 10 0 FEAEHN CCC[C@H](N)C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 ZINC000262217222 328851939 /nfs/dbraw/zinc/85/19/39/328851939.db2.gz ZBBUXYRTWPWINH-KCXAZCMYSA-N 0 3 371.884 2.485 10 0 FEAEHN Cc1ccc2nc(CSCc3nc([C@H]4CNCCN4C)no3)cn2c1 ZINC000263209139 328925240 /nfs/dbraw/zinc/92/52/40/328925240.db2.gz KCGOAFXYAFMSLA-CQSZACIVSA-N 0 3 358.471 2.035 10 0 FEAEHN Cc1ccc(CN2C[C@H](C(=O)N3C[C@H]4CCCN4C[C@H]3C)CC2=O)cc1 ZINC000247559566 549357810 /nfs/dbraw/zinc/35/78/10/549357810.db2.gz ZXZMYIXLCXTOGS-BHIYHBOVSA-N 0 3 355.482 2.039 10 0 FEAEHN Cc1ccc(OC[C@H](O)CN(C)[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000247562980 549358643 /nfs/dbraw/zinc/35/86/43/549358643.db2.gz GFYIZMBHNDMGLQ-ZWKOTPCHSA-N 0 3 356.470 2.126 10 0 FEAEHN CN(C)C[C@H]1CN(CC(=O)N(Cc2ccccc2)c2ccccc2)CCO1 ZINC000155321072 545510765 /nfs/dbraw/zinc/51/07/65/545510765.db2.gz MUXBZCPBRNLJRI-NRFANRHFSA-N 0 3 367.493 2.482 10 0 FEAEHN COc1cc(F)c(NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C)cc1F ZINC000157234099 545716517 /nfs/dbraw/zinc/71/65/17/545716517.db2.gz JKKPJFNRGUQZGX-NSHDSACASA-N 0 3 357.401 2.004 10 0 FEAEHN C[C@@H](N[C@@H](C)c1ccc(-n2cnnn2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000159086518 545920310 /nfs/dbraw/zinc/92/03/10/545920310.db2.gz KATXAALSIGWSNE-UONOGXRCSA-N 0 3 371.466 2.478 10 0 FEAEHN CCc1noc(-c2ccc(CCNC(=O)N3CC[C@@H](N(C)C)C3)cc2)n1 ZINC000170837047 546179745 /nfs/dbraw/zinc/17/97/45/546179745.db2.gz FXRSLZMFSRBFGC-MRXNPFEDSA-N 0 3 357.458 2.187 10 0 FEAEHN CN(C(=O)Nc1cnn(CC2CC2)c1)C1CCN(CCn2cccn2)CC1 ZINC000174472424 546297360 /nfs/dbraw/zinc/29/73/60/546297360.db2.gz YWJHUNFNCGGRSF-UHFFFAOYSA-N 0 3 371.489 2.118 10 0 FEAEHN O=C(NCCC1CCN(CC(F)(F)F)CC1)N1CCN2CCC[C@H]2C1 ZINC000175930122 546375025 /nfs/dbraw/zinc/37/50/25/546375025.db2.gz ZUDNEAPUCLIAEE-HNNXBMFYSA-N 0 3 362.440 2.140 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000176305704 546430236 /nfs/dbraw/zinc/43/02/36/546430236.db2.gz BFTUIGZLDRSDDQ-GOSISDBHSA-N 0 3 374.485 2.107 10 0 FEAEHN CCS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000176338109 546433028 /nfs/dbraw/zinc/43/30/28/546433028.db2.gz ABZAIQAVEMPFAD-XJKSGUPXSA-N 0 3 353.488 2.330 10 0 FEAEHN CN(C(=O)N[C@H]1CCCn2ncnc21)C1CCN(Cc2ccccc2)CC1 ZINC000176596933 546465893 /nfs/dbraw/zinc/46/58/93/546465893.db2.gz BCSHUOTWHBKKDD-SFHVURJKSA-N 0 3 368.485 2.419 10 0 FEAEHN CC(C)OCCN1CCC(NC(=O)N2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000176616493 546467468 /nfs/dbraw/zinc/46/74/68/546467468.db2.gz BKKAUCZUIOIQAY-GOSISDBHSA-N 0 3 363.506 2.156 10 0 FEAEHN COc1ccc(Cl)cc1NC(=O)CCNC(=O)N1CC[C@H](N(C)C)C1 ZINC000176629857 546470101 /nfs/dbraw/zinc/47/01/01/546470101.db2.gz CYEKGCOVLKHWIU-ZDUSSCGKSA-N 0 3 368.865 2.023 10 0 FEAEHN CN(C)C[C@@H]1CN(CCC(=O)Nc2cccc(C(F)(F)F)c2)CCO1 ZINC000176818283 546492441 /nfs/dbraw/zinc/49/24/41/546492441.db2.gz HIMOGSYKNPDRCT-OAHLLOKOSA-N 0 3 359.392 2.296 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O ZINC000176985668 546519425 /nfs/dbraw/zinc/51/94/25/546519425.db2.gz XQXOETHJHVEJRO-MAUKXSAKSA-N 0 3 371.481 2.250 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000177000288 546521087 /nfs/dbraw/zinc/52/10/87/546521087.db2.gz YIYZLVWVHJAVEQ-UXHICEINSA-N 0 3 371.525 2.410 10 0 FEAEHN Cc1cc(=O)oc2cc(OCCN3C[C@@H](C)[C@H](N4CCOCC4)C3)ccc12 ZINC000177251236 546579894 /nfs/dbraw/zinc/57/98/94/546579894.db2.gz ISVHLRNZFDIMQG-VQIMIIECSA-N 0 3 372.465 2.133 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC1CCN(C(=O)c2ccco2)CC1 ZINC000177339539 546597825 /nfs/dbraw/zinc/59/78/25/546597825.db2.gz QEEKJLFVZDLEAP-INIZCTEOSA-N 0 3 362.474 2.010 10 0 FEAEHN CCN(Cc1ccccc1)C(=O)CNC(=O)N(C)C[C@@H]1CCCN1CC ZINC000177432619 546616221 /nfs/dbraw/zinc/61/62/21/546616221.db2.gz XPXLVYZJCVXAFT-SFHVURJKSA-N 0 3 360.502 2.161 10 0 FEAEHN CCc1cc(C(=O)N(C)CC2CCN(C[C@H](O)c3ccccc3)CC2)[nH]n1 ZINC000177462756 546623868 /nfs/dbraw/zinc/62/38/68/546623868.db2.gz NYNHFEFWPXKEAQ-FQEVSTJZSA-N 0 3 370.497 2.490 10 0 FEAEHN COCCN1CCC[C@H]1CNC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000177508990 546634231 /nfs/dbraw/zinc/63/42/31/546634231.db2.gz XILYGUBGUHUNRN-GJZGRUSLSA-N 0 3 365.478 2.150 10 0 FEAEHN O=C(Nc1ccccc1CC(F)(F)F)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177684194 546666156 /nfs/dbraw/zinc/66/61/56/546666156.db2.gz BHARGSLBSBFHGA-CYBMUJFWSA-N 0 3 355.360 2.037 10 0 FEAEHN CN1CC[C@H](NC(=O)N2CCN3CCC[C@@H]3C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179548088 546975434 /nfs/dbraw/zinc/97/54/34/546975434.db2.gz JJGGPZXPBOCRHI-JLSDUUJJSA-N 0 3 364.440 2.200 10 0 FEAEHN CCC[C@H](C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1)N(C)C ZINC000179631541 546989164 /nfs/dbraw/zinc/98/91/64/546989164.db2.gz WVGSOHJCLDEQKC-QGZVFWFLSA-N 0 3 365.905 2.284 10 0 FEAEHN CCc1ccnc(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)c1 ZINC000180220378 547069099 /nfs/dbraw/zinc/06/90/99/547069099.db2.gz RTJZFSFUGCQMAX-UHFFFAOYSA-N 0 3 353.470 2.063 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(Cn2ccnn2)CC1 ZINC000181279025 547285088 /nfs/dbraw/zinc/28/50/88/547285088.db2.gz KNCSWBNISRMEOW-KRWDZBQOSA-N 0 3 370.501 2.220 10 0 FEAEHN CC(C)c1nnc2n1C[C@H](NC(=O)NCC(C)(C)N1CCCCC1)CC2 ZINC000181396304 547306569 /nfs/dbraw/zinc/30/65/69/547306569.db2.gz XFSHNYJYKUZIKI-OAHLLOKOSA-N 0 3 362.522 2.280 10 0 FEAEHN CC(C)c1nnc2n1C[C@H](NC(=O)NCCN(C)Cc1ccccc1)CC2 ZINC000181509523 547326027 /nfs/dbraw/zinc/32/60/27/547326027.db2.gz DLURBHIOHMASCN-QGZVFWFLSA-N 0 3 370.501 2.148 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000182080813 547434221 /nfs/dbraw/zinc/43/42/21/547434221.db2.gz PGZOODNJTGAMPC-NWDGAFQWSA-N 0 3 363.405 2.348 10 0 FEAEHN C[C@H](NCC(=O)Nc1cccc(CN2CCSCC2)c1)[C@H]1CCCO1 ZINC000183144873 547609851 /nfs/dbraw/zinc/60/98/51/547609851.db2.gz DVADCZFDRQADAU-MAUKXSAKSA-N 0 3 363.527 2.331 10 0 FEAEHN CCN1CCN(c2cccc(NC(=O)N[C@H]3CCCN(CC)C3)c2)CC1 ZINC000184910021 547898438 /nfs/dbraw/zinc/89/84/38/547898438.db2.gz HLGOAQVYEFGLFF-SFHVURJKSA-N 0 3 359.518 2.434 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000185744382 548028113 /nfs/dbraw/zinc/02/81/13/548028113.db2.gz GZGNPVDTBLZJAB-QPIRBTGLSA-N 0 3 360.502 2.338 10 0 FEAEHN O=C(NCCc1ccc(OCC(F)(F)F)nc1)N1CCN2CCC[C@H]2C1 ZINC000186137475 548090669 /nfs/dbraw/zinc/09/06/69/548090669.db2.gz HKELRVKGVKTEAV-AWEZNQCLSA-N 0 3 372.391 2.055 10 0 FEAEHN O=C(NCCN1CCCOCC1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000187053949 548247737 /nfs/dbraw/zinc/24/77/37/548247737.db2.gz ZNOBBPZIVGYBBX-FQEVSTJZSA-N 0 3 374.529 2.063 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCOC2)C1 ZINC000190699088 548332044 /nfs/dbraw/zinc/33/20/44/548332044.db2.gz UYFUZZFRDZYCFJ-HOTGVXAUSA-N 0 3 366.531 2.341 10 0 FEAEHN Cc1nc(CN2CCCN(C(=O)C3CCN(C4CC4)CC3)CC2)cs1 ZINC000194580008 548501447 /nfs/dbraw/zinc/50/14/47/548501447.db2.gz UDISGRZUJZAICB-UHFFFAOYSA-N 0 3 362.543 2.360 10 0 FEAEHN Cc1csc(=O)n1CCN1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000195253899 548604142 /nfs/dbraw/zinc/60/41/42/548604142.db2.gz LVYXQXDTKINOMC-HNNXBMFYSA-N 0 3 366.556 2.437 10 0 FEAEHN CO[C@H](C)c1noc(CN2CC[C@@H](CN(C)Cc3scnc3C)C2)n1 ZINC000195267898 548607252 /nfs/dbraw/zinc/60/72/52/548607252.db2.gz DZAFRRRIAKXNKI-KGLIPLIRSA-N 0 3 365.503 2.496 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000195267889 548607595 /nfs/dbraw/zinc/60/75/95/548607595.db2.gz AKWNITMTWLMKNH-HZPDHXFCSA-N 0 3 350.532 2.215 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(CC(=O)NCc2ccc(F)cc2)C1 ZINC000195292554 548614322 /nfs/dbraw/zinc/61/43/22/548614322.db2.gz RPPCTNXKKVIOCW-IBGZPJMESA-N 0 3 370.472 2.291 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(Cc2cc(=O)n3ccsc3n2)C1 ZINC000195299286 548616439 /nfs/dbraw/zinc/61/64/39/548616439.db2.gz ACDXKAAGMNSGLV-INIZCTEOSA-N 0 3 369.494 2.105 10 0 FEAEHN C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[C@H](CN(C)Cc3cccnc3)C2)C1 ZINC000195301368 548617002 /nfs/dbraw/zinc/61/70/02/548617002.db2.gz MVBRSTBTHVCCAN-WSTZPKSXSA-N 0 3 358.530 2.340 10 0 FEAEHN O=C(Nc1cccc(C(=O)N2CCN3CCC[C@H]3C2)c1)c1cccnc1 ZINC000195330707 548625644 /nfs/dbraw/zinc/62/56/44/548625644.db2.gz QLMAPDMUHIZEQG-SFHVURJKSA-N 0 3 350.422 2.254 10 0 FEAEHN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCN4CCC[C@@H]4C3)C2)cc1 ZINC000195330553 548625924 /nfs/dbraw/zinc/62/59/24/548625924.db2.gz OUBMCMDPGVCWGT-RTBURBONSA-N 0 3 355.482 2.154 10 0 FEAEHN C[C@@H]1CN(Cc2ccc(C(=O)N3CCN4CCC[C@@H]4C3)cc2)C[C@@H](C)O1 ZINC000195330602 548625987 /nfs/dbraw/zinc/62/59/87/548625987.db2.gz FZUGKFRPTQFQQJ-MBOZVWFJSA-N 0 3 357.498 2.216 10 0 FEAEHN CCC[C@H](N)C(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000236821308 548782779 /nfs/dbraw/zinc/78/27/79/548782779.db2.gz OADVFWIRFUQPAY-AWEZNQCLSA-N 0 3 357.376 2.117 10 0 FEAEHN CCC[C@H](N)C(=O)N[C@H](CC)c1ccccc1OCC(=O)N1CCCC1 ZINC000236923698 548789232 /nfs/dbraw/zinc/78/92/32/548789232.db2.gz ZLIVEVIHGYEDJZ-DLBZAZTESA-N 0 3 361.486 2.383 10 0 FEAEHN CCN(C[C@@H](O)COC(C)C)C[C@H]1CC(c2ccc(OC)cc2)=NO1 ZINC000245329084 548901701 /nfs/dbraw/zinc/90/17/01/548901701.db2.gz QPSWYYRIHKXDNZ-SJLPKXTDSA-N 0 3 350.459 2.296 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)[C@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000245470253 548929266 /nfs/dbraw/zinc/92/92/66/548929266.db2.gz MROLKELBWLSWBS-ZIAGYGMSSA-N 0 3 350.438 2.278 10 0 FEAEHN COC(=O)[C@H](C)Oc1ccc(CN2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000245511490 548937500 /nfs/dbraw/zinc/93/75/00/548937500.db2.gz YGOSCDKCZPKDGY-DOTOQJQBSA-N 0 3 358.442 2.131 10 0 FEAEHN C[C@@H]1CN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C[C@@H]1N1CCOCC1 ZINC000245736854 548985202 /nfs/dbraw/zinc/98/52/02/548985202.db2.gz FSOXWNXCUQGJKG-BJZITVGISA-N 0 3 363.889 2.486 10 0 FEAEHN COCCO[C@H]1CCCN(C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000245900316 549014250 /nfs/dbraw/zinc/01/42/50/549014250.db2.gz PUSRMMPPBPXGAT-MSOLQXFVSA-N 0 3 357.878 2.345 10 0 FEAEHN COc1ccc([C@@H]2CCCN2C(=O)CN2CCN3CCC[C@H]3C2)cc1OC ZINC000245932477 549024068 /nfs/dbraw/zinc/02/40/68/549024068.db2.gz QMUGMSPLBLNMBK-ROUUACIJSA-N 0 3 373.497 2.147 10 0 FEAEHN C[C@@H](CNc1cc(N2CCC[C@H]2CO)ncn1)N(C)Cc1ccccc1 ZINC000246053494 549042391 /nfs/dbraw/zinc/04/23/91/549042391.db2.gz DWGATOJKMPOAQB-WMZOPIPTSA-N 0 3 355.486 2.370 10 0 FEAEHN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CCN3CCC[C@H]3C1)CC2 ZINC000246076737 549046201 /nfs/dbraw/zinc/04/62/01/549046201.db2.gz FSGFQTBZXHLCOZ-STQMWFEESA-N 0 3 368.403 2.215 10 0 FEAEHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)N[C@H]2CCCN(CC)C2)C1 ZINC000246080136 549048184 /nfs/dbraw/zinc/04/81/84/549048184.db2.gz DJBQMWZTARVEOC-ZACQAIPSSA-N 0 3 352.523 2.197 10 0 FEAEHN CCN1CC[C@H](NC(=O)NCCN(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246106430 549053332 /nfs/dbraw/zinc/05/33/32/549053332.db2.gz PEWGEHMHCYSINB-JKSUJKDBSA-N 0 3 356.873 2.475 10 0 FEAEHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H](C(=O)NC)C(C)C ZINC000246226844 549083845 /nfs/dbraw/zinc/08/38/45/549083845.db2.gz QOKPVDATCBDXDK-RTBURBONSA-N 0 3 374.529 2.311 10 0 FEAEHN CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000246422742 549129949 /nfs/dbraw/zinc/12/99/49/549129949.db2.gz MQVOQNZEUYZWKL-DOMZBBRYSA-N 0 3 351.422 2.008 10 0 FEAEHN CN1C(=O)CC[C@H](C(=O)N2CC[C@@H](N3CCCC3)C2)[C@H]1c1ccccc1 ZINC000246504658 549148851 /nfs/dbraw/zinc/14/88/51/549148851.db2.gz CBDOUHDXGDSDQI-WSTZPKSXSA-N 0 3 355.482 2.293 10 0 FEAEHN C[C@H](OC[C@@H](O)CN1CCO[C@@H](CN(C)C)C1)c1ccc(Cl)cc1 ZINC000246588485 549168834 /nfs/dbraw/zinc/16/88/34/549168834.db2.gz SSRFYXJVBVHEQE-WBAXXEDZSA-N 0 3 356.894 2.041 10 0 FEAEHN COc1cccc(N2CCN(C(=O)N[C@@H]3CN(C(C)C)C[C@@H]3C)CC2)c1 ZINC000246991788 549259160 /nfs/dbraw/zinc/25/91/60/549259160.db2.gz GNTPNVPRVHWDLD-QFBILLFUSA-N 0 3 360.502 2.256 10 0 FEAEHN O=C(C[C@H]1CCCN1C[C@@H](O)COC1CCOCC1)c1ccc(F)cc1 ZINC000246994433 549259909 /nfs/dbraw/zinc/25/99/09/549259909.db2.gz WPXPFHGTSUKYGY-QZTJIDSGSA-N 0 3 365.445 2.419 10 0 FEAEHN CC(=O)Nc1ccc(OC[C@H](O)CN2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000247001013 549261664 /nfs/dbraw/zinc/26/16/64/549261664.db2.gz KRYYFRBQKUJCQF-RTBURBONSA-N 0 3 372.469 2.054 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000247050151 549272512 /nfs/dbraw/zinc/27/25/12/549272512.db2.gz GXMDMTZDWFCXAZ-YZGWKJHDSA-N 0 3 369.509 2.163 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)C1 ZINC000247328200 549319095 /nfs/dbraw/zinc/31/90/95/549319095.db2.gz MEYXBJXUWROPOX-HKUYNNGSSA-N 0 3 372.513 2.322 10 0 FEAEHN Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC[C@@H](Cn2cncn2)C1 ZINC000247596962 549364727 /nfs/dbraw/zinc/36/47/27/549364727.db2.gz KJMOSMHGNWCETA-QZTJIDSGSA-N 0 3 355.486 2.046 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000247659133 549369890 /nfs/dbraw/zinc/36/98/90/549369890.db2.gz ZIOLTIVBBUNIEC-HIFRSBDPSA-N 0 3 364.877 2.229 10 0 FEAEHN Cc1nc(COc2cccc(C(=O)N[C@H]3CN(C(C)C)C[C@H]3C)c2)no1 ZINC000248132145 549409638 /nfs/dbraw/zinc/40/96/38/549409638.db2.gz WRVOFAWURVNMSV-DYVFJYSZSA-N 0 3 358.442 2.416 10 0 FEAEHN CCOC(=O)C(C)(C)n1cc(NC(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cn1 ZINC000248155172 549411590 /nfs/dbraw/zinc/41/15/90/549411590.db2.gz RHPDJSCLNCLMEG-HIFRSBDPSA-N 0 3 365.478 2.032 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)C1 ZINC000248146612 549412032 /nfs/dbraw/zinc/41/20/32/549412032.db2.gz ZUAQPESHSYZRDA-DOEAQHAXSA-N 0 3 361.461 2.190 10 0 FEAEHN C[C@H](O)CN1CCN(Cc2nc3ccc(Br)cc3[nH]2)C[C@H]1C ZINC000248396699 549428081 /nfs/dbraw/zinc/42/80/81/549428081.db2.gz KNWZCSWXIUJROT-NEPJUHHUSA-N 0 3 367.291 2.212 10 0 FEAEHN Cc1noc(-c2ccccc2)c1NC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000248609946 549468367 /nfs/dbraw/zinc/46/83/67/549468367.db2.gz WWPWEKPOEMZKNZ-CZUORRHYSA-N 0 3 370.453 2.433 10 0 FEAEHN Cc1ccccc1CN1CCCN(C(=O)CN[C@H](C)[C@H]2CCCO2)CC1 ZINC000248629620 549471479 /nfs/dbraw/zinc/47/14/79/549471479.db2.gz WAVGIFGLJCSKGV-UYAOXDASSA-N 0 3 359.514 2.186 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN([C@H](C)C(=O)N(C)C(C)C)C1 ZINC000248661773 549479488 /nfs/dbraw/zinc/47/94/88/549479488.db2.gz XNRWEPLJBWXZCV-HZPDHXFCSA-N 0 3 352.548 2.461 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(Cl)c(OC)c1 ZINC000248681242 549483252 /nfs/dbraw/zinc/48/32/52/549483252.db2.gz OQWUVYFUECNVGR-KGLIPLIRSA-N 0 3 365.861 2.372 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cnn(C2CCCC2)c1C ZINC000248755944 549496644 /nfs/dbraw/zinc/49/66/44/549496644.db2.gz WHCBPXSIADUPRG-RDJZCZTQSA-N 0 3 373.501 2.330 10 0 FEAEHN COC(=O)c1ccc(NC(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c(N(C)C)c1 ZINC000248818908 549506837 /nfs/dbraw/zinc/50/68/37/549506837.db2.gz VDWJVZLDZNSRHT-XJKSGUPXSA-N 0 3 362.474 2.389 10 0 FEAEHN C[C@H]1C(=O)NCCCN1C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000249032450 549540223 /nfs/dbraw/zinc/54/02/23/549540223.db2.gz LVJKZWLWBOJNOG-JKSUJKDBSA-N 0 3 351.450 2.366 10 0 FEAEHN Cc1ccc2cccc(NC(=O)C(=O)N3C[C@@H]4CCCN4C[C@H]3C)c2n1 ZINC000249107211 549552894 /nfs/dbraw/zinc/55/28/94/549552894.db2.gz ACQRELJSCTWBAP-ZBFHGGJFSA-N 0 3 352.438 2.177 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000249119306 549556348 /nfs/dbraw/zinc/55/63/48/549556348.db2.gz BPCIKPAUNLENTF-DOMZBBRYSA-N 0 3 369.387 2.425 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C2CCCCC2)nn1C ZINC000249147086 549560547 /nfs/dbraw/zinc/56/05/47/549560547.db2.gz GMJNJZXMPVXVHJ-ZBFHGGJFSA-N 0 3 373.501 2.101 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cnc(Cl)c(C)c1 ZINC000249151241 549561665 /nfs/dbraw/zinc/56/16/65/549561665.db2.gz HIUBNLQXTUHQGW-KBPBESRZSA-N 0 3 350.850 2.067 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000249203048 549567868 /nfs/dbraw/zinc/56/78/68/549567868.db2.gz RGWDNYUMXUXAIR-HOCLYGCPSA-N 0 3 372.469 2.037 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc2cnn(CC)c2c1 ZINC000249198686 549568119 /nfs/dbraw/zinc/56/81/19/549568119.db2.gz QOGBLXJCXWQGHL-IRXDYDNUSA-N 0 3 369.469 2.080 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000249764309 549626919 /nfs/dbraw/zinc/62/69/19/549626919.db2.gz NPMOXARHQCRMGW-GDBMZVCRSA-N 0 3 367.515 2.277 10 0 FEAEHN C[C@@H]1CN(Cc2ccc(C(=O)N3CCN4CCC[C@H]4C3)cc2)C[C@@H](C)O1 ZINC000249820573 549631373 /nfs/dbraw/zinc/63/13/73/549631373.db2.gz FZUGKFRPTQFQQJ-HLIPFELVSA-N 0 3 357.498 2.216 10 0 FEAEHN C[C@@H]1CN(Cc2ccc(C(=O)N3CCN4CCC[C@H]4C3)cc2)C[C@H](C)O1 ZINC000249820576 549631413 /nfs/dbraw/zinc/63/14/13/549631413.db2.gz FZUGKFRPTQFQQJ-QKLQHJQFSA-N 0 3 357.498 2.216 10 0 FEAEHN CSc1ccc(N2C[C@@H](C(=O)N3CCN4CCC[C@H]4C3)CC2=O)cc1 ZINC000249827591 549631516 /nfs/dbraw/zinc/63/15/16/549631516.db2.gz LTMUVVOOWJEHNN-HOCLYGCPSA-N 0 3 359.495 2.068 10 0 FEAEHN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)C1(N)CCOCC1 ZINC000261909270 549768643 /nfs/dbraw/zinc/76/86/43/549768643.db2.gz STAZKSLFKYBNLE-UHFFFAOYSA-N 0 3 359.470 2.314 10 0 FEAEHN NC1(C(=O)NCC2(c3ccccc3Br)CC2)CCOCC1 ZINC000261944606 549772993 /nfs/dbraw/zinc/77/29/93/549772993.db2.gz XZBJBRDXLPIRBW-UHFFFAOYSA-N 0 3 353.260 2.105 10 0 FEAEHN O=C(CCN1CCC[C@H]1c1nc(-c2ccc(F)cc2)c[nH]1)N1CCNCC1 ZINC000262152240 549793325 /nfs/dbraw/zinc/79/33/25/549793325.db2.gz PHCAGZPFRRILOF-SFHVURJKSA-N 0 3 371.460 2.175 10 0 FEAEHN COc1ccc(-c2ncc(-c3nc([C@H]4CNCCN4C)no3)s2)cc1 ZINC000263187053 549884607 /nfs/dbraw/zinc/88/46/07/549884607.db2.gz HMLDULIJWJLBDE-CYBMUJFWSA-N 0 3 357.439 2.445 10 0 FEAEHN CN(C(=O)c1ccco1)c1ccccc1-c1nc([C@H]2CNCCN2C)no1 ZINC000263236111 549888004 /nfs/dbraw/zinc/88/80/04/549888004.db2.gz OAWAPLJRAHYSBY-OAHLLOKOSA-N 0 3 367.409 2.182 10 0 FEAEHN CN(C)[C@H](c1nc([C@@H]2CNCCN2C)no1)c1c(F)cccc1Cl ZINC000263284668 549892121 /nfs/dbraw/zinc/89/21/21/549892121.db2.gz UUPMPQBRVBXFTK-JSGCOSHPSA-N 0 3 353.829 2.089 10 0 FEAEHN CNCC(=O)Nc1ccc(I)c(Br)c1 ZINC000300769834 553617891 /nfs/dbraw/zinc/61/78/91/553617891.db2.gz YQYOESTZCWTCJB-UHFFFAOYSA-N 0 3 369.000 2.212 10 0 FEAEHN CS(=O)(=O)c1ccc2ncnc(N3CCC(N4CCCC4)CC3)c2c1 ZINC000302672007 553725262 /nfs/dbraw/zinc/72/52/62/553725262.db2.gz KWTOPCBMYRITKE-UHFFFAOYSA-N 0 3 360.483 2.098 10 0 FEAEHN CC(=O)N(Cc1cncnc1)[C@H]1CCC[N@H+](Cc2nc(C)ccc2[O-])CC1 ZINC000328639026 553800722 /nfs/dbraw/zinc/80/07/22/553800722.db2.gz PIQCFIKIYQIWJN-SFHVURJKSA-N 0 3 369.469 2.289 10 0 FEAEHN CC(=O)N(Cc1cncnc1)[C@H]1CCC[N@@H+](Cc2nc(C)ccc2[O-])CC1 ZINC000328639026 553800724 /nfs/dbraw/zinc/80/07/24/553800724.db2.gz PIQCFIKIYQIWJN-SFHVURJKSA-N 0 3 369.469 2.289 10 0 FEAEHN CCN1CCC[C@@H](CN(C)Cc2cnc3cnccn23)[C@@H]1c1cnn(C)c1 ZINC000328645642 553801762 /nfs/dbraw/zinc/80/17/62/553801762.db2.gz SEQUKGSNGINBKA-OXJNMPFZSA-N 0 3 367.501 2.368 10 0 FEAEHN C[C@@H]1CCc2ccccc2N1C(=O)CN1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000374071886 557817787 /nfs/dbraw/zinc/81/77/87/557817787.db2.gz KSQLLLIHPJOXEV-MCYKXBRJSA-N 0 3 358.482 2.216 10 0 FEAEHN CCN1C[C@H](NCc2ncc(I)s2)[C@@H](C)C1 ZINC000381742888 558603708 /nfs/dbraw/zinc/60/37/08/558603708.db2.gz PKSOITKLSHKKMS-IUCAKERBSA-N 0 3 351.257 2.178 10 0 FEAEHN O=C(Nc1nnc(C2CCCCC2)s1)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000072306030 670495785 /nfs/dbraw/zinc/49/57/85/670495785.db2.gz OAESIMMNXNGIEP-ZIAGYGMSSA-N 0 3 365.503 2.259 10 0 FEAEHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)/C=C/c1ccccc1 ZINC000110099810 670847297 /nfs/dbraw/zinc/84/72/97/670847297.db2.gz ZLQXNILTQVLGEV-BAILOTOSSA-N 0 3 365.543 2.335 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000151214629 672158824 /nfs/dbraw/zinc/15/88/24/672158824.db2.gz IQPXNPWJRQYROK-XHDPSFHLSA-N 0 3 353.850 2.124 10 0 FEAEHN CCC[C@@H](C(=O)N1CCN(Cc2c(CC)nn(C)c2Cl)CC1)N(C)C ZINC000153015230 672192369 /nfs/dbraw/zinc/19/23/69/672192369.db2.gz ZDQCBRQCBOFKTI-INIZCTEOSA-N 0 3 369.941 2.010 10 0 FEAEHN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H]1CCCN1C ZINC000194731713 672766721 /nfs/dbraw/zinc/76/67/21/672766721.db2.gz GSSRBIRHNANHTK-HOTGVXAUSA-N 0 3 351.878 2.305 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000262127230 672909414 /nfs/dbraw/zinc/90/94/14/672909414.db2.gz LOHNGRQFIBEKGR-CORIIIEPSA-N 0 3 362.392 2.277 10 0 FEAEHN COc1cc(Cl)ccc1-c1noc(CN2CCCC[C@H](N)C2=O)n1 ZINC000888078332 688545129 /nfs/dbraw/zinc/54/51/29/688545129.db2.gz JZTBSTPPULYQBC-LBPRGKRZSA-N 0 3 350.806 2.238 10 0 FEAEHN Cc1ccc(OCCCCNC(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000046337185 540252420 /nfs/dbraw/zinc/25/24/20/540252420.db2.gz KOMFOALDWWDIPQ-SFHVURJKSA-N 0 3 363.502 2.300 10 0 FEAEHN C[C@H](NC(=O)NC[C@H](O)CN1CCCCC1)c1cccc(OC(F)F)c1 ZINC000049174757 540383647 /nfs/dbraw/zinc/38/36/47/540383647.db2.gz PBSBDMZDUNNQCZ-ZFWWWQNUSA-N 0 3 371.428 2.495 10 0 FEAEHN CN(C[C@H](O)Cn1cccn1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339074 540584431 /nfs/dbraw/zinc/58/44/31/540584431.db2.gz XSWBCSGTMBQXRB-KNXALSJPSA-N 0 3 356.253 2.141 10 0 FEAEHN CN1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)CC1 ZINC000061031188 541124840 /nfs/dbraw/zinc/12/48/40/541124840.db2.gz GYOIDWVMRLLKCA-KRWDZBQOSA-N 0 3 371.506 2.300 10 0 FEAEHN Cc1ccc([C@@H](C)NC(=O)NCc2cccc(C(=O)NCCN(C)C)c2)o1 ZINC000067085734 541416568 /nfs/dbraw/zinc/41/65/68/541416568.db2.gz XELCCAZKUKEVOH-OAHLLOKOSA-N 0 3 372.469 2.440 10 0 FEAEHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000067045222 541410355 /nfs/dbraw/zinc/41/03/55/541410355.db2.gz HZJAPHZLRDHMAG-QGZVFWFLSA-N 0 3 362.518 2.000 10 0 FEAEHN COCCCNC(=O)CN[C@@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000016695680 211166550 /nfs/dbraw/zinc/16/65/50/211166550.db2.gz WOBPATDAKNZZTF-LJQANCHMSA-N 0 3 350.459 2.287 10 0 FEAEHN O=C(CCCN1CCN(c2ccccc2)CC1)NC[C@H]1CCCC[C@H]1O ZINC000077161250 542348753 /nfs/dbraw/zinc/34/87/53/542348753.db2.gz VKZYTWWTMYCAQQ-UYAOXDASSA-N 0 3 359.514 2.256 10 0 FEAEHN COCCN1C[C@H]2CN(c3ncc(F)cn3)CC[C@]2(c2ccccc2)C1 ZINC000096083260 132218564 /nfs/dbraw/zinc/21/85/64/132218564.db2.gz LJVXZDWDZPPALO-FXAWDEMLSA-N 0 3 356.445 2.342 10 0 FEAEHN Cc1ccnc(N2CCC[C@@H](C(=O)NCCN(C)Cc3ccccc3)C2)n1 ZINC000065001209 136134360 /nfs/dbraw/zinc/13/43/60/136134360.db2.gz DGPUXXIDHBENSG-LJQANCHMSA-N 0 3 367.497 2.250 10 0 FEAEHN CCCC(=O)N[C@@H]1CCCN(C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000101791579 543046254 /nfs/dbraw/zinc/04/62/54/543046254.db2.gz CPHAYSKJUNPMML-GOSISDBHSA-N 0 3 360.502 2.339 10 0 FEAEHN c1cnnc(N2CCCN(CCCOc3ccc4c(c3)OCO4)CC2)c1 ZINC000106068977 543188253 /nfs/dbraw/zinc/18/82/53/543188253.db2.gz ZMADSLVGNKNAEP-UHFFFAOYSA-N 0 3 356.426 2.187 10 0 FEAEHN COCCN1CCN(CCCCCn2nnc(-c3ccccc3)n2)C[C@@H]1C ZINC000106106928 543198782 /nfs/dbraw/zinc/19/87/82/543198782.db2.gz FDQMCAYTJQHEEU-SFHVURJKSA-N 0 3 372.517 2.163 10 0 FEAEHN CC[C@@H]1CN(CCC(=O)Nc2cccc(Cl)c2)CCN1C[C@@H](C)O ZINC000106102765 543197242 /nfs/dbraw/zinc/19/72/42/543197242.db2.gz ZHXXRLZWGNLNSU-RHSMWYFYSA-N 0 3 353.894 2.446 10 0 FEAEHN C[C@@H](C(=O)N1CCCCCC1)N(C)C1CCN(CCn2cccn2)CC1 ZINC000106129765 543205728 /nfs/dbraw/zinc/20/57/28/543205728.db2.gz BQEBYAWXXRJKLA-SFHVURJKSA-N 0 3 361.534 2.070 10 0 FEAEHN CCc1nnc(CN(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)n1C ZINC000106127175 543204601 /nfs/dbraw/zinc/20/46/01/543204601.db2.gz YSUSCHQAUGOHMF-LJQANCHMSA-N 0 3 371.529 2.255 10 0 FEAEHN C/C=C/c1ccc(OC[C@H](O)CN2CCC[C@H](n3cncn3)C2)c(OC)c1 ZINC000106217821 543219472 /nfs/dbraw/zinc/21/94/72/543219472.db2.gz BUUKWRRCEQELCT-YBXYLWMYSA-N 0 3 372.469 2.397 10 0 FEAEHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000109151432 543316039 /nfs/dbraw/zinc/31/60/39/543316039.db2.gz ATBNTAAFWIDIQM-DJIMGWMZSA-N 0 3 365.468 2.458 10 0 FEAEHN CCCC(=O)N[C@H]1CCCN(C(=O)c2ccccc2OCCN(C)C)C1 ZINC000110198400 543351776 /nfs/dbraw/zinc/35/17/76/543351776.db2.gz YJFRLZALONKNPT-INIZCTEOSA-N 0 3 361.486 2.148 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCN(c3nc4cc(C)ccc4o3)CC2)C1 ZINC000112444593 543447121 /nfs/dbraw/zinc/44/71/21/543447121.db2.gz RXMDJZCRVZVPTN-INIZCTEOSA-N 0 3 371.485 2.452 10 0 FEAEHN O=C(CCN1CCCC[C@@H]1c1cn[nH]c1)NC(=O)NCc1ccccc1 ZINC000114482778 543520083 /nfs/dbraw/zinc/52/00/83/543520083.db2.gz FCRHLSWMUDWHKW-QGZVFWFLSA-N 0 3 355.442 2.353 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)NCCc3cccs3)CC2)nc1 ZINC000114580928 543524609 /nfs/dbraw/zinc/52/46/09/543524609.db2.gz VLPABENUIAWMKT-UHFFFAOYSA-N 0 3 373.526 2.279 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc(CN3CCCC3)c1)CC2 ZINC000114871140 543543050 /nfs/dbraw/zinc/54/30/50/543543050.db2.gz LJUGQERQEFZXHS-KRWDZBQOSA-N 0 3 353.470 2.181 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cc(I)c[nH]1 ZINC000115345805 543561554 /nfs/dbraw/zinc/56/15/54/543561554.db2.gz UOWPCEATMOYELD-NSHDSACASA-N 0 3 363.243 2.325 10 0 FEAEHN C[C@H](NC(=O)N1CCO[C@H](CN(C)C)C1)c1cccc(Br)c1 ZINC000117030913 543621709 /nfs/dbraw/zinc/62/17/09/543621709.db2.gz DTWROENSTHZKKM-SWLSCSKDSA-N 0 3 370.291 2.482 10 0 FEAEHN COCCN1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C[C@H]1C ZINC000117478074 543633171 /nfs/dbraw/zinc/63/31/71/543633171.db2.gz WRDREYKDDUFAHW-QUCCMNQESA-N 0 3 374.529 2.186 10 0 FEAEHN CS[C@H](CO)[C@@H](C)NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000119802822 543671804 /nfs/dbraw/zinc/67/18/04/543671804.db2.gz JZLDUTXPLLHIQO-BPQIPLTHSA-N 0 3 365.543 2.453 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H](NC(C)=O)C1)c1ccccc1 ZINC000126910285 543963051 /nfs/dbraw/zinc/96/30/51/543963051.db2.gz PNIBOVNPYLLWSR-MOPGFXCFSA-N 0 3 360.502 2.380 10 0 FEAEHN O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127444653 543993217 /nfs/dbraw/zinc/99/32/17/543993217.db2.gz NXAWKCIBRCMDLF-GOSISDBHSA-N 0 3 353.470 2.426 10 0 FEAEHN CCC[C@H](C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1)N(C)C ZINC000131241630 544181406 /nfs/dbraw/zinc/18/14/06/544181406.db2.gz BPZMTRJQIBHEAV-MRXNPFEDSA-N 0 3 369.868 2.494 10 0 FEAEHN COC(=O)c1cc(CN(C)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)oc1C ZINC000132390785 544229960 /nfs/dbraw/zinc/22/99/60/544229960.db2.gz PYUXAHWAXBIMKD-BLLLJJGKSA-N 0 3 351.447 2.245 10 0 FEAEHN CCOc1ccccc1NC(=O)CCN1CCN(CCOC)[C@@H](CC)C1 ZINC000137133321 544385641 /nfs/dbraw/zinc/38/56/41/544385641.db2.gz SIMMUJDMRJOMHX-KRWDZBQOSA-N 0 3 363.502 2.457 10 0 FEAEHN O=C1CNCCN1CCCCN1CCN(c2cccc3sccc32)CC1 ZINC000145226904 544433366 /nfs/dbraw/zinc/43/33/66/544433366.db2.gz KKBLPGVFIQMYJR-UHFFFAOYSA-N 0 3 372.538 2.235 10 0 FEAEHN O[C@H](COc1cccc2[nH]ccc21)CN1CC[C@H](Oc2cccnc2)C1 ZINC000152405540 544649242 /nfs/dbraw/zinc/64/92/42/544649242.db2.gz FJFNQJCGRHVBAI-RDJZCZTQSA-N 0 3 353.422 2.456 10 0 FEAEHN C[C@@H](CNC(=O)N1CCC(Nc2cccnn2)CC1)N1CCC[C@H](C)C1 ZINC000153489179 544781985 /nfs/dbraw/zinc/78/19/85/544781985.db2.gz WESQSOFPMYJVIS-HOTGVXAUSA-N 0 3 360.506 2.183 10 0 FEAEHN CC(C)(C)c1nc(CCNC(=O)NC[C@H](O)CN2CCCCC2)cs1 ZINC000153796367 544824945 /nfs/dbraw/zinc/82/49/45/544824945.db2.gz LKKGZWQTUSTAGM-HNNXBMFYSA-N 0 3 368.547 2.129 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000154540035 544918481 /nfs/dbraw/zinc/91/84/81/544918481.db2.gz CDUSFBCHLUNBRB-WMLDXEAASA-N 0 3 361.490 2.203 10 0 FEAEHN CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCC[C@H]2Cn2ccnc2C)c1 ZINC000154572014 544922874 /nfs/dbraw/zinc/92/28/74/544922874.db2.gz SPHYXGNGRKFNQU-KSSFIOAISA-N 0 3 369.469 2.043 10 0 FEAEHN CN(C[C@@H](O)COCc1cccs1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000155040870 544981314 /nfs/dbraw/zinc/98/13/14/544981314.db2.gz SZZBMGOLKCWRFG-HZPDHXFCSA-N 0 3 362.499 2.016 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000180998746 327711737 /nfs/dbraw/zinc/71/17/37/327711737.db2.gz MDLATSFBPIOBHO-INIZCTEOSA-N 0 3 369.469 2.175 10 0 FEAEHN CCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000181171676 327719063 /nfs/dbraw/zinc/71/90/63/327719063.db2.gz QELAAFGWWWOYEE-ZDUSSCGKSA-N 0 3 368.865 2.483 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@H](C)c1ccccc1OCC(=O)OC)CC2 ZINC000183753588 327833943 /nfs/dbraw/zinc/83/39/43/327833943.db2.gz AGFAWWHFYQFANQ-ZIAGYGMSSA-N 0 3 358.442 2.058 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1OC(F)F ZINC000190100160 328188146 /nfs/dbraw/zinc/18/81/46/328188146.db2.gz NMIUFQIQBIOWAX-ZYHUDNBSSA-N 0 3 371.359 2.061 10 0 FEAEHN CCCOc1cccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2CC)c1 ZINC000190355396 328202411 /nfs/dbraw/zinc/20/24/11/328202411.db2.gz YPCVKORTCPJKJZ-DLBZAZTESA-N 0 3 359.470 2.499 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2cccc(C(N)=O)c2)C1 ZINC000190492607 328211112 /nfs/dbraw/zinc/21/11/12/328211112.db2.gz QIEKADHYTKHLPQ-INIZCTEOSA-N 0 3 367.453 2.166 10 0 FEAEHN CC(C)CCn1cc(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)nn1 ZINC000190643864 328221675 /nfs/dbraw/zinc/22/16/75/328221675.db2.gz JYGSGOLSJIAIJJ-GOSISDBHSA-N 0 3 370.501 2.313 10 0 FEAEHN CCOc1ncccc1C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190614095 328219619 /nfs/dbraw/zinc/21/96/19/328219619.db2.gz URZFOGYNIZAMCL-QGZVFWFLSA-N 0 3 354.454 2.469 10 0 FEAEHN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000192144412 328302325 /nfs/dbraw/zinc/30/23/25/328302325.db2.gz YXXVMIOSAPIRFX-LJQANCHMSA-N 0 3 373.497 2.049 10 0 FEAEHN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000192144412 328302327 /nfs/dbraw/zinc/30/23/27/328302327.db2.gz YXXVMIOSAPIRFX-LJQANCHMSA-N 0 3 373.497 2.049 10 0 FEAEHN C[C@H](NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCCO1 ZINC000192317507 328312977 /nfs/dbraw/zinc/31/29/77/328312977.db2.gz QTEFXYMDOUPXQZ-QXAKKESOSA-N 0 3 361.486 2.144 10 0 FEAEHN O=C(NCC1(N2CCSCC2)CCCCC1)c1cnn2ccncc12 ZINC000193239848 328364406 /nfs/dbraw/zinc/36/44/06/328364406.db2.gz AXNRISBIMULJSP-UHFFFAOYSA-N 0 3 359.499 2.211 10 0 FEAEHN O=C(NC1CCN(C[C@H](O)COCc2ccccc2)CC1)c1ccccc1 ZINC000025304974 324416582 /nfs/dbraw/zinc/41/65/82/324416582.db2.gz JGQUDVHNHSWEBL-NRFANRHFSA-N 0 3 368.477 2.459 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)Nc1ccc(OC(F)F)c(F)c1 ZINC000047714493 324643378 /nfs/dbraw/zinc/64/33/78/324643378.db2.gz WKKCFTNGEZDZHS-LBPRGKRZSA-N 0 3 361.364 2.395 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1 ZINC000236989106 328500693 /nfs/dbraw/zinc/50/06/93/328500693.db2.gz LGBAFZBIEYXPCN-RDTXWAMCSA-N 0 3 354.454 2.348 10 0 FEAEHN COc1ccc(Br)cc1C(=O)CCC(=O)N1CCC[C@H]1CN ZINC000237109735 328504963 /nfs/dbraw/zinc/50/49/63/328504963.db2.gz NSANPBCVSBOZPO-LBPRGKRZSA-N 0 3 369.259 2.370 10 0 FEAEHN C[C@H](NC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)[C@H]1CCCO1 ZINC000077816483 325018372 /nfs/dbraw/zinc/01/83/72/325018372.db2.gz PQYXFOHWISWQPX-DFQSSKMNSA-N 0 3 374.529 2.232 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cccc(Br)c1 ZINC000083551070 325218736 /nfs/dbraw/zinc/21/87/36/325218736.db2.gz HMUMGMGVEFCQMJ-DGCLKSJQSA-N 0 3 359.289 2.306 10 0 FEAEHN Cc1c(C(=O)N2CC[C@H](N(C)C)C2)nnn1-c1ccc(OC(C)C)cc1 ZINC000108994239 325655500 /nfs/dbraw/zinc/65/55/00/325655500.db2.gz UQEMXZUMLLXXMU-INIZCTEOSA-N 0 3 357.458 2.139 10 0 FEAEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000111835453 325739005 /nfs/dbraw/zinc/73/90/05/325739005.db2.gz GYKNCWGWXIXFEJ-IAGOWNOFSA-N 0 3 374.510 2.399 10 0 FEAEHN O[C@@H](COCc1ccccc1)CN1CCC(c2nnc3ccccn32)CC1 ZINC000112407587 325779540 /nfs/dbraw/zinc/77/95/40/325779540.db2.gz YEEWIKRCUJJQMM-LJQANCHMSA-N 0 3 366.465 2.486 10 0 FEAEHN CCOc1ccc(NC(=O)[C@@H](C)N[C@@H]2CCc3nc(CC)nn3C2)cc1 ZINC000112550550 325789975 /nfs/dbraw/zinc/78/99/75/325789975.db2.gz UEDLYRVVQNZPEP-UKRRQHHQSA-N 0 3 357.458 2.171 10 0 FEAEHN COc1cccc(CNC(=O)[C@H](C)N[C@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000112552026 325791256 /nfs/dbraw/zinc/79/12/56/325791256.db2.gz KTUQHKGZRBJVIB-HOCLYGCPSA-N 0 3 371.485 2.019 10 0 FEAEHN Cc1cc(NC(=O)N2CCO[C@H](CN(C)C)C2)n(Cc2ccccc2)n1 ZINC000116928728 326042610 /nfs/dbraw/zinc/04/26/10/326042610.db2.gz PFDOVBRAHQPLIX-QGZVFWFLSA-N 0 3 357.458 2.034 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)N[C@@H]2CCSc3ccc(F)cc32)CCO1 ZINC000117028182 326047388 /nfs/dbraw/zinc/04/73/88/326047388.db2.gz IFCNGOPGUIUDBL-DZGCQCFKSA-N 0 3 353.463 2.335 10 0 FEAEHN C[C@@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)c1cccc(OC(F)F)c1 ZINC000117032430 326048283 /nfs/dbraw/zinc/04/82/83/326048283.db2.gz IAVSWKACLOPIGH-DOMZBBRYSA-N 0 3 357.401 2.321 10 0 FEAEHN Cc1ccc(-c2nc(CCNC(=O)N3CCO[C@H](CN(C)C)C3)co2)cc1 ZINC000117043284 326048979 /nfs/dbraw/zinc/04/89/79/326048979.db2.gz PUDAGBYIHAPZNJ-GOSISDBHSA-N 0 3 372.469 2.165 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)CCO1 ZINC000118807974 326104284 /nfs/dbraw/zinc/10/42/84/326104284.db2.gz BGMRFFJFSRWCCD-SFHVURJKSA-N 0 3 374.485 2.107 10 0 FEAEHN O=C(NC[C@@H]1CCCC[C@@H]1O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000119042770 326121461 /nfs/dbraw/zinc/12/14/61/326121461.db2.gz PPEMJTIPKLVHBF-PMACEKPBSA-N 0 3 360.498 2.172 10 0 FEAEHN COc1ccc(CCNC(=O)NC[C@H](O)CN2CCCCC2)c(Cl)c1 ZINC000119357568 326153073 /nfs/dbraw/zinc/15/30/73/326153073.db2.gz LAQQSZRXEWULFD-HNNXBMFYSA-N 0 3 369.893 2.037 10 0 FEAEHN CCOc1ccc(NC(=O)CNC(=O)N[C@H](CC(C)C)CN(C)C)cc1 ZINC000120475718 326261850 /nfs/dbraw/zinc/26/18/50/326261850.db2.gz WENLFCZHVTZCLO-MRXNPFEDSA-N 0 3 364.490 2.299 10 0 FEAEHN CC[C@@H]1CN(Cc2cc(OC)c(OC)c(OC)c2)CCN1CCOC ZINC000120961029 326302551 /nfs/dbraw/zinc/30/25/51/326302551.db2.gz OTHFEBXBOXLMBH-MRXNPFEDSA-N 0 3 352.475 2.255 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000120965994 326302899 /nfs/dbraw/zinc/30/28/99/326302899.db2.gz ZDBGZKMLBVDUOY-QGZVFWFLSA-N 0 3 356.470 2.003 10 0 FEAEHN CC[C@@H]1CN(Cc2ccc(O[C@@H](C)C(=O)OC)cc2)CCN1CCOC ZINC000120971240 326303567 /nfs/dbraw/zinc/30/35/67/326303567.db2.gz XRBCAJKDWFMYQV-FUHWJXTLSA-N 0 3 364.486 2.170 10 0 FEAEHN CCN(C(=O)[C@H](C)N[C@@H](C)c1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000121051146 326309572 /nfs/dbraw/zinc/30/95/72/326309572.db2.gz LWSKMJBMUBMWPS-JYJNAYRXSA-N 0 3 352.500 2.070 10 0 FEAEHN O[C@H](CNc1nc2ccccc2nc1N1CCCC1)CN1CCCCC1 ZINC000132307986 326590470 /nfs/dbraw/zinc/59/04/70/326590470.db2.gz JWPQIFPBJQPACD-MRXNPFEDSA-N 0 3 355.486 2.489 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)C1 ZINC000133973682 326617800 /nfs/dbraw/zinc/61/78/00/326617800.db2.gz AUNQIKBPIPHMHL-GXTWGEPZSA-N 0 3 354.857 2.403 10 0 FEAEHN CCC[C@H](C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)N(C)C ZINC000152376790 326705673 /nfs/dbraw/zinc/70/56/73/326705673.db2.gz LMBDQQJVCUJNFB-LJQANCHMSA-N 0 3 359.514 2.410 10 0 FEAEHN C[C@@H](N)C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000158124006 326885769 /nfs/dbraw/zinc/88/57/69/326885769.db2.gz CRADYLZQZILLIV-SSDOTTSWSA-N 0 3 355.154 2.310 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1-c1ncco1 ZINC000164025787 327063344 /nfs/dbraw/zinc/06/33/44/327063344.db2.gz OZOCJGGEJZVQMR-YOEHRIQHSA-N 0 3 370.453 2.433 10 0 FEAEHN COc1ccc(CNC(=O)N2CC[C@H](N(C)C)C2)cc1Br ZINC000170836350 327101764 /nfs/dbraw/zinc/10/17/64/327101764.db2.gz FHZGWZFPHLNGLV-LBPRGKRZSA-N 0 3 356.264 2.303 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)C1 ZINC000170857273 327102967 /nfs/dbraw/zinc/10/29/67/327102967.db2.gz DSEMAIHZAXJGME-OALUTQOASA-N 0 3 351.450 2.320 10 0 FEAEHN CCOc1ccc(-c2noc(CCC(=O)N3CC[C@H](N(C)C)C3)n2)cc1 ZINC000170867405 327104093 /nfs/dbraw/zinc/10/40/93/327104093.db2.gz HCBGJWPLTCYNIU-HNNXBMFYSA-N 0 3 358.442 2.230 10 0 FEAEHN COC(=O)N[C@@H](C(=O)Nc1ccc(N2CCCN(C)CC2)cc1)C(C)C ZINC000170989754 327110894 /nfs/dbraw/zinc/11/08/94/327110894.db2.gz CVOLTBXJJFZOMO-QGZVFWFLSA-N 0 3 362.474 2.148 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)N[C@H](c1nccs1)c1ccccc1 ZINC000171445800 327140181 /nfs/dbraw/zinc/14/01/81/327140181.db2.gz UVXXRSZSIKJVEY-IRXDYDNUSA-N 0 3 374.510 2.379 10 0 FEAEHN O=C(c1ccc(I)c(F)c1)N1CCN2CCC[C@H]2C1 ZINC000171471141 327141627 /nfs/dbraw/zinc/14/16/27/327141627.db2.gz TYYCWRLMWHMCKU-NSHDSACASA-N 0 3 374.197 2.351 10 0 FEAEHN COc1cccc(CNC(=O)CN2CC[C@H](CNc3cccc(C)n3)C2)c1 ZINC000171651445 327151716 /nfs/dbraw/zinc/15/17/16/327151716.db2.gz QIWZAISLXSFOPZ-GOSISDBHSA-N 0 3 368.481 2.449 10 0 FEAEHN CC1CCN(c2ccc(CNC(=O)N3CCN4CCC[C@H]4C3)cn2)CC1 ZINC000171900427 327168822 /nfs/dbraw/zinc/16/88/22/327168822.db2.gz HDZCVPXXEPFRCP-SFHVURJKSA-N 0 3 357.502 2.308 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)N[C@H](c2nccs2)c2ccccc2)CCO1 ZINC000172133817 327182845 /nfs/dbraw/zinc/18/28/45/327182845.db2.gz RODWBPWABSTCIJ-HOTGVXAUSA-N 0 3 360.483 2.205 10 0 FEAEHN O=C(NCc1nc(-c2cccc(Cl)c2)no1)N1CCN2CCC[C@@H]2C1 ZINC000172158544 327184770 /nfs/dbraw/zinc/18/47/70/327184770.db2.gz ONHBHWRQECPZEP-CQSZACIVSA-N 0 3 361.833 2.380 10 0 FEAEHN CN(C)Cc1c2ccccc2oc1C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000173333789 327250426 /nfs/dbraw/zinc/25/04/26/327250426.db2.gz STMXZSJGGGFQNS-OAHLLOKOSA-N 0 3 368.437 2.232 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000173584415 327268682 /nfs/dbraw/zinc/26/86/82/327268682.db2.gz GPUWQVHSQKMIHL-TZMCWYRMSA-N 0 3 362.861 2.178 10 0 FEAEHN COC(=O)c1ccsc1N1CC[C@H](N2CCC(c3ccn[nH]3)CC2)C1=O ZINC000173877393 327290740 /nfs/dbraw/zinc/29/07/40/327290740.db2.gz JPYCPKRQJUURDO-HNNXBMFYSA-N 0 3 374.466 2.243 10 0 FEAEHN C[C@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@H]1N1CCOCC1 ZINC000173961756 327298263 /nfs/dbraw/zinc/29/82/63/327298263.db2.gz SPSIBDQFGYZCMV-FXAWDEMLSA-N 0 3 357.498 2.075 10 0 FEAEHN CC[C@@H]1CN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)CCN1C[C@@H](C)O ZINC000174635246 327340198 /nfs/dbraw/zinc/34/01/98/327340198.db2.gz OVPOLQIWRWYGDF-NVXWUHKLSA-N 0 3 356.470 2.302 10 0 FEAEHN CSC[C@H](C)NC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000175087268 327372957 /nfs/dbraw/zinc/37/29/57/327372957.db2.gz WRJLWTDCWSVUIV-MAUKXSAKSA-N 0 3 365.543 2.483 10 0 FEAEHN C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Br)C[C@H]1N(C)C ZINC000251854537 328791137 /nfs/dbraw/zinc/79/11/37/328791137.db2.gz RUTCUUWJSFSIGU-BXKDBHETSA-N 0 3 365.268 2.159 10 0 FEAEHN N[C@H](C(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3)C1CCOCC1 ZINC000261788999 328819967 /nfs/dbraw/zinc/81/99/67/328819967.db2.gz GMJYQGCCSJORIE-LBPRGKRZSA-N 0 3 371.365 2.310 10 0 FEAEHN O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)[C@@H]1C[C@H](O)CN1 ZINC000262348405 328860472 /nfs/dbraw/zinc/86/04/72/328860472.db2.gz GXGRAAZYSKMZMN-WPRPVWTQSA-N 0 3 356.860 2.004 10 0 FEAEHN N[C@@H](C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000262661959 328879392 /nfs/dbraw/zinc/87/93/92/328879392.db2.gz GPLMMPUIFUFCPF-NHCUHLMSSA-N 0 3 367.493 2.248 10 0 FEAEHN Cn1ccnc(N2CCC[C@H](NC3CC(c4ccc(F)cc4)C3)C2)c1=O ZINC000275465579 527414646 /nfs/dbraw/zinc/41/46/46/527414646.db2.gz HKMIYDYGVFMUDP-NXYGQSRBSA-N 0 3 356.445 2.424 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)C[C@@H](NC(C)=O)c2ccc(F)cc2F)C1 ZINC000247549139 549355732 /nfs/dbraw/zinc/35/57/32/549355732.db2.gz YQMPJNXPZCKZOO-RHSMWYFYSA-N 0 3 353.413 2.133 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)CCO1 ZINC000155476505 545530421 /nfs/dbraw/zinc/53/04/21/545530421.db2.gz QFDXZZCUITYTHP-PKOBYXMFSA-N 0 3 372.444 2.282 10 0 FEAEHN CC[C@H]1CN(CCOc2ccc3c(C)cc(=O)oc3c2)CCN1C[C@@H](C)O ZINC000157943288 545802974 /nfs/dbraw/zinc/80/29/74/545802974.db2.gz VUAHHETUQYGFES-SJORKVTESA-N 0 3 374.481 2.257 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)c2cc(Br)cnc2N(C)C)[C@@H](C)C1 ZINC000158947441 545907144 /nfs/dbraw/zinc/90/71/44/545907144.db2.gz GHJZXQCYKQXDHF-FZMZJTMJSA-N 0 3 369.307 2.369 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)Cn2c3ccccc3nc2-c2cscn2)C1 ZINC000170858125 546180239 /nfs/dbraw/zinc/18/02/39/546180239.db2.gz VDFBQQDATCKRBR-CYBMUJFWSA-N 0 3 355.467 2.322 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NCc2nccn2CCc2ccccc2)C1 ZINC000175707439 546337689 /nfs/dbraw/zinc/33/76/89/546337689.db2.gz HZXICFYMDFDJTM-SFHVURJKSA-N 0 3 355.486 2.409 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)NCc2nccn2CCCc2ccccc2)C1 ZINC000175926960 546373763 /nfs/dbraw/zinc/37/37/63/546373763.db2.gz GFKBWLVPMFKYDY-GOSISDBHSA-N 0 3 355.486 2.361 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CCO1 ZINC000176093640 546405978 /nfs/dbraw/zinc/40/59/78/546405978.db2.gz CPNLGVCXUXQMRY-INIZCTEOSA-N 0 3 356.426 2.017 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1cc(C(=O)N(C)C)ccc1OC ZINC000176315017 546430681 /nfs/dbraw/zinc/43/06/81/546430681.db2.gz VHYKLCOVLQLENU-OAHLLOKOSA-N 0 3 362.474 2.345 10 0 FEAEHN COCCCOc1cc(C)ccc1CNC(=O)N1CCN2CCC[C@H]2C1 ZINC000176442038 546446839 /nfs/dbraw/zinc/44/68/39/546446839.db2.gz XZTQGVSUGIVHCH-SFHVURJKSA-N 0 3 361.486 2.400 10 0 FEAEHN CC[C@H](CNC(=O)NC[C@@H](O)CN1CCCCC1)Oc1cccc(C)c1 ZINC000176835464 546494666 /nfs/dbraw/zinc/49/46/66/546494666.db2.gz HGFVWXCHUUIHAM-QZTJIDSGSA-N 0 3 363.502 2.298 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(N2CCCC2)cc1C ZINC000176896094 546503037 /nfs/dbraw/zinc/50/30/37/546503037.db2.gz ZLYROQAWFPSKAH-GOSISDBHSA-N 0 3 372.513 2.476 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(N2CCCC2)cc1C ZINC000176896114 546503235 /nfs/dbraw/zinc/50/32/35/546503235.db2.gz ZLYROQAWFPSKAH-SFHVURJKSA-N 0 3 372.513 2.476 10 0 FEAEHN C[C@@H](O)CN1CCN(Cc2ccc(SC(=O)N(C)C)cc2)C[C@@H]1C ZINC000176916943 546508036 /nfs/dbraw/zinc/50/80/36/546508036.db2.gz KRTBLOTVGHMFAO-LSDHHAIUSA-N 0 3 351.516 2.347 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCC(=O)N1CCCc2ccccc21 ZINC000177431575 546616073 /nfs/dbraw/zinc/61/60/73/546616073.db2.gz AHOCVRLENWDRPA-KRWDZBQOSA-N 0 3 358.486 2.092 10 0 FEAEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)COCC1CC1 ZINC000177462638 546624416 /nfs/dbraw/zinc/62/44/16/546624416.db2.gz GNDIYFBGYONLQY-FQEVSTJZSA-N 0 3 360.498 2.317 10 0 FEAEHN COCCN1CCC[C@H]1CNC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000177509007 546634129 /nfs/dbraw/zinc/63/41/29/546634129.db2.gz XILYGUBGUHUNRN-LSDHHAIUSA-N 0 3 365.478 2.150 10 0 FEAEHN O[C@H](COCc1ccccc1Cl)CN1CCC[C@H](n2cncn2)C1 ZINC000178613498 546821257 /nfs/dbraw/zinc/82/12/57/546821257.db2.gz UFSNEGYEUPMFQJ-HOTGVXAUSA-N 0 3 350.850 2.146 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000178628827 546823271 /nfs/dbraw/zinc/82/32/71/546823271.db2.gz FGPRQNDPTHPXCI-QGZVFWFLSA-N 0 3 356.470 2.353 10 0 FEAEHN CC(C)N(CCc1nccs1)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000179051210 546891986 /nfs/dbraw/zinc/89/19/86/546891986.db2.gz HWCAFCAJKBISOH-AWEZNQCLSA-N 0 3 373.478 2.053 10 0 FEAEHN COCc1noc(CN(C)CC2CCN(C[C@H](O)c3ccccc3)CC2)n1 ZINC000182236748 547458037 /nfs/dbraw/zinc/45/80/37/547458037.db2.gz HHIDPXMHUULWEM-SFHVURJKSA-N 0 3 374.485 2.093 10 0 FEAEHN CC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1Cl ZINC000182828363 547558474 /nfs/dbraw/zinc/55/84/74/547558474.db2.gz FOOBMOWJPAWIKL-BZNIZROVSA-N 0 3 365.861 2.326 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)C1 ZINC000183526091 547675200 /nfs/dbraw/zinc/67/52/00/547675200.db2.gz OUWPJUOEEYVQGS-OCCSQVGLSA-N 0 3 354.857 2.403 10 0 FEAEHN O=C(Nc1ccc(Cl)cc1OC(F)F)C(=O)N1CCN2CCC[C@H]2C1 ZINC000183560450 547681101 /nfs/dbraw/zinc/68/11/01/547681101.db2.gz ZFACCOWGYREJQI-NSHDSACASA-N 0 3 373.787 2.187 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@@H](CN1CCOCC1)c1ccccc1C)CC2 ZINC000183753416 547713858 /nfs/dbraw/zinc/71/38/58/547713858.db2.gz SNCRJSNRJOLXFP-HKUYNNGSSA-N 0 3 369.513 2.127 10 0 FEAEHN CC(C)n1nnnc1-c1ccccc1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000184636921 547859186 /nfs/dbraw/zinc/85/91/86/547859186.db2.gz COBBHZFJEDBXEH-CQSZACIVSA-N 0 3 355.446 2.233 10 0 FEAEHN CN(C)[C@@H](CNC(=O)CN1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000184960416 547906984 /nfs/dbraw/zinc/90/69/84/547906984.db2.gz DHBXUNKLKLXMRY-IBGZPJMESA-N 0 3 355.486 2.008 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CNCC1(CO)CCCC1 ZINC000185801262 548037536 /nfs/dbraw/zinc/03/75/36/548037536.db2.gz YRTVQGUJWMFOLT-UHFFFAOYSA-N 0 3 350.507 2.022 10 0 FEAEHN CCO[C@H]1C[C@H]([NH2+]CCCNC(=O)c2cccc([O-])c2)C12CCOCC2 ZINC000186307281 548115417 /nfs/dbraw/zinc/11/54/17/548115417.db2.gz UEPILKFUUSPYMT-ROUUACIJSA-N 0 3 362.470 2.076 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCN(c3ncnc4sccc43)CC2)C1 ZINC000194171634 548445319 /nfs/dbraw/zinc/44/53/19/548445319.db2.gz ICGWVQDDDNYTJS-CQSZACIVSA-N 0 3 374.514 2.007 10 0 FEAEHN CN(C)C[C@@H](NC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 ZINC000195242719 548601032 /nfs/dbraw/zinc/60/10/32/548601032.db2.gz ABERHBQTWVCDCL-IEBWSBKVSA-N 0 3 366.465 2.394 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(CC(=O)NC2CCCC2)C1 ZINC000195261939 548606345 /nfs/dbraw/zinc/60/63/45/548606345.db2.gz JKXPDNOYLRXKPF-OAHLLOKOSA-N 0 3 350.532 2.264 10 0 FEAEHN COc1ccccc1-n1ncc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1C ZINC000195261946 548606765 /nfs/dbraw/zinc/60/67/65/548606765.db2.gz NKWRMLHWXFBOIS-GOEBONIOSA-N 0 3 354.454 2.498 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000195267874 548608102 /nfs/dbraw/zinc/60/81/02/548608102.db2.gz AKWNITMTWLMKNH-JKSUJKDBSA-N 0 3 350.532 2.215 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000245414766 548911824 /nfs/dbraw/zinc/91/18/24/548911824.db2.gz DWHHJNHFTQSLCD-QAPCUYQASA-N 0 3 356.474 2.454 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000245455822 548925010 /nfs/dbraw/zinc/92/50/10/548925010.db2.gz AYJVNJVGMCVPEU-NXHRZFHOSA-N 0 3 358.486 2.306 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000245469207 548929750 /nfs/dbraw/zinc/92/97/50/548929750.db2.gz LNVHJUKKWPFWLE-RTBURBONSA-N 0 3 363.477 2.142 10 0 FEAEHN CCC[C@@H](C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)N(C)C ZINC000245639920 548963459 /nfs/dbraw/zinc/96/34/59/548963459.db2.gz AUBSNJJPWDWORO-PMACEKPBSA-N 0 3 360.546 2.212 10 0 FEAEHN COc1ccc(C[C@H](C)CNC(=O)N2CCN3CCC[C@H]3C2)cc1OC ZINC000245714317 548980838 /nfs/dbraw/zinc/98/08/38/548980838.db2.gz PSRPCYHBVCWXLQ-RDJZCZTQSA-N 0 3 361.486 2.372 10 0 FEAEHN O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N[C@H]1CCCn2ncnc21 ZINC000246123414 549057473 /nfs/dbraw/zinc/05/74/73/549057473.db2.gz LOYXEOHULZRCPF-ROUUACIJSA-N 0 3 368.485 2.467 10 0 FEAEHN CCn1cnnc1[C@@H]1CCCN(C[C@@H](O)COCc2ccccc2OC)C1 ZINC000246197407 549074466 /nfs/dbraw/zinc/07/44/66/549074466.db2.gz LQERFNCLZVJHJG-SJLPKXTDSA-N 0 3 374.485 2.064 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)C1 ZINC000246288713 549097250 /nfs/dbraw/zinc/09/72/50/549097250.db2.gz CDVDFCOCVBLWTN-BLLLJJGKSA-N 0 3 370.453 2.489 10 0 FEAEHN CCn1nnnc1-c1cccc(NC(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000246536737 549155880 /nfs/dbraw/zinc/15/58/80/549155880.db2.gz VHSJUFYDYMJSCN-CZUORRHYSA-N 0 3 357.462 2.210 10 0 FEAEHN CCCN1Cc2cccc(NC(=O)C(=O)N[C@H]3CN(C(C)C)C[C@H]3C)c2C1 ZINC000246550368 549159879 /nfs/dbraw/zinc/15/98/79/549159879.db2.gz WAFQFQBIAMQLQN-BEFAXECRSA-N 0 3 372.513 2.196 10 0 FEAEHN Cc1ccc(C)c(OC[C@H](O)CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1C ZINC000246605203 549172811 /nfs/dbraw/zinc/17/28/11/549172811.db2.gz XTFSLJSXEMFMIC-RLLQIKCJSA-N 0 3 362.514 2.004 10 0 FEAEHN Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CCO[C@@H](CN(C)C)C1 ZINC000246720759 549195460 /nfs/dbraw/zinc/19/54/60/549195460.db2.gz VBMZMSMRMRYGSJ-MOPGFXCFSA-N 0 3 364.530 2.295 10 0 FEAEHN COCCN1CCN(C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C[C@@H]1C ZINC000246748248 549203165 /nfs/dbraw/zinc/20/31/65/549203165.db2.gz XFNNYNADCLBUGP-FCEWJHQRSA-N 0 3 370.921 2.431 10 0 FEAEHN CC(C)n1nc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c2ccccc2c1=O ZINC000246794290 549214267 /nfs/dbraw/zinc/21/42/67/549214267.db2.gz BOIJIUOEDLOUJH-CABCVRRESA-N 0 3 354.454 2.286 10 0 FEAEHN COc1ccccc1COC[C@H](O)CN1CC[C@@H](Oc2cccnc2)C1 ZINC000246853939 549228836 /nfs/dbraw/zinc/22/88/36/549228836.db2.gz UBPFANRFBRHJTG-IEBWSBKVSA-N 0 3 358.438 2.121 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000246899525 549238502 /nfs/dbraw/zinc/23/85/02/549238502.db2.gz FOVPUJAZOROWIZ-PBHICJAKSA-N 0 3 370.453 2.454 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)C1 ZINC000247200443 549298775 /nfs/dbraw/zinc/29/87/75/549298775.db2.gz MXMFYBMSUDXQIE-IAGOWNOFSA-N 0 3 352.523 2.055 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)CC2 ZINC000247294667 549313600 /nfs/dbraw/zinc/31/36/00/549313600.db2.gz FMTPDTKDMZJXDT-PMPSAXMXSA-N 0 3 362.522 2.136 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)C1 ZINC000247328214 549318865 /nfs/dbraw/zinc/31/88/65/549318865.db2.gz MEYXBJXUWROPOX-PKOBYXMFSA-N 0 3 372.513 2.322 10 0 FEAEHN COCCN1CCN(CCC(=O)N[C@H]2CCCc3ccccc32)C[C@@H]1C ZINC000247578419 549361091 /nfs/dbraw/zinc/36/10/91/549361091.db2.gz IBQUDOPEOSDJOE-PXNSSMCTSA-N 0 3 359.514 2.223 10 0 FEAEHN O=C(Nc1ccc(NC(=O)N2CCN3CCC[C@H]3C2)cc1)[C@H]1CCCO1 ZINC000247596697 549364514 /nfs/dbraw/zinc/36/45/14/549364514.db2.gz SMSINVPYRWZNPA-DLBZAZTESA-N 0 3 358.442 2.116 10 0 FEAEHN CCC[C@H](C(=O)N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1)N(C)C ZINC000248593535 549464767 /nfs/dbraw/zinc/46/47/67/549464767.db2.gz LRDFKAQJWVILRZ-CAOSSQGBSA-N 0 3 353.507 2.478 10 0 FEAEHN COCc1c(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cnn1-c1ccccc1 ZINC000248639148 549474305 /nfs/dbraw/zinc/47/43/05/549474305.db2.gz WNXKHVAAZNEXMI-WBVHZDCISA-N 0 3 354.454 2.327 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc2scnc2c1 ZINC000249145455 549560809 /nfs/dbraw/zinc/56/08/09/549560809.db2.gz GGFFMXVPVLXLCA-KGLIPLIRSA-N 0 3 358.467 2.320 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000249152661 549561309 /nfs/dbraw/zinc/56/13/09/549561309.db2.gz HPCXKIIPDPRUAM-SJORKVTESA-N 0 3 357.454 2.221 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc2cccnc21 ZINC000249156253 549563064 /nfs/dbraw/zinc/56/30/64/549563064.db2.gz IKDIOAJNKSUEEP-HOTGVXAUSA-N 0 3 352.438 2.259 10 0 FEAEHN CCCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000249194865 549566706 /nfs/dbraw/zinc/56/67/06/549566706.db2.gz PZBJUGKGKZVPIU-HIFRSBDPSA-N 0 3 363.433 2.248 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc2ncsc2c1 ZINC000249255317 549573143 /nfs/dbraw/zinc/57/31/43/549573143.db2.gz YJMHATVDSCYGMD-KGLIPLIRSA-N 0 3 358.467 2.320 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000249539020 549602788 /nfs/dbraw/zinc/60/27/88/549602788.db2.gz DIURWJRLIZSQNJ-KCXAZCMYSA-N 0 3 356.388 2.304 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)C1 ZINC000249755724 549625471 /nfs/dbraw/zinc/62/54/71/549625471.db2.gz HCDRSJZXSMSIJQ-IAGOWNOFSA-N 0 3 373.501 2.234 10 0 FEAEHN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CCN4CCC[C@H]4C3)C2)c1 ZINC000249816927 549631814 /nfs/dbraw/zinc/63/18/14/549631814.db2.gz CLFAEGPDMDCLDI-ICSRJNTNSA-N 0 3 369.509 2.462 10 0 FEAEHN C[C@H](O)CN1CCN(CCc2cc(Cl)c3c(c2)OCCCO3)C[C@@H]1C ZINC000252733878 549678733 /nfs/dbraw/zinc/67/87/33/549678733.db2.gz SWUJHQUTBFYLLJ-GJZGRUSLSA-N 0 3 368.905 2.431 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O ZINC000253542945 549692830 /nfs/dbraw/zinc/69/28/30/549692830.db2.gz ZDEQOWWFWFXSPT-OLZOCXBDSA-N 0 3 357.454 2.251 10 0 FEAEHN CC(C)n1cc(CN2CCC3(CC[C@H](CN4CCOCC4)O3)CC2)cn1 ZINC000257188464 549714731 /nfs/dbraw/zinc/71/47/31/549714731.db2.gz FNCITFDPEJFPQT-LJQANCHMSA-N 0 3 362.518 2.310 10 0 FEAEHN COc1cc(-c2noc(C3(CN)CCOCC3)n2)cc(Cl)c1OC ZINC000261619482 549734905 /nfs/dbraw/zinc/73/49/05/549734905.db2.gz FYIIJUKFKAOGCC-UHFFFAOYSA-N 0 3 353.806 2.414 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000261749001 549751518 /nfs/dbraw/zinc/75/15/18/549751518.db2.gz MOHZPGMWENTQQZ-ISTRZQFTSA-N 0 3 366.303 2.318 10 0 FEAEHN Cc1nc(-c2nc([C@H]3CNCCN3C)no2)nn1-c1ccccc1C(C)C ZINC000263131074 549880304 /nfs/dbraw/zinc/88/03/04/549880304.db2.gz BSHHYSIQYDCILE-MRXNPFEDSA-N 0 3 367.457 2.325 10 0 FEAEHN COc1cc(Br)ccc1-c1nc([C@@H]2CNCCN2C)no1 ZINC000263187887 549884668 /nfs/dbraw/zinc/88/46/68/549884668.db2.gz HOJOOJBTTCKTDQ-NSHDSACASA-N 0 3 353.220 2.084 10 0 FEAEHN CN1CCNC[C@H]1c1noc(C2CCN(C(=O)Nc3ccccc3)CC2)n1 ZINC000263198665 549885026 /nfs/dbraw/zinc/88/50/26/549885026.db2.gz IRZGEVGPPUIDHT-INIZCTEOSA-N 0 3 370.457 2.057 10 0 FEAEHN O[C@@H](CNc1cc(N2CCCCC2)ncn1)CN1CCc2ccccc2C1 ZINC000301519558 553657510 /nfs/dbraw/zinc/65/75/10/553657510.db2.gz KWLUVXHUZQQROQ-IBGZPJMESA-N 0 3 367.497 2.298 10 0 FEAEHN COc1cccc(-c2noc(N3CCC[C@@H]3CN3CCC[C@@H]3CO)n2)c1 ZINC000301717025 553674147 /nfs/dbraw/zinc/67/41/47/553674147.db2.gz KNZROURSOGLCCU-HZPDHXFCSA-N 0 3 358.442 2.171 10 0 FEAEHN CC(C)Oc1nccnc1N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000302204777 553710308 /nfs/dbraw/zinc/71/03/08/553710308.db2.gz CRNDIXNCRUZSIR-UHFFFAOYSA-N 0 3 356.474 2.047 10 0 FEAEHN CCN1C[C@@H](C)[C@H](NCc2ncc(I)s2)C1 ZINC000381742889 558603692 /nfs/dbraw/zinc/60/36/92/558603692.db2.gz PKSOITKLSHKKMS-RKDXNWHRSA-N 0 3 351.257 2.178 10 0 FEAEHN CN(C)C(=O)CN1CC[C@@]2(C1)CCCN(CCCc1ccccc1)C2=O ZINC000426404406 559734103 /nfs/dbraw/zinc/73/41/03/559734103.db2.gz VTWKPRJJWKIQMZ-OAQYLSRUSA-N 0 3 357.498 2.022 10 0 FEAEHN Cc1sc(Br)cc1S(=O)(=O)N(C)C[C@H]1CCN(C)C1 ZINC000094871234 568151571 /nfs/dbraw/zinc/15/15/71/568151571.db2.gz LLKPLVGTUMXVTM-JTQLQIEISA-N 0 3 367.334 2.391 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2c(C)cc[nH]c2=O)C1 ZINC000190533778 571112676 /nfs/dbraw/zinc/11/26/76/571112676.db2.gz LPXPBNHMFJLEOR-AWEZNQCLSA-N 0 3 360.483 2.455 10 0 FEAEHN Cc1ccc(OC[C@H](O)CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000025695797 670064179 /nfs/dbraw/zinc/06/41/79/670064179.db2.gz ZSVMTZQJDLKALR-DOTOQJQBSA-N 0 3 363.479 2.489 10 0 FEAEHN Cc1ccsc1-c1nn(CN2CCO[C@H](CN(C)C)C2)c(=S)o1 ZINC000153009577 672192312 /nfs/dbraw/zinc/19/23/12/672192312.db2.gz GTIHGLCYHLQRNI-GFCCVEGCSA-N 0 3 354.501 2.462 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000174237146 672359179 /nfs/dbraw/zinc/35/91/79/672359179.db2.gz IUEBQIDAULEWTJ-HUUCEWRRSA-N 0 3 354.495 2.169 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000237006466 672805566 /nfs/dbraw/zinc/80/55/66/672805566.db2.gz VGSWOOHMHZBQQP-QMTHXVAHSA-N 0 3 359.467 2.214 10 0 FEAEHN CC[C@H](NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccc(F)cn1 ZINC000702767448 673058693 /nfs/dbraw/zinc/05/86/93/673058693.db2.gz YJLLUUSAZWIJDJ-NOLJZWGESA-N 0 3 353.438 2.489 10 0 FEAEHN C[C@@H]1CCc2nc(CNC[C@@H]3CC(=O)N(C)[C@H]3c3cnn(C)c3)sc2C1 ZINC000328625482 210114024 /nfs/dbraw/zinc/11/40/24/210114024.db2.gz KUNJNLQRTLNMNG-QHRIQVFBSA-N 0 3 373.526 2.311 10 0 FEAEHN CN(C)C[C@H](NC(=O)CCn1c2ccccc2n(C)c1=O)c1ccccc1 ZINC000029954321 539870052 /nfs/dbraw/zinc/87/00/52/539870052.db2.gz CCMSHFVKVRLOCY-KRWDZBQOSA-N 0 3 366.465 2.149 10 0 FEAEHN CN(C)C[C@H](NC(=O)N[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1 ZINC000045185816 540206171 /nfs/dbraw/zinc/20/61/71/540206171.db2.gz MRIIHKFOSCTREQ-MSOLQXFVSA-N 0 3 368.485 2.048 10 0 FEAEHN CC(C(=O)N[C@H](C)c1ccccc1)S(=O)(=O)Cc1nc(C2CC2)no1 ZINC000046137281 540243822 /nfs/dbraw/zinc/24/38/22/540243822.db2.gz TXADHWQPTSUILC-VXGBXAGGSA-N 0 3 363.439 2.128 10 0 FEAEHN O=C(NCCOc1ccc2ccccc2c1)NC[C@H](O)CN1CCCCC1 ZINC000049175031 540384291 /nfs/dbraw/zinc/38/42/91/540384291.db2.gz HPUJHGDTDXIKRN-IBGZPJMESA-N 0 3 371.481 2.365 10 0 FEAEHN Cc1ccccc1CN1CCC(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000051117278 540422809 /nfs/dbraw/zinc/42/28/09/540422809.db2.gz AZQPOEOLBGSBGG-QZTJIDSGSA-N 0 3 359.514 2.185 10 0 FEAEHN CC(=O)N[C@@H]1CCCN(CCC(=O)Nc2ccccc2Br)C1 ZINC000077170116 542351145 /nfs/dbraw/zinc/35/11/45/542351145.db2.gz ZEAXWTHNQGDKNV-CYBMUJFWSA-N 0 3 368.275 2.378 10 0 FEAEHN CC(C)c1nc(CS(=O)(=O)C(C)C(=O)N[C@H](C)c2ccccc2)no1 ZINC000098151816 543024080 /nfs/dbraw/zinc/02/40/80/543024080.db2.gz QDAJLYBECWZVTN-CHWSQXEVSA-N 0 3 365.455 2.374 10 0 FEAEHN CCCC(=O)N[C@@H]1CCCN(C[C@H](O)Cn2cnc3cc(C)c(C)cc32)C1 ZINC000101563241 543033171 /nfs/dbraw/zinc/03/31/71/543033171.db2.gz YENKCSGOZAWFRR-MSOLQXFVSA-N 0 3 372.513 2.395 10 0 FEAEHN CCOCCN1CCN(CCCOc2ccc3c(c2)OCO3)C[C@@H]1C ZINC000106110659 543199864 /nfs/dbraw/zinc/19/98/64/543199864.db2.gz ZJUDMEDYKWBUKK-INIZCTEOSA-N 0 3 350.459 2.227 10 0 FEAEHN CC[C@H]1CN(Cc2cccc(C(=O)NCC(C)C)c2)CCN1C[C@@H](C)O ZINC000106101368 543197429 /nfs/dbraw/zinc/19/74/29/543197429.db2.gz IETYCCGVSVCOOR-XLIONFOSSA-N 0 3 361.530 2.349 10 0 FEAEHN Cc1ccc(NC(=O)CN(C)C2CCN(CCn3cccn3)CC2)cc1 ZINC000106130671 543205997 /nfs/dbraw/zinc/20/59/97/543205997.db2.gz NCBXORDELOESOF-UHFFFAOYSA-N 0 3 355.486 2.226 10 0 FEAEHN CCOCCN1CCN([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C[C@@H]1CC ZINC000106119062 543204001 /nfs/dbraw/zinc/20/40/01/543204001.db2.gz FDBGFQPAKBTDBQ-HOTGVXAUSA-N 0 3 358.486 2.417 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)COc2ccccc2C(C)C)CCN1C[C@@H](C)O ZINC000107074286 543261128 /nfs/dbraw/zinc/26/11/28/543261128.db2.gz LJHBZFMAKXIOGH-QRVBRYPASA-N 0 3 364.530 2.327 10 0 FEAEHN Cc1noc(C)c1[C@H](C)C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000109292732 543320699 /nfs/dbraw/zinc/32/06/99/543320699.db2.gz BKNCAZHJBRJHSU-AWEZNQCLSA-N 0 3 359.474 2.214 10 0 FEAEHN Cc1ncc(CN2CCN(C(=O)N[C@H](CC(C)C)CN(C)C)CC2)s1 ZINC000111826817 543418218 /nfs/dbraw/zinc/41/82/18/543418218.db2.gz JAXHQSIAPIVKNF-MRXNPFEDSA-N 0 3 367.563 2.255 10 0 FEAEHN CCc1noc([C@H](C)N2CCN(C(=O)[C@H](C)N3[C@H](C)CC[C@@H]3C)CC2)n1 ZINC000112117365 543431016 /nfs/dbraw/zinc/43/10/16/543431016.db2.gz YSIQQOGMRWYZQN-FZKCQIBNSA-N 0 3 363.506 2.099 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@H](C)C(=O)Nc1ccc(SC)cc1)CC2 ZINC000112550846 543451222 /nfs/dbraw/zinc/45/12/22/543451222.db2.gz OZBSHGBIHPDPQB-OCCSQVGLSA-N 0 3 359.499 2.494 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)COc3ccccc3F)CC2)nc1 ZINC000114414542 543514534 /nfs/dbraw/zinc/51/45/34/543514534.db2.gz WBWXILLZWCZROK-UHFFFAOYSA-N 0 3 372.444 2.010 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000247459785 549336427 /nfs/dbraw/zinc/33/64/27/549336427.db2.gz QRRDLOIWMAZGBQ-QRQLOZEOSA-N 0 3 355.482 2.234 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C)CC2 ZINC000114946215 543546863 /nfs/dbraw/zinc/54/68/63/543546863.db2.gz XXUBQRQBXAZYHY-DLBZAZTESA-N 0 3 370.501 2.066 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NCCOc2cccc(C(C)(C)C)c2)CCO1 ZINC000117050872 543622450 /nfs/dbraw/zinc/62/24/50/543622450.db2.gz MXFFWQDGMIMJKS-GOSISDBHSA-N 0 3 363.502 2.335 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)N1CCN(CCOC)[C@H](C)C1)c1ccco1 ZINC000117486181 543633569 /nfs/dbraw/zinc/63/35/69/543633569.db2.gz HFUXBWICSRKFCA-IAGOWNOFSA-N 0 3 366.506 2.025 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cccc(C)c1C(=O)OC ZINC000122986884 543735566 /nfs/dbraw/zinc/73/55/66/543735566.db2.gz PNDBUCKOYSYPGK-HUUCEWRRSA-N 0 3 366.483 2.029 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000122651974 543715617 /nfs/dbraw/zinc/71/56/17/543715617.db2.gz POWXJMOZUVWJHH-UONOGXRCSA-N 0 3 352.429 2.327 10 0 FEAEHN CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@H](CN(C)C)c2ccccc2)C1 ZINC000124310549 543813427 /nfs/dbraw/zinc/81/34/27/543813427.db2.gz KYAGCEBQKWZRCR-RBUKOAKNSA-N 0 3 374.529 2.483 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)Nc2ccn(CCc3ccncc3)n2)C1 ZINC000124738832 543839708 /nfs/dbraw/zinc/83/97/08/543839708.db2.gz WBOASIGHJMHUAD-WBVHZDCISA-N 0 3 356.474 2.371 10 0 FEAEHN C[C@@H](O)CN1CCN(CCOc2ccccc2Br)C[C@H]1C ZINC000126635630 543948423 /nfs/dbraw/zinc/94/84/23/543948423.db2.gz GZVJUQBZPVZQOB-ZIAGYGMSSA-N 0 3 357.292 2.215 10 0 FEAEHN CCCCNC(=O)[C@@H]1CCCN(C(=O)N[C@H](CC(C)C)CN(C)C)C1 ZINC000127296991 543983854 /nfs/dbraw/zinc/98/38/54/543983854.db2.gz QEXVETAXLGMJOO-IAGOWNOFSA-N 0 3 354.539 2.301 10 0 FEAEHN CCc1nnc(-c2ccc(NC(=O)N3CCO[C@H](CN(C)C)C3)cc2)o1 ZINC000129672545 544122730 /nfs/dbraw/zinc/12/27/30/544122730.db2.gz XUHRBNZHQIGZQY-OAHLLOKOSA-N 0 3 359.430 2.093 10 0 FEAEHN Cc1nc(CN2CCOCC3(CCN([C@H]4CCOC4)CC3)C2)cs1 ZINC000096078210 222013495 /nfs/dbraw/zinc/01/34/95/222013495.db2.gz ZEGIVVIVKWLGIH-KRWDZBQOSA-N 0 3 351.516 2.155 10 0 FEAEHN COC(=O)c1ccccc1-c1ccc(CN2CCO[C@H](CN(C)C)C2)o1 ZINC000132058942 544217419 /nfs/dbraw/zinc/21/74/19/544217419.db2.gz LBWOQYAQGGPZFN-MRXNPFEDSA-N 0 3 358.438 2.496 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)C1 ZINC000133973467 544289917 /nfs/dbraw/zinc/28/99/17/544289917.db2.gz AUNQIKBPIPHMHL-OCCSQVGLSA-N 0 3 354.857 2.403 10 0 FEAEHN CCCn1cc(CN2CCCN(C(=O)[C@H]3CCCc4[nH]ncc43)CC2)cn1 ZINC000134397487 544306734 /nfs/dbraw/zinc/30/67/34/544306734.db2.gz FOCLUPGXMOTXGH-KRWDZBQOSA-N 0 3 370.501 2.171 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccccc1N(C)S(C)(=O)=O ZINC000136241740 544369761 /nfs/dbraw/zinc/36/97/61/544369761.db2.gz IZCIKAXHPXXCCP-AWEZNQCLSA-N 0 3 368.503 2.030 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000151057764 544499737 /nfs/dbraw/zinc/49/97/37/544499737.db2.gz ADAUDBYCADGJMO-HOTGVXAUSA-N 0 3 361.534 2.095 10 0 FEAEHN C[C@H](NC[C@H](O)CN1CCc2ccccc2C1)c1ccc([S@](C)=O)cc1 ZINC000151793674 544580171 /nfs/dbraw/zinc/58/01/71/544580171.db2.gz CYHLBFXAFKKYIF-SKNUGPPASA-N 0 3 372.534 2.494 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1cccc(-c2ncco2)c1 ZINC000152854580 544703298 /nfs/dbraw/zinc/70/32/98/544703298.db2.gz JCXSWBYNVGFKCM-MRXNPFEDSA-N 0 3 358.442 2.373 10 0 FEAEHN CCc1ccc([C@@H](C)NCC(=O)NCc2ccc(OCC(N)=O)cc2)cc1 ZINC000154936319 544967824 /nfs/dbraw/zinc/96/78/24/544967824.db2.gz GHDUSYWQLBCMRC-OAHLLOKOSA-N 0 3 369.465 2.080 10 0 FEAEHN C[C@@H](NC(=O)NC[C@H](O)CN1CCCCC1)c1cccc(N2CCCC2)c1 ZINC000155216676 545002810 /nfs/dbraw/zinc/00/28/10/545002810.db2.gz JCWPRSVKLDXKCS-XLIONFOSSA-N 0 3 374.529 2.494 10 0 FEAEHN C[C@H](NC(=O)NC[C@@H](O)CN1CCCCC1)c1cccc(N2CCCC2)c1 ZINC000155216776 545003131 /nfs/dbraw/zinc/00/31/31/545003131.db2.gz JCWPRSVKLDXKCS-FXAWDEMLSA-N 0 3 374.529 2.494 10 0 FEAEHN CN(C)C[C@@H](NC(=O)c1ccnc(O[C@@H]2CCOC2)c1)c1ccccc1 ZINC000182372588 327772496 /nfs/dbraw/zinc/77/24/96/327772496.db2.gz JWGYMXKWWGLOPT-QZTJIDSGSA-N 0 3 355.438 2.282 10 0 FEAEHN C[C@H]1CN(Cc2cnn(Cc3ccc(F)cc3)c2)C[C@@H]1N1CCOCC1 ZINC000187434154 328025268 /nfs/dbraw/zinc/02/52/68/328025268.db2.gz AFQLKLOEALUIJQ-JXFKEZNVSA-N 0 3 358.461 2.223 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(F)ccc1OC(F)F ZINC000190077067 328186068 /nfs/dbraw/zinc/18/60/68/328186068.db2.gz FEOXLMGUBXAXQO-CMPLNLGQSA-N 0 3 371.359 2.061 10 0 FEAEHN CC(C)OCc1cccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1 ZINC000190108650 328188753 /nfs/dbraw/zinc/18/87/53/328188753.db2.gz LYVDFLMWRJBNPK-MAUKXSAKSA-N 0 3 359.470 2.245 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc2cnn(CC)c2c1 ZINC000190356195 328202416 /nfs/dbraw/zinc/20/24/16/328202416.db2.gz QOGBLXJCXWQGHL-DLBZAZTESA-N 0 3 369.469 2.080 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)cc1 ZINC000190612184 328219501 /nfs/dbraw/zinc/21/95/01/328219501.db2.gz NQJXROCNYOZUQI-GOSISDBHSA-N 0 3 366.465 2.309 10 0 FEAEHN COCC[C@H](C)NC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000190704651 328226090 /nfs/dbraw/zinc/22/60/90/328226090.db2.gz CGYLXUSDSKJARN-ZFWWWQNUSA-N 0 3 354.520 2.340 10 0 FEAEHN C[C@@H](O)CC(C)(C)CNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190718927 328227252 /nfs/dbraw/zinc/22/72/52/328227252.db2.gz SZEYULRGYAZNFS-SJLPKXTDSA-N 0 3 362.518 2.342 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ncc(C(C)C)s1 ZINC000190830013 328234687 /nfs/dbraw/zinc/23/46/87/328234687.db2.gz WVVDECGXVQDNPA-QWHCGFSZSA-N 0 3 350.488 2.290 10 0 FEAEHN CCOC(=O)C1CCC(O)(CN2CCN(CC(F)F)[C@H](CC)C2)CC1 ZINC000191017337 328245718 /nfs/dbraw/zinc/24/57/18/328245718.db2.gz PJUVCWLKDUXULA-SWKXRBFHSA-N 0 3 362.461 2.132 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1nc(C(C)C)cs1 ZINC000193215779 328362971 /nfs/dbraw/zinc/36/29/71/328362971.db2.gz QTWUGALHWTWIPM-CYBMUJFWSA-N 0 3 352.504 2.442 10 0 FEAEHN C[C@@H]1[NH2+]CCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000193450646 328376312 /nfs/dbraw/zinc/37/63/12/328376312.db2.gz FRQFPGDEWDPVJF-GZMMTYOYSA-N 0 3 351.241 2.007 10 0 FEAEHN CN(C)C[C@@H](NC(=O)N[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1 ZINC000045185817 324571070 /nfs/dbraw/zinc/57/10/70/324571070.db2.gz MRIIHKFOSCTREQ-QZTJIDSGSA-N 0 3 368.485 2.048 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1 ZINC000236919800 328497891 /nfs/dbraw/zinc/49/78/91/328497891.db2.gz RJOXVEMEQIDFPE-LKFCYVNXSA-N 0 3 350.444 2.351 10 0 FEAEHN CNc1cc(N2CCC[C@@H]2CNCc2cccc3c2OCCO3)ncn1 ZINC000237101151 328504707 /nfs/dbraw/zinc/50/47/07/328504707.db2.gz SHMZTSOGFDMWDD-OAHLLOKOSA-N 0 3 355.442 2.048 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)N1CCC[C@H](NC(C)=O)C1)c1ccsc1 ZINC000079251094 325083774 /nfs/dbraw/zinc/08/37/74/325083774.db2.gz VAUADSJLZLLQJK-IRXDYDNUSA-N 0 3 366.531 2.441 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)nc1 ZINC000114539290 325903088 /nfs/dbraw/zinc/90/30/88/325903088.db2.gz ZUGOGXGDWPHRLQ-UHFFFAOYSA-N 0 3 367.497 2.172 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCN(C3CCC(C)CC3)CC1)CC2 ZINC000115830601 325980783 /nfs/dbraw/zinc/98/07/83/325980783.db2.gz OCDZGFJUSUKLQH-CGZBRXJRSA-N 0 3 374.533 2.061 10 0 FEAEHN O=C(CCN1CCC[C@@H]1c1ccco1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000116295223 326003794 /nfs/dbraw/zinc/00/37/94/326003794.db2.gz FDZPOWURRQRAHE-CQSZACIVSA-N 0 3 374.441 2.093 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000116788998 326035928 /nfs/dbraw/zinc/03/59/28/326035928.db2.gz FRBLUBUOSXFPEG-MRXNPFEDSA-N 0 3 363.845 2.327 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)CCO1 ZINC000116797353 326036728 /nfs/dbraw/zinc/03/67/28/326036728.db2.gz ZXSMXDWOMBPBPC-QGZVFWFLSA-N 0 3 354.454 2.152 10 0 FEAEHN CCOCCN1CCN(C(=O)NC[C@@H](c2ccco2)N(C)C)C[C@@H]1CC ZINC000117024795 326047757 /nfs/dbraw/zinc/04/77/57/326047757.db2.gz AIIKLLFZBCSNKX-IRXDYDNUSA-N 0 3 366.506 2.025 10 0 FEAEHN C[C@@H](NC(=O)N1CCO[C@H](CN(C)C)C1)c1cccc(OC(F)F)c1 ZINC000117032421 326048593 /nfs/dbraw/zinc/04/85/93/326048593.db2.gz IAVSWKACLOPIGH-IUODEOHRSA-N 0 3 357.401 2.321 10 0 FEAEHN CC(C)CC(=O)Nc1ccc(NC(=O)N2CCO[C@@H](CN(C)C)C2)cc1 ZINC000118799347 326102949 /nfs/dbraw/zinc/10/29/49/326102949.db2.gz HXQOYMIFGGIGQI-KRWDZBQOSA-N 0 3 362.474 2.466 10 0 FEAEHN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000118804018 326103616 /nfs/dbraw/zinc/10/36/16/326103616.db2.gz SWIUYQLDXAGNML-INIZCTEOSA-N 0 3 360.458 2.138 10 0 FEAEHN CCc1ccc([C@@H](C)NCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000120441423 326259119 /nfs/dbraw/zinc/25/91/19/326259119.db2.gz AFIFYZUFSKHKNA-CYBMUJFWSA-N 0 3 361.467 2.186 10 0 FEAEHN C[C@@H](O)CN1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)C[C@H]1C ZINC000120593429 326271083 /nfs/dbraw/zinc/27/10/83/326271083.db2.gz OVGFTFWCBZMTDY-CHWSQXEVSA-N 0 3 350.413 2.242 10 0 FEAEHN COc1ccc(Br)c(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000120609050 326272577 /nfs/dbraw/zinc/27/25/77/326272577.db2.gz VJENLTQXCAERAH-QWHCGFSZSA-N 0 3 357.292 2.345 10 0 FEAEHN CC[C@@H]1CN(Cc2cc(OC)c(OC)cc2OC)CCN1CCOC ZINC000120946045 326300938 /nfs/dbraw/zinc/30/09/38/326300938.db2.gz XAJNFOPDBCCASA-MRXNPFEDSA-N 0 3 352.475 2.255 10 0 FEAEHN CCOCCN1CCN(Cc2cn(C)nc2-c2ccncc2)C[C@H]1CC ZINC000121012540 326306369 /nfs/dbraw/zinc/30/63/69/326306369.db2.gz WQKRLTDYPNDGDA-LJQANCHMSA-N 0 3 357.502 2.415 10 0 FEAEHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1)c1nnc2n1CCCC2 ZINC000121344992 326331225 /nfs/dbraw/zinc/33/12/25/326331225.db2.gz AHEGMCDFHGEQMF-INIZCTEOSA-N 0 3 370.501 2.449 10 0 FEAEHN O=C(NC[C@@H](O)CN1CCCCC1)Nc1cc(F)ccc1OC(F)F ZINC000121507706 326343862 /nfs/dbraw/zinc/34/38/62/326343862.db2.gz TVRPHCPYSYPRBO-GFCCVEGCSA-N 0 3 361.364 2.395 10 0 FEAEHN CN(Cc1cc(Cl)cc2c1OCOC2)C1CCN(S(C)(=O)=O)CC1 ZINC000121687717 326358125 /nfs/dbraw/zinc/35/81/25/326358125.db2.gz KHGBTSCKYVPCIC-UHFFFAOYSA-N 0 3 374.890 2.062 10 0 FEAEHN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccccc1OCCN(C)C ZINC000151110012 326675033 /nfs/dbraw/zinc/67/50/33/326675033.db2.gz JJZRBNQOYJXROR-HNNXBMFYSA-N 0 3 357.458 2.046 10 0 FEAEHN Cc1cccc([C@@H](NC(=O)N2CCO[C@@H](CN(C)C)C2)c2ccccn2)c1 ZINC000153082611 326723432 /nfs/dbraw/zinc/72/34/32/326723432.db2.gz WUAZQGLVJURNAS-AZUAARDMSA-N 0 3 368.481 2.451 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000170844088 327102204 /nfs/dbraw/zinc/10/22/04/327102204.db2.gz NEODKKTUCHCDMJ-JTQLQIEISA-N 0 3 361.389 2.400 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000170844966 327102280 /nfs/dbraw/zinc/10/22/80/327102280.db2.gz BUJSYPFYMFVWQA-JTQLQIEISA-N 0 3 363.767 2.460 10 0 FEAEHN COc1ccc([C@H]2CCCN2C(=O)CN2CCN3CCC[C@@H]3C2)c(OC)c1 ZINC000170958785 327110304 /nfs/dbraw/zinc/11/03/04/327110304.db2.gz UIYDRDADTIUEGV-VQIMIIECSA-N 0 3 373.497 2.147 10 0 FEAEHN Cc1c(C(=O)N2CCN3CCC[C@@H]3C2)nnn1-c1cccc2ncccc21 ZINC000170999038 327111528 /nfs/dbraw/zinc/11/15/28/327111528.db2.gz VWPOJCMKGKHNPB-OAHLLOKOSA-N 0 3 362.437 2.044 10 0 FEAEHN COc1ccc2cc(NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C)ccc2n1 ZINC000171346117 327133529 /nfs/dbraw/zinc/13/35/29/327133529.db2.gz UPVLWHUGMVQVSW-INIZCTEOSA-N 0 3 372.469 2.274 10 0 FEAEHN O=C(NC[C@@H](O)CN1CCCCC1)N[C@@H](c1nccs1)c1ccccc1 ZINC000171445815 327140116 /nfs/dbraw/zinc/14/01/16/327140116.db2.gz UVXXRSZSIKJVEY-IAGOWNOFSA-N 0 3 374.510 2.379 10 0 FEAEHN Cc1cccc(NC[C@@H]2CCN(CC(=O)NCCOc3ccccc3)C2)n1 ZINC000171651890 327152114 /nfs/dbraw/zinc/15/21/14/327152114.db2.gz KUYVFWFABHNNJV-SFHVURJKSA-N 0 3 368.481 2.319 10 0 FEAEHN Cc1noc([C@@H](C)N2CCN(C(=O)Nc3cccc(CN(C)C)c3)CC2)n1 ZINC000171806434 327162823 /nfs/dbraw/zinc/16/28/23/327162823.db2.gz WOSONUMXBFTALE-CQSZACIVSA-N 0 3 372.473 2.350 10 0 FEAEHN COc1ccc(Br)cc1CNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171905470 327169363 /nfs/dbraw/zinc/16/93/63/327169363.db2.gz DBJZGIPSBUHGMU-CQSZACIVSA-N 0 3 368.275 2.447 10 0 FEAEHN CC(C)c1nc(C(=O)N2CCN3CCC[C@@H]3C2)nn1-c1cccc(F)c1 ZINC000172120132 327181829 /nfs/dbraw/zinc/18/18/29/327181829.db2.gz SZOBCNUUVMTNPL-MRXNPFEDSA-N 0 3 357.433 2.450 10 0 FEAEHN CC(C)(C)OC(=O)NC1CCC(NC(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000172511558 327204656 /nfs/dbraw/zinc/20/46/56/327204656.db2.gz FSWSTKAKCADSCE-GPANFISMSA-N 0 3 366.506 2.312 10 0 FEAEHN CC[C@@H]1CN(Cc2ccc3oc(C(=O)OC)cc3c2)CCN1C[C@@H](C)O ZINC000172791177 327219077 /nfs/dbraw/zinc/21/90/77/327219077.db2.gz VYACAQFWEARAHO-RHSMWYFYSA-N 0 3 360.454 2.496 10 0 FEAEHN O=C(NC1CCN(Cc2ccccc2)CC1)N1CCC[C@H](n2cncn2)C1 ZINC000173305199 327248494 /nfs/dbraw/zinc/24/84/94/327248494.db2.gz JMENCSYSPQFLOA-IBGZPJMESA-N 0 3 368.485 2.289 10 0 FEAEHN CCc1ccc([C@H](CNC(=O)N2CCC[C@H](n3cncn3)C2)N(C)C)cc1 ZINC000173412719 327254663 /nfs/dbraw/zinc/25/46/63/327254663.db2.gz YXNMCFPWQHAILF-OALUTQOASA-N 0 3 370.501 2.490 10 0 FEAEHN Cc1ccc(NC(=O)N2CCC[C@@H](n3cncn3)C2)c(OCCN(C)C)c1 ZINC000173476416 327260184 /nfs/dbraw/zinc/26/01/84/327260184.db2.gz HIWKDHKIKAIYHY-MRXNPFEDSA-N 0 3 372.473 2.396 10 0 FEAEHN Cc1ccc(NC(=O)N2CCC[C@H](n3cncn3)C2)c(OCCN(C)C)c1 ZINC000173476404 327260218 /nfs/dbraw/zinc/26/02/18/327260218.db2.gz HIWKDHKIKAIYHY-INIZCTEOSA-N 0 3 372.473 2.396 10 0 FEAEHN O=C(NCC1CCN(C[C@H](O)c2ccccc2)CC1)N1CCSCC1 ZINC000173495942 327261226 /nfs/dbraw/zinc/26/12/26/327261226.db2.gz KNZYYXHXBNEXCT-SFHVURJKSA-N 0 3 363.527 2.190 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000173744172 327280721 /nfs/dbraw/zinc/28/07/21/327280721.db2.gz RXRRDVZYVPGQDK-UKRRQHHQSA-N 0 3 369.421 2.422 10 0 FEAEHN CCN1CCN(c2ccc(C(=O)N3CCN4CCCC[C@H]4C3)cc2)CC1 ZINC000173748826 327281151 /nfs/dbraw/zinc/28/11/51/327281151.db2.gz WMHQCBJMDPYULK-FQEVSTJZSA-N 0 3 356.514 2.139 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCc3c(cccc3N3CCOC3=O)C2)C1 ZINC000174237038 327314805 /nfs/dbraw/zinc/31/48/05/327314805.db2.gz YDPLJVATGJBARP-MRXNPFEDSA-N 0 3 372.469 2.195 10 0 FEAEHN COCCN1CCC(NC(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000174360160 327322104 /nfs/dbraw/zinc/32/21/04/327322104.db2.gz PMGMGLNBVHAGDT-INIZCTEOSA-N 0 3 371.485 2.343 10 0 FEAEHN Cc1nn(C)c(C)c1C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000174850054 327355110 /nfs/dbraw/zinc/35/51/10/327355110.db2.gz ZYQPVMWOOUXAJO-IBGZPJMESA-N 0 3 370.497 2.212 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)c1cnn(-c2ccccc2)c1 ZINC000174989540 327365899 /nfs/dbraw/zinc/36/58/99/327365899.db2.gz GLRRALOHBVISON-FUHWJXTLSA-N 0 3 352.438 2.140 10 0 FEAEHN CCN1CCC[C@H]1CN(C)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000175351295 327388663 /nfs/dbraw/zinc/38/86/63/327388663.db2.gz STGLWRPKQYVMAY-SFHVURJKSA-N 0 3 358.486 2.168 10 0 FEAEHN CC[C@H](CNC(=O)NC[C@H](O)CN1CCCCC1)Oc1cccc(C)c1 ZINC000176835436 327478807 /nfs/dbraw/zinc/47/88/07/327478807.db2.gz HGFVWXCHUUIHAM-ZWKOTPCHSA-N 0 3 363.502 2.298 10 0 FEAEHN CNC(=O)[C@H](NC(=O)NC1CCN(Cc2ccccc2C)CC1)C(C)C ZINC000178441315 327585249 /nfs/dbraw/zinc/58/52/49/327585249.db2.gz FKIDUPNOGUXFPI-GOSISDBHSA-N 0 3 360.502 2.029 10 0 FEAEHN C[C@H](NC(=O)CN1CCO[C@@H](CN(C)C)C1)c1ccc(Cl)cc1Cl ZINC000246767123 328644404 /nfs/dbraw/zinc/64/44/04/328644404.db2.gz YMEOPBMMKBQQJT-JSGCOSHPSA-N 0 3 374.312 2.433 10 0 FEAEHN NC1(C(=O)NCC2(c3ccc(Br)cc3)CCC2)CCOCC1 ZINC000261654408 328809127 /nfs/dbraw/zinc/80/91/27/328809127.db2.gz AQQUZPGLHKMGSL-UHFFFAOYSA-N 0 3 367.287 2.495 10 0 FEAEHN Cc1nn(-c2ccc(F)cc2)c(C)c1Cc1nc([C@H]2CNCCN2C)no1 ZINC000263158458 328920827 /nfs/dbraw/zinc/92/08/27/328920827.db2.gz DRCDEPFBYSJPDH-QGZVFWFLSA-N 0 3 370.432 2.178 10 0 FEAEHN Cc1noc(CSc2ccc(-c3nc([C@H]4CNCCN4C)no3)cc2)n1 ZINC000263267151 328929376 /nfs/dbraw/zinc/92/93/76/328929376.db2.gz RRKSOOKMDGSVOG-CQSZACIVSA-N 0 3 372.454 2.296 10 0 FEAEHN Cc1coc(-c2cc(NC(=O)C(=O)N3CC[C@@H](N(C)C)C3)ccc2C)n1 ZINC000155819421 545572997 /nfs/dbraw/zinc/57/29/97/545572997.db2.gz QZGFKITXYVTNET-OAHLLOKOSA-N 0 3 356.426 2.059 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2cccc(N3CCCCCC3)c2)C1 ZINC000156687409 545647859 /nfs/dbraw/zinc/64/78/59/545647859.db2.gz PMTDXXRRNDNNNS-SFHVURJKSA-N 0 3 358.486 2.168 10 0 FEAEHN CN(CCNC(=O)N1CCC(c2ccnn2C)CC1)Cc1ccccc1 ZINC000157489613 545746293 /nfs/dbraw/zinc/74/62/93/545746293.db2.gz GCMAWWQPXKSNMJ-UHFFFAOYSA-N 0 3 355.486 2.441 10 0 FEAEHN CCC[C@H](C(=O)NC[C@H](O)COc1ccccc1Br)N(C)C ZINC000157773984 545780051 /nfs/dbraw/zinc/78/00/51/545780051.db2.gz JDESFKLAQVTFHE-GXTWGEPZSA-N 0 3 373.291 2.035 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000158676933 545883753 /nfs/dbraw/zinc/88/37/53/545883753.db2.gz RJNNOXZXOMSVKH-LLVKDONJSA-N 0 3 364.243 2.067 10 0 FEAEHN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000158836774 545899347 /nfs/dbraw/zinc/89/93/47/545899347.db2.gz OFAWGKDJEBUGAM-QXAKKESOSA-N 0 3 357.498 2.331 10 0 FEAEHN C[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(-n2cnnn2)cc1 ZINC000159086244 545920884 /nfs/dbraw/zinc/92/08/84/545920884.db2.gz KATXAALSIGWSNE-KBPBESRZSA-N 0 3 371.466 2.478 10 0 FEAEHN Cc1cccc(O[C@H](C)C(=O)NC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000159311798 545942346 /nfs/dbraw/zinc/94/23/46/545942346.db2.gz SEQQLORMJUAIOL-XLIONFOSSA-N 0 3 368.477 2.298 10 0 FEAEHN Cc1csc([C@H](NC(=O)NC[C@@H](O)CN2CCCCC2)C2CC2)n1 ZINC000175835744 546359556 /nfs/dbraw/zinc/35/95/56/546359556.db2.gz OEBMYZRYEHZGDE-HUUCEWRRSA-N 0 3 352.504 2.049 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(S(=O)(=O)CC)cc1 ZINC000176284752 546426700 /nfs/dbraw/zinc/42/67/00/546426700.db2.gz ZQQHGIFOGGVEJT-OAHLLOKOSA-N 0 3 353.488 2.428 10 0 FEAEHN C[C@@H](O)CN1CCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC000176817609 546492566 /nfs/dbraw/zinc/49/25/66/546492566.db2.gz YBTNSFLZAYMVAW-UONOGXRCSA-N 0 3 373.419 2.421 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCC(CC(=O)N3CCCC3)CC2)C1 ZINC000176841108 546495004 /nfs/dbraw/zinc/49/50/04/546495004.db2.gz OOEUBMWEBQUKQR-AEFFLSMTSA-N 0 3 364.534 2.149 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(COC(C)C)cc1 ZINC000176891221 546501619 /nfs/dbraw/zinc/50/16/19/546501619.db2.gz VTPNMMQSMVGVRH-GOSISDBHSA-N 0 3 361.486 2.493 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(COC(C)C)cc1 ZINC000176891246 546502010 /nfs/dbraw/zinc/50/20/10/546502010.db2.gz VTPNMMQSMVGVRH-SFHVURJKSA-N 0 3 361.486 2.493 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccccc1N1CCCC1 ZINC000176903524 546505189 /nfs/dbraw/zinc/50/51/89/546505189.db2.gz VAFCYDBDJNYORQ-INIZCTEOSA-N 0 3 358.486 2.168 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000176981073 546518141 /nfs/dbraw/zinc/51/81/41/546518141.db2.gz LUKHPFVMLRDBKH-GJZGRUSLSA-N 0 3 365.424 2.260 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)COc1cccc(N2CCCC2=O)c1 ZINC000176998789 546520738 /nfs/dbraw/zinc/52/07/38/546520738.db2.gz XSGHMVDZURAGCK-KRWDZBQOSA-N 0 3 359.470 2.135 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000177007791 546522737 /nfs/dbraw/zinc/52/27/37/546522737.db2.gz NEOBHKRPVWUPOU-INIZCTEOSA-N 0 3 360.454 2.363 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000177044902 546530634 /nfs/dbraw/zinc/53/06/34/546530634.db2.gz SMHOKHHTQCVSQQ-AWEZNQCLSA-N 0 3 364.877 2.426 10 0 FEAEHN CCN(Cc1ccccc1)C(=O)CNC(=O)N(C)C[C@H]1CCCN1CC ZINC000177432605 546616500 /nfs/dbraw/zinc/61/65/00/546616500.db2.gz XPXLVYZJCVXAFT-GOSISDBHSA-N 0 3 360.502 2.161 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC1CCN(C(=O)CC(C)C)CC1 ZINC000177457585 546622874 /nfs/dbraw/zinc/62/28/74/546622874.db2.gz XFIKBPAPNYCZJD-KRWDZBQOSA-N 0 3 352.523 2.149 10 0 FEAEHN CN(C)CCOc1ccccc1CNC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177464809 546624335 /nfs/dbraw/zinc/62/43/35/546624335.db2.gz QBYMUKLCMHFABL-GOSISDBHSA-N 0 3 371.485 2.198 10 0 FEAEHN Cc1n[nH]cc1C(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000177472045 546625854 /nfs/dbraw/zinc/62/58/54/546625854.db2.gz KMTPMPKZZUDWMR-LJQANCHMSA-N 0 3 356.470 2.236 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCCCc1nnc2n1CCCCC2 ZINC000177487242 546629243 /nfs/dbraw/zinc/62/92/43/546629243.db2.gz VPGPIBDYZDCWTP-MRXNPFEDSA-N 0 3 362.522 2.063 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)cc1C(F)(F)F ZINC000177685835 546667590 /nfs/dbraw/zinc/66/75/90/546667590.db2.gz LTUSDIKJSSZMCC-ZDUSSCGKSA-N 0 3 355.360 2.259 10 0 FEAEHN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)N2CCN3CCC[C@@H]3C2)c1 ZINC000178620112 546822392 /nfs/dbraw/zinc/82/23/92/546822392.db2.gz MOBKQWXWKUOCQG-ARFHVFGLSA-N 0 3 361.486 2.050 10 0 FEAEHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCN2CCC[C@@H]2C1 ZINC000178629855 546823093 /nfs/dbraw/zinc/82/30/93/546823093.db2.gz XJIUYLALRSQXSC-GOSISDBHSA-N 0 3 353.470 2.208 10 0 FEAEHN O=C(CN1CCN2CCC[C@@H]2C1)Nc1ccnn1Cc1ccccc1Cl ZINC000178626142 546823374 /nfs/dbraw/zinc/82/33/74/546823374.db2.gz XRYFUBCVOLSTHW-MRXNPFEDSA-N 0 3 373.888 2.303 10 0 FEAEHN CCOc1cccc(CNC(=O)CN2CCC[C@H]2Cn2ccnc2C)c1 ZINC000178753646 546844688 /nfs/dbraw/zinc/84/46/88/546844688.db2.gz YKUVOJNQJAOGMM-SFHVURJKSA-N 0 3 356.470 2.371 10 0 FEAEHN CC(C)c1nnc2n1C[C@@H](NC(=O)NCc1cccc(CN(C)C)c1)CC2 ZINC000181479900 547322477 /nfs/dbraw/zinc/32/24/77/547322477.db2.gz JODOHOHNSQXPKH-KRWDZBQOSA-N 0 3 370.501 2.277 10 0 FEAEHN CC[C@H](O)CN1CCN(CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000182801179 547554313 /nfs/dbraw/zinc/55/43/13/547554313.db2.gz CTPLXWZTMKFLNM-INIZCTEOSA-N 0 3 368.905 2.432 10 0 FEAEHN O=C(CCCCNC(=O)N1CCN2CCC[C@@H]2C1)OCc1ccccc1 ZINC000182925695 547572973 /nfs/dbraw/zinc/57/29/73/547572973.db2.gz QMGRXRANIXICSR-GOSISDBHSA-N 0 3 359.470 2.390 10 0 FEAEHN C[C@H](NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000183101180 547602248 /nfs/dbraw/zinc/60/22/48/547602248.db2.gz ZIPHDBDPICWTET-YJBOKZPZSA-N 0 3 359.470 2.021 10 0 FEAEHN O[C@@H](COCc1ccc(Cl)cc1)CN1CCOCC2(CCOCC2)C1 ZINC000184099242 547769537 /nfs/dbraw/zinc/76/95/37/547769537.db2.gz UZZALFIEWRCDJV-GOSISDBHSA-N 0 3 369.889 2.347 10 0 FEAEHN CCO[C@@H]1C[C@@H]([NH2+]CCCNC(=O)c2cccc([O-])c2)C12CCOCC2 ZINC000186307304 548116210 /nfs/dbraw/zinc/11/62/10/548116210.db2.gz UEPILKFUUSPYMT-QZTJIDSGSA-N 0 3 362.470 2.076 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(CC(=O)N2CCC(C)CC2)C1 ZINC000195250585 548603946 /nfs/dbraw/zinc/60/39/46/548603946.db2.gz OWZAOOFHJHLVLT-KRWDZBQOSA-N 0 3 364.559 2.464 10 0 FEAEHN COc1ccccc1NC(=O)CN1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195283833 548612276 /nfs/dbraw/zinc/61/22/76/548612276.db2.gz RMFSYBNLFQEZHD-GOSISDBHSA-N 0 3 368.481 2.483 10 0 FEAEHN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCN4CCC[C@@H]4C3)n2)n1 ZINC000195323061 548622504 /nfs/dbraw/zinc/62/25/04/548622504.db2.gz YEIDZHNSCGCPMM-CQSZACIVSA-N 0 3 359.861 2.458 10 0 FEAEHN CCC[C@H](N)C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 ZINC000236868514 548785078 /nfs/dbraw/zinc/78/50/78/548785078.db2.gz ZBBUXYRTWPWINH-VBNZEHGJSA-N 0 3 371.884 2.485 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000245430451 548917169 /nfs/dbraw/zinc/91/71/69/548917169.db2.gz LUKHPFVMLRDBKH-LSDHHAIUSA-N 0 3 365.424 2.260 10 0 FEAEHN CN1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1)CC2 ZINC000245454092 548925291 /nfs/dbraw/zinc/92/52/91/548925291.db2.gz RRZIWICNQIHOPF-AJYBTWMASA-N 0 3 355.482 2.291 10 0 FEAEHN COc1ccc([C@@H]2CCCN2C(=O)CN2CCN3CCC[C@H]3C2)c(OC)c1 ZINC000245939456 549025103 /nfs/dbraw/zinc/02/51/03/549025103.db2.gz UIYDRDADTIUEGV-LPHOPBHVSA-N 0 3 373.497 2.147 10 0 FEAEHN C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCO[C@@H](CN(C)C)C1 ZINC000245949037 549026549 /nfs/dbraw/zinc/02/65/49/549026549.db2.gz YCSAMDCMVIZXSA-OWCLPIDISA-N 0 3 351.516 2.063 10 0 FEAEHN Cc1nc(C[C@@H]2CCCN(C(=O)NC[C@@H](C)N3CCC[C@@H](C)C3)C2)no1 ZINC000246129796 549058837 /nfs/dbraw/zinc/05/88/37/549058837.db2.gz MEZZMJMIRUYCPT-INMHGKMJSA-N 0 3 363.506 2.463 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](N[C@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000246154181 549064943 /nfs/dbraw/zinc/06/49/43/549064943.db2.gz CNFHNBNPEXFDOH-KMUNFCNLSA-N 0 3 372.282 2.433 10 0 FEAEHN COc1cc(Cl)c(C)cc1NC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000246309440 549102484 /nfs/dbraw/zinc/10/24/84/549102484.db2.gz DTRMDNLMCPUYLK-IUODEOHRSA-N 0 3 367.877 2.440 10 0 FEAEHN CC(C)n1ccnc1CS(=O)(=O)C(C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000246390652 549122898 /nfs/dbraw/zinc/12/28/98/549122898.db2.gz VODNHCSVHAOXOU-ZNMIVQPWSA-N 0 3 355.504 2.272 10 0 FEAEHN C[C@H](C(=O)N1C[C@@H]2CCCN2C[C@H]1C)N1CCN(c2ccc(F)cc2)CC1 ZINC000246804735 549216419 /nfs/dbraw/zinc/21/64/19/549216419.db2.gz ZCBPCIULDNUTTR-HLIPFELVSA-N 0 3 374.504 2.031 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000246880277 549234066 /nfs/dbraw/zinc/23/40/66/549234066.db2.gz GPUWQVHSQKMIHL-OCCSQVGLSA-N 0 3 362.861 2.178 10 0 FEAEHN C[C@H](O)CN1CCN(Cc2cc3c(cc2Br)OCO3)C[C@H]1C ZINC000246926263 549244131 /nfs/dbraw/zinc/24/41/31/549244131.db2.gz APHGMPLSMBYGIU-NEPJUHHUSA-N 0 3 371.275 2.065 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000247020895 549266142 /nfs/dbraw/zinc/26/61/42/549266142.db2.gz PDRSZWNOLNWXSG-KBPBESRZSA-N 0 3 369.462 2.031 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@H](c1ccccc1)N1CCSCC1 ZINC000247058422 549274756 /nfs/dbraw/zinc/27/47/56/549274756.db2.gz HEZTWZVHDDQXEU-NZSAHSFTSA-N 0 3 359.539 2.472 10 0 FEAEHN O=C(NCc1nc(CN2CCN3CCC[C@H]3C2)cs1)c1ccccc1 ZINC000247216506 549300108 /nfs/dbraw/zinc/30/01/08/549300108.db2.gz QXYDVSOTCQIRJN-KRWDZBQOSA-N 0 3 356.495 2.353 10 0 FEAEHN CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000247371425 549325150 /nfs/dbraw/zinc/32/51/50/549325150.db2.gz FERAKJPBGVMOOR-CVEARBPZSA-N 0 3 366.506 2.123 10 0 FEAEHN C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248183149 549414331 /nfs/dbraw/zinc/41/43/31/549414331.db2.gz WTVPNFQIAXIKGZ-XQBPLPMBSA-N 0 3 371.525 2.351 10 0 FEAEHN O[C@H](COc1ccccc1C(F)(F)F)CN1CCC[C@@H](n2cncn2)C1 ZINC000248373297 549424042 /nfs/dbraw/zinc/42/40/42/549424042.db2.gz HURRHSYYGKZBQU-KGLIPLIRSA-N 0 3 370.375 2.374 10 0 FEAEHN CC(C)c1nnc2n1C[C@@H](NC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1)CC2 ZINC000248412653 549431717 /nfs/dbraw/zinc/43/17/17/549431717.db2.gz JYKFDQVBYUYFOQ-OAGGEKHMSA-N 0 3 362.522 2.136 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000248631512 549471430 /nfs/dbraw/zinc/47/14/30/549471430.db2.gz ZZPMLAPHQHQGNX-HIFRSBDPSA-N 0 3 357.483 2.459 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000248656294 549478605 /nfs/dbraw/zinc/47/86/05/549478605.db2.gz DMBRDHLZQQQMJE-PMACEKPBSA-N 0 3 374.529 2.061 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000248677292 549483380 /nfs/dbraw/zinc/48/33/80/549483380.db2.gz KMFBYRLCAVKNRY-OLZOCXBDSA-N 0 3 362.499 2.046 10 0 FEAEHN CC[C@H](NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)C(=O)OC ZINC000248831532 549509477 /nfs/dbraw/zinc/50/94/77/549509477.db2.gz FIPOJCLJLGFMPV-KFWWJZLASA-N 0 3 372.387 2.365 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc2nc(C)oc2c1 ZINC000249132423 549558586 /nfs/dbraw/zinc/55/85/86/549558586.db2.gz DGCSKISPWGYUDG-CABCVRRESA-N 0 3 356.426 2.160 10 0 FEAEHN CN(C[C@H](O)Cn1cccn1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249761461 549625654 /nfs/dbraw/zinc/62/56/54/549625654.db2.gz XSWBCSGTMBQXRB-IUIKQTSFSA-N 0 3 356.253 2.141 10 0 FEAEHN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCN4CCC[C@H]4C3)C2)cc1 ZINC000249831344 549632829 /nfs/dbraw/zinc/63/28/29/549632829.db2.gz OUBMCMDPGVCWGT-MOPGFXCFSA-N 0 3 355.482 2.154 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000249889927 549633699 /nfs/dbraw/zinc/63/36/99/549633699.db2.gz SKHCXAVAHPVSBR-SOLBZPMBSA-N 0 3 362.518 2.401 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000249889933 549633718 /nfs/dbraw/zinc/63/37/18/549633718.db2.gz SKHCXAVAHPVSBR-XYJFISCASA-N 0 3 362.518 2.401 10 0 FEAEHN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)[C@H](N)C3CCOCC3)cc2)n1 ZINC000261713923 549746843 /nfs/dbraw/zinc/74/68/43/549746843.db2.gz IXGGNXOOOYFWIS-DNVCBOLYSA-N 0 3 356.470 2.420 10 0 FEAEHN C[C@@H](c1ccccc1Cl)N1CCN(C(=O)[C@@H](N)C2CCOCC2)CC1 ZINC000262048169 549783636 /nfs/dbraw/zinc/78/36/36/549783636.db2.gz QTJQQROTZYRGAV-KSSFIOAISA-N 0 3 365.905 2.299 10 0 FEAEHN COC[C@@H](N)C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000262284581 549806442 /nfs/dbraw/zinc/80/64/42/549806442.db2.gz MERADKUDPURUIU-MRXNPFEDSA-N 0 3 374.312 2.392 10 0 FEAEHN CN1CCNC[C@H]1c1noc(-c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)n1 ZINC000263179875 549884127 /nfs/dbraw/zinc/88/41/27/549884127.db2.gz GQAXTDIVBVGILZ-INIZCTEOSA-N 0 3 368.441 2.071 10 0 FEAEHN COc1cccc(/C=C/c2nc([C@H]3CNCCN3C)no2)c1OC(F)F ZINC000263187060 549884478 /nfs/dbraw/zinc/88/44/78/549884478.db2.gz HMNPVZYKHKTMOY-NNNHXZLVSA-N 0 3 366.368 2.426 10 0 FEAEHN CCOC(=O)c1cnc2ccc(F)cc2c1N1CCO[C@@H](CN(C)C)C1 ZINC000301669793 553670844 /nfs/dbraw/zinc/67/08/44/553670844.db2.gz NHUJZLIZQFHZPT-AWEZNQCLSA-N 0 3 361.417 2.317 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000150711376 672152002 /nfs/dbraw/zinc/15/20/02/672152002.db2.gz NOGJVMVJYYXDQR-XHDPSFHLSA-N 0 3 373.906 2.436 10 0 FEAEHN COc1ccc(-n2ccn(CN3CCO[C@H](CN(C)C)C3)c2=S)cc1 ZINC000153007573 672192061 /nfs/dbraw/zinc/19/20/61/672192061.db2.gz RBMDXOPDLMMXMF-QGZVFWFLSA-N 0 3 362.499 2.237 10 0 FEAEHN CC[C@@H](O)CN1CCN(C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000174071130 672357650 /nfs/dbraw/zinc/35/76/50/672357650.db2.gz LHRPRKPJRWCCEL-IAGOWNOFSA-N 0 3 355.523 2.022 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cnc2sccn2c1=O ZINC000182077190 672437729 /nfs/dbraw/zinc/43/77/29/672437729.db2.gz CPXSERGBJBVALE-ZDUSSCGKSA-N 0 3 356.451 2.006 10 0 FEAEHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000182637838 672449136 /nfs/dbraw/zinc/44/91/36/672449136.db2.gz LYNCIYBFNFZXOZ-NSHDSACASA-N 0 3 369.409 2.031 10 0 FEAEHN COCCN1CCN(C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000246043903 672828812 /nfs/dbraw/zinc/82/88/12/672828812.db2.gz SMZIMRYEPXFWEL-IAGOWNOFSA-N 0 3 355.523 2.286 10 0 FEAEHN CCOCCN1CCN(C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000246494503 672837766 /nfs/dbraw/zinc/83/77/66/672837766.db2.gz APWFVRQREPZZLK-SJORKVTESA-N 0 3 355.523 2.286 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)C2=Cc3ccccc3OCC2)C1 ZINC000248471679 672857259 /nfs/dbraw/zinc/85/72/59/672857259.db2.gz IZEKZIXNFPLEFI-WMLDXEAASA-N 0 3 350.484 2.458 10 0 FEAEHN Cc1ccc(C(=O)NCC(=O)N[C@@H](CN(C)C)c2ccccc2)cc1C ZINC000007817172 539468276 /nfs/dbraw/zinc/46/82/76/539468276.db2.gz LUSVJQFBNMWMQE-IBGZPJMESA-N 0 3 353.466 2.452 10 0 FEAEHN Cc1cccc(CN2CCCC[C@H]2CCn2cc(C(=O)NC3CC3)nn2)n1 ZINC000012100147 539542878 /nfs/dbraw/zinc/54/28/78/539542878.db2.gz BUDGKGPVEKVYOB-SFHVURJKSA-N 0 3 368.485 2.319 10 0 FEAEHN C[C@H](NC[C@H](O)COc1ccccc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000025695200 539766760 /nfs/dbraw/zinc/76/67/60/539766760.db2.gz CGBXFKPUZGBRFT-ZFWWWQNUSA-N 0 3 367.442 2.320 10 0 FEAEHN O=C(c1ccn(COc2ccccc2Cl)n1)N1CCN2CCC[C@H]2C1 ZINC000028234019 539828525 /nfs/dbraw/zinc/82/85/25/539828525.db2.gz XEMWPNRHXLODQN-AWEZNQCLSA-N 0 3 360.845 2.493 10 0 FEAEHN CC(C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)Cc1nc(C2CC2)no1 ZINC000046137280 540243873 /nfs/dbraw/zinc/24/38/73/540243873.db2.gz TXADHWQPTSUILC-NWDGAFQWSA-N 0 3 363.439 2.128 10 0 FEAEHN O=C(c1ccc(F)cc1I)N1CCN2CCC[C@@H]2C1 ZINC000049516030 540390250 /nfs/dbraw/zinc/39/02/50/540390250.db2.gz XGDFPLAINJJPHX-LLVKDONJSA-N 0 3 374.197 2.351 10 0 FEAEHN CN(C)CCN1C[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)CCC1=O ZINC000012594890 220010560 /nfs/dbraw/zinc/01/05/60/220010560.db2.gz QXHCKDVJPMMUAG-CQSZACIVSA-N 0 3 371.403 2.122 10 0 FEAEHN COc1ccc(C(=O)Nc2ccnn2C2CCN(C[C@@H](C)O)CC2)cc1 ZINC000067460278 221255460 /nfs/dbraw/zinc/25/54/60/221255460.db2.gz KFWWXQQUBJUIMO-CQSZACIVSA-N 0 3 358.442 2.162 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)COc1cccc(N2CCCC2=O)c1 ZINC000097359380 543010135 /nfs/dbraw/zinc/01/01/35/543010135.db2.gz RVEGTHLLVQWQOQ-MRXNPFEDSA-N 0 3 361.486 2.285 10 0 FEAEHN Cc1cnn([C@@H]2CCCN(CCC(=O)Nc3sccc3C(N)=O)C2)c1 ZINC000106222336 543220201 /nfs/dbraw/zinc/22/02/01/543220201.db2.gz SUGVGIQSRNKCCB-CYBMUJFWSA-N 0 3 361.471 2.018 10 0 FEAEHN CN(C)[C@@H](Cc1ccccc1)C(=O)NCCN1CCc2ccccc2C1 ZINC000106904595 543254515 /nfs/dbraw/zinc/25/45/15/543254515.db2.gz RLXQUKSXSDMTOF-NRFANRHFSA-N 0 3 351.494 2.334 10 0 FEAEHN CC(C)n1ccnc1CS(=O)(=O)C(C)C(=O)NCCc1cccs1 ZINC000107075577 543260989 /nfs/dbraw/zinc/26/09/89/543260989.db2.gz CIHGYDBLIXTNPB-CYBMUJFWSA-N 0 3 369.512 2.188 10 0 FEAEHN CCN1CCC[C@H](NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)C1 ZINC000107250384 543263801 /nfs/dbraw/zinc/26/38/01/543263801.db2.gz RLOZODMMMXZFRL-INIZCTEOSA-N 0 3 359.470 2.331 10 0 FEAEHN CN(C[C@@H]1CCN(C)C1)C(=O)c1csc(I)c1 ZINC000107594905 543273528 /nfs/dbraw/zinc/27/35/28/543273528.db2.gz STFPSBKALNALMB-SECBINFHSA-N 0 3 364.252 2.376 10 0 FEAEHN Cc1cccc(NC(=O)CSCC(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1 ZINC000113445065 543488772 /nfs/dbraw/zinc/48/87/72/543488772.db2.gz JNRKCEMNUGBSGD-DOTOQJQBSA-N 0 3 361.511 2.362 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)C1 ZINC000115807053 543587454 /nfs/dbraw/zinc/58/74/54/543587454.db2.gz RBMMXZACLGFXOV-CJNGLKHVSA-N 0 3 354.445 2.351 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000247479156 549341281 /nfs/dbraw/zinc/34/12/81/549341281.db2.gz SLKHEAIHYAIPDZ-NEPJUHHUSA-N 0 3 364.389 2.442 10 0 FEAEHN COCCC1(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)CCCC1 ZINC000123392756 543758768 /nfs/dbraw/zinc/75/87/68/543758768.db2.gz QOCQZZCKCUICCM-UHFFFAOYSA-N 0 3 374.529 2.389 10 0 FEAEHN C[C@H]1CN(S(=O)(=O)c2ccc(Br)s2)C[C@@H]1N(C)C ZINC000124028594 543797465 /nfs/dbraw/zinc/79/74/65/543797465.db2.gz WXNFIJPHYBWUAO-IUCAKERBSA-N 0 3 353.307 2.081 10 0 FEAEHN C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CN1C1CC1 ZINC000124224645 543808056 /nfs/dbraw/zinc/80/80/56/543808056.db2.gz LNSQJMDIYRJULR-AHAHFWPDSA-N 0 3 359.445 2.087 10 0 FEAEHN COc1ccc(-c2noc(CN3CCN4CCCC[C@@H]4C3)n2)c(OC)c1 ZINC000125293074 543873087 /nfs/dbraw/zinc/87/30/87/543873087.db2.gz UCQHMRAEOPSPJU-CQSZACIVSA-N 0 3 358.442 2.424 10 0 FEAEHN CCn1ncc2ccc(NC(=O)C(=O)NC[C@H]3CCCN3CC(C)C)cc21 ZINC000129326773 544105384 /nfs/dbraw/zinc/10/53/84/544105384.db2.gz ZDSDFOJUIHZZNM-QGZVFWFLSA-N 0 3 371.485 2.231 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000131619495 544198286 /nfs/dbraw/zinc/19/82/86/544198286.db2.gz GHNSYZOPJLCNNK-QGZVFWFLSA-N 0 3 362.499 2.106 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000133250095 544261813 /nfs/dbraw/zinc/26/18/13/544261813.db2.gz WUEZYZIKIBFAFZ-SJORKVTESA-N 0 3 360.502 2.400 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2cccc(COCC3CC3)c2)[C@@H](C)C1 ZINC000150794173 544473042 /nfs/dbraw/zinc/47/30/42/544473042.db2.gz WDRRJBWAJWAPPR-KXBFYZLASA-N 0 3 373.497 2.397 10 0 FEAEHN CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000150798823 544474023 /nfs/dbraw/zinc/47/40/23/544474023.db2.gz DWCRLCVRNAQDHC-CJNGLKHVSA-N 0 3 365.449 2.396 10 0 FEAEHN C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)c2ccccc21 ZINC000151605859 544560905 /nfs/dbraw/zinc/56/09/05/544560905.db2.gz UCVZSJPYADFHEW-RHSMWYFYSA-N 0 3 369.469 2.138 10 0 FEAEHN C[C@@H](NC[C@H](O)COCc1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000153766564 544820768 /nfs/dbraw/zinc/82/07/68/544820768.db2.gz VJWWMBPBMGEKPC-HIFRSBDPSA-N 0 3 369.508 2.380 10 0 FEAEHN C[C@H](O)CN1CCN(Cc2cccc(C(=O)NCc3ccco3)c2)C[C@H]1C ZINC000247534738 549351494 /nfs/dbraw/zinc/35/14/94/549351494.db2.gz CJBBGLUIUVXMOX-SJORKVTESA-N 0 3 371.481 2.097 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000247532927 549351501 /nfs/dbraw/zinc/35/15/01/549351501.db2.gz XRMPDLMEEFKRMX-ILXRZTDVSA-N 0 3 361.873 2.388 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC[C@H](c1ccccc1)N(C)C)CC2 ZINC000155100944 544989714 /nfs/dbraw/zinc/98/97/14/544989714.db2.gz OPUXTFBUZPLZCH-DLBZAZTESA-N 0 3 370.501 2.318 10 0 FEAEHN CCOCCN1CCN(C[C@H](O)COc2cc(C)cc(C)c2)C[C@@H]1CC ZINC000155100092 544990180 /nfs/dbraw/zinc/99/01/80/544990180.db2.gz AEWVYXRFVUVRIV-PMACEKPBSA-N 0 3 364.530 2.476 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@H](C)c1ccc(-n3cnnn3)cc1)CC2 ZINC000180638361 327694814 /nfs/dbraw/zinc/69/48/14/327694814.db2.gz WUAYGENEECKUTE-UKRRQHHQSA-N 0 3 352.446 2.043 10 0 FEAEHN Cc1cnn(-c2ccc(NC(=O)N3CCO[C@@H](CN(C)C)C3)cc2F)c1 ZINC000181213513 327720648 /nfs/dbraw/zinc/72/06/48/327720648.db2.gz YNGZTTZEKSKJDG-HNNXBMFYSA-N 0 3 361.421 2.114 10 0 FEAEHN C[C@@H](NCC(=O)Nc1ccccc1I)[C@@H]1CCCO1 ZINC000183139427 327803615 /nfs/dbraw/zinc/80/36/15/327803615.db2.gz PIGWPUIZUWUXOG-MFKMUULPSA-N 0 3 374.222 2.387 10 0 FEAEHN O=C(NCC1CCN(C[C@H](O)c2ccccc2)CC1)c1ccc(F)cn1 ZINC000183393265 327815108 /nfs/dbraw/zinc/81/51/08/327815108.db2.gz ROURKMMPOCMAMX-IBGZPJMESA-N 0 3 357.429 2.396 10 0 FEAEHN Cc1ccccc1-c1cc(NC(=O)NC[C@H](O)CN2CCCCC2)n(C)n1 ZINC000184557723 327873045 /nfs/dbraw/zinc/87/30/45/327873045.db2.gz SAGIXKFNSVCHMH-INIZCTEOSA-N 0 3 371.485 2.364 10 0 FEAEHN CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)CN2CCCCC2)C12CCOCC2 ZINC000185810318 327933874 /nfs/dbraw/zinc/93/38/74/327933874.db2.gz CVCYQFGGTSUUKJ-GVDBMIGSSA-N 0 3 353.507 2.134 10 0 FEAEHN CCc1c(C(=O)NC[C@@H](O)CN2CCCCC2)cnn1-c1ccccc1C ZINC000186184586 327950492 /nfs/dbraw/zinc/95/04/92/327950492.db2.gz ZADZCMYOOHHJES-QGZVFWFLSA-N 0 3 370.497 2.320 10 0 FEAEHN C[C@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc(-n2ccnc2)c1 ZINC000189917703 328176071 /nfs/dbraw/zinc/17/60/71/328176071.db2.gz GOPZGSLRVQVSDP-YJBOKZPZSA-N 0 3 364.453 2.452 10 0 FEAEHN C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(-n2ccnc2)c1 ZINC000189895268 328174783 /nfs/dbraw/zinc/17/47/83/328174783.db2.gz DTOUQIWCLUCPEY-KSSFIOAISA-N 0 3 350.426 2.062 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000190102437 328188456 /nfs/dbraw/zinc/18/84/56/328188456.db2.gz REMGWOCYSLRKRT-XJKSGUPXSA-N 0 3 370.478 2.444 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)c1ccsc1 ZINC000190200700 328193997 /nfs/dbraw/zinc/19/39/97/328193997.db2.gz AGTPWFOMONGATN-INIZCTEOSA-N 0 3 364.515 2.051 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccnn1-c1nc(C)cc(C)n1 ZINC000190396669 328205345 /nfs/dbraw/zinc/20/53/45/328205345.db2.gz MKIGACCAOWQFPB-OAHLLOKOSA-N 0 3 357.462 2.227 10 0 FEAEHN CCN(C)C(=O)[C@@H](C)NC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000190407510 328205862 /nfs/dbraw/zinc/20/58/62/328205862.db2.gz BJPMHPAVKJYPEE-SJLPKXTDSA-N 0 3 360.502 2.207 10 0 FEAEHN CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(C[C@H](O)C(F)(F)F)CC1 ZINC000190491811 328211150 /nfs/dbraw/zinc/21/11/50/328211150.db2.gz MOSWBVFZGXHFHZ-OLZOCXBDSA-N 0 3 354.413 2.038 10 0 FEAEHN CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)NCC2CCC2)CC1 ZINC000190500145 328212022 /nfs/dbraw/zinc/21/20/22/328212022.db2.gz RIQUFWREHNKQMH-QGZVFWFLSA-N 0 3 367.534 2.031 10 0 FEAEHN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(CC(=O)NC2CCCC2)CC1 ZINC000190506146 328212275 /nfs/dbraw/zinc/21/22/75/328212275.db2.gz PFLJWGYSAYYZBX-KRWDZBQOSA-N 0 3 367.534 2.173 10 0 FEAEHN CCOc1cccnc1C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190593016 328218522 /nfs/dbraw/zinc/21/85/22/328218522.db2.gz FHHNSSXAZPIYLV-QGZVFWFLSA-N 0 3 354.454 2.469 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC000190648772 328221970 /nfs/dbraw/zinc/22/19/70/328221970.db2.gz LSHSXESEFBTTJU-PXNSSMCTSA-N 0 3 351.450 2.366 10 0 FEAEHN COc1ccccc1OCC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190660481 328222951 /nfs/dbraw/zinc/22/29/51/328222951.db2.gz RZLQXKQPEUNPPJ-GOSISDBHSA-N 0 3 369.465 2.450 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000192059462 328297576 /nfs/dbraw/zinc/29/75/76/328297576.db2.gz BAGCJXGKZLNHCO-GDBMZVCRSA-N 0 3 361.490 2.029 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2F)CCO1 ZINC000192121970 328300830 /nfs/dbraw/zinc/30/08/30/328300830.db2.gz BRXKXULYPLDANQ-SECBINFHSA-N 0 3 363.202 2.130 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)CCC(=O)OC(C)(C)C)C1 ZINC000192523239 328323525 /nfs/dbraw/zinc/32/35/25/328323525.db2.gz OIITWLYFFZNZLB-QGZVFWFLSA-N 0 3 361.486 2.484 10 0 FEAEHN CCC[C@@H]1CCc2nc(NC(=O)C(=O)N3CC[C@@H](N(C)C)C3)sc2C1 ZINC000192877452 328344447 /nfs/dbraw/zinc/34/44/47/328344447.db2.gz IVBBLZSGSLUUCH-CHWSQXEVSA-N 0 3 364.515 2.149 10 0 FEAEHN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)C1 ZINC000193635466 328386838 /nfs/dbraw/zinc/38/68/38/328386838.db2.gz MZJRZUNYASACSB-TXPKVOOTSA-N 0 3 353.507 2.336 10 0 FEAEHN Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)sc1Br ZINC000228129945 328485027 /nfs/dbraw/zinc/48/50/27/328485027.db2.gz JNKXDVXYCIGCFG-ZJUUUORDSA-N 0 3 367.334 2.390 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000079013662 325072227 /nfs/dbraw/zinc/07/22/27/325072227.db2.gz PYWHIGCKAWCWQI-GDBMZVCRSA-N 0 3 369.531 2.427 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000081292967 325168604 /nfs/dbraw/zinc/16/86/04/325168604.db2.gz MZIVUFCLEHKAAS-LJQANCHMSA-N 0 3 360.546 2.291 10 0 FEAEHN Cc1nc2n(n1)CCC[C@H]2NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000083750058 325225144 /nfs/dbraw/zinc/22/51/44/325225144.db2.gz JGXMINNYOXSLFD-QGZVFWFLSA-N 0 3 374.464 2.334 10 0 FEAEHN Cc1cccc2nc(CN3CCC(Cc4nccn4C)CC3)cc(=O)n12 ZINC000106166575 325587729 /nfs/dbraw/zinc/58/77/29/325587729.db2.gz KQEZMWQBQSKREI-UHFFFAOYSA-N 0 3 351.454 2.191 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@@H]1CCN(c3ccccc3F)C1=O)CC2 ZINC000112345548 325774389 /nfs/dbraw/zinc/77/43/89/325774389.db2.gz UQKMJDKXNKBOLP-UKRRQHHQSA-N 0 3 357.433 2.251 10 0 FEAEHN CO[C@@H](C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1)c1ccccc1 ZINC000114413784 325890275 /nfs/dbraw/zinc/89/02/75/325890275.db2.gz VQQOQCOLQRQWNW-HXUWFJFHSA-N 0 3 368.481 2.180 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)NCc3cccc(F)c3)CC2)nc1 ZINC000114585928 325905495 /nfs/dbraw/zinc/90/54/95/325905495.db2.gz YMLRESPJAQKQJN-UHFFFAOYSA-N 0 3 371.460 2.314 10 0 FEAEHN C[C@@H](N[C@H]1CCc2ncnn2C1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000114752617 325920602 /nfs/dbraw/zinc/92/06/02/325920602.db2.gz VONZCGXODHBLMY-NEPJUHHUSA-N 0 3 365.840 2.022 10 0 FEAEHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCn1cc(C)cn1 ZINC000118078000 326079145 /nfs/dbraw/zinc/07/91/45/326079145.db2.gz HKSGPGLGVCTRMR-LJQANCHMSA-N 0 3 370.501 2.283 10 0 FEAEHN CCOCCC1(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)CCC1 ZINC000119885019 326208837 /nfs/dbraw/zinc/20/88/37/326208837.db2.gz DPBYGPIKTJBCFG-IBGZPJMESA-N 0 3 360.498 2.119 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)[C@@H](C)C1 ZINC000120378782 326253773 /nfs/dbraw/zinc/25/37/73/326253773.db2.gz KHCOHKNEDZSFHY-YJBOKZPZSA-N 0 3 374.485 2.009 10 0 FEAEHN CC[C@@H]1CN(Cc2ccc(OC)c(OC)c2OC)CCN1CCOC ZINC000120926369 326299914 /nfs/dbraw/zinc/29/99/14/326299914.db2.gz FKHZZENSAKFDOF-MRXNPFEDSA-N 0 3 352.475 2.255 10 0 FEAEHN CC[C@H]1CN(Cc2cc(OC)c(OC)c(OC)c2)CCN1CCOC ZINC000120961161 326302459 /nfs/dbraw/zinc/30/24/59/326302459.db2.gz OTHFEBXBOXLMBH-INIZCTEOSA-N 0 3 352.475 2.255 10 0 FEAEHN CCCCNC(=O)[C@H]1CCCN(C(=O)N[C@H](CC(C)C)CN(C)C)C1 ZINC000127297219 326503940 /nfs/dbraw/zinc/50/39/40/326503940.db2.gz QEXVETAXLGMJOO-DLBZAZTESA-N 0 3 354.539 2.301 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cccc(OCCF)c1 ZINC000127808083 326512937 /nfs/dbraw/zinc/51/29/37/326512937.db2.gz ZVUQCTIBQWNRQT-HNNXBMFYSA-N 0 3 353.438 2.066 10 0 FEAEHN CCOC(=O)CNC(=O)C1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000134529939 326627132 /nfs/dbraw/zinc/62/71/32/326627132.db2.gz YTKZULQHKNUVFE-UHFFFAOYSA-N 0 3 355.438 2.126 10 0 FEAEHN CNc1c(Cl)ncnc1N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000136038697 326649309 /nfs/dbraw/zinc/64/93/09/326649309.db2.gz WRUKDJBMOSYQQQ-CHWSQXEVSA-N 0 3 353.898 2.497 10 0 FEAEHN CC(=O)[C@@H]1C[C@H](C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)C1(C)C ZINC000153487987 326734136 /nfs/dbraw/zinc/73/41/36/326734136.db2.gz PTHYJVTXLMPXSC-ZWKOTPCHSA-N 0 3 372.513 2.043 10 0 FEAEHN COc1cccc(Cn2nccc2NC(=O)N2CC[C@@H](N(C)C)C2)c1OC ZINC000158697660 326904101 /nfs/dbraw/zinc/90/41/01/326904101.db2.gz CRXBIALATAIHQR-OAHLLOKOSA-N 0 3 373.457 2.116 10 0 FEAEHN Cc1nc(-c2cccc(NC(=O)C(=O)N3CC[C@@H](N(C)C)C3)c2)cs1 ZINC000170844559 327102118 /nfs/dbraw/zinc/10/21/18/327102118.db2.gz OFDSIJDBWAHXAR-OAHLLOKOSA-N 0 3 358.467 2.220 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000170844312 327102246 /nfs/dbraw/zinc/10/22/46/327102246.db2.gz WOURYWYUXAWNOR-HNNXBMFYSA-N 0 3 372.400 2.114 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)C1 ZINC000171075904 327116086 /nfs/dbraw/zinc/11/60/86/327116086.db2.gz YGZCPOXEVQMZNA-ZDUSSCGKSA-N 0 3 358.364 2.147 10 0 FEAEHN O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)N1CCN2CCC[C@H]2C1 ZINC000171278825 327129314 /nfs/dbraw/zinc/12/93/14/327129314.db2.gz DYLWKJLDGHJXGP-HNNXBMFYSA-N 0 3 371.462 2.388 10 0 FEAEHN Cc1nc(C[C@@H]2CCCN(C(=O)NCCN(C)Cc3ccccc3)C2)no1 ZINC000171352924 327134342 /nfs/dbraw/zinc/13/43/42/327134342.db2.gz PTMZRCDRTFRPLD-SFHVURJKSA-N 0 3 371.485 2.474 10 0 FEAEHN Cc1nc(C[C@@H]2CCCN(C[C@H](O)COCc3ccccc3F)C2)no1 ZINC000171503694 327143154 /nfs/dbraw/zinc/14/31/54/327143154.db2.gz LHXWDIZLNFXIRN-RDJZCZTQSA-N 0 3 363.433 2.349 10 0 FEAEHN Cc1cccc(NC[C@@H]2CCN(CC(=O)NC(=O)Nc3ccccc3)C2)n1 ZINC000171651141 327151505 /nfs/dbraw/zinc/15/15/05/327151505.db2.gz WGNZUVAEYBUDDO-INIZCTEOSA-N 0 3 367.453 2.472 10 0 FEAEHN Cc1cccc(NC[C@H]2CCN(CCNS(=O)(=O)c3ccccc3)C2)n1 ZINC000171648791 327151540 /nfs/dbraw/zinc/15/15/40/327151540.db2.gz RVGCOIGZUNRGLS-QGZVFWFLSA-N 0 3 374.510 2.102 10 0 FEAEHN O=C(NCC(F)(F)F)c1ccc(NC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000171888769 327167839 /nfs/dbraw/zinc/16/78/39/327167839.db2.gz OYYDNEMOYYCEBO-AWEZNQCLSA-N 0 3 370.375 2.291 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)NCc3cccs3)CC2)nc1 ZINC000172063702 327178596 /nfs/dbraw/zinc/17/85/96/327178596.db2.gz CNSKMPRPTDHZCW-UHFFFAOYSA-N 0 3 359.499 2.237 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NCCOc2cccc3ccccc32)CCO1 ZINC000172125620 327182285 /nfs/dbraw/zinc/18/22/85/327182285.db2.gz RZSKDPZBFSYPGE-QGZVFWFLSA-N 0 3 357.454 2.191 10 0 FEAEHN CCn1cc(CN2CCCN(C(=O)[C@@H](C)N3CCCCCC3)CC2)cn1 ZINC000173156166 327238039 /nfs/dbraw/zinc/23/80/39/327238039.db2.gz BXBWCCILKYCPRX-GOSISDBHSA-N 0 3 361.534 2.202 10 0 FEAEHN CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C(C)C)N2CCCCC2)ncn1 ZINC000173436704 327256960 /nfs/dbraw/zinc/25/69/60/327256960.db2.gz SRJKBGBOONKAPJ-APWZRJJASA-N 0 3 374.533 2.114 10 0 FEAEHN C[C@@H](CNC(=O)NC[C@@H](O)CN1CCCCC1)c1ccc(F)cc1F ZINC000173507751 327262392 /nfs/dbraw/zinc/26/23/92/327262392.db2.gz TYFSPKHNFPPRNB-DZGCQCFKSA-N 0 3 355.429 2.214 10 0 FEAEHN CCN(CC)[C@H](C(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1)c1ccccc1 ZINC000173514570 327262845 /nfs/dbraw/zinc/26/28/45/327262845.db2.gz CWFCIZLENPWBDK-IRXDYDNUSA-N 0 3 357.458 2.096 10 0 FEAEHN CCN(CC)[C@H](C(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1)c1ccccc1 ZINC000173514570 327262847 /nfs/dbraw/zinc/26/28/47/327262847.db2.gz CWFCIZLENPWBDK-IRXDYDNUSA-N 0 3 357.458 2.096 10 0 FEAEHN CC[NH+](CC)[C@H](C(=O)N1CCO[C@H](c2nnc(C)[n-]2)C1)c1ccccc1 ZINC000173514570 327262848 /nfs/dbraw/zinc/26/28/48/327262848.db2.gz CWFCIZLENPWBDK-IRXDYDNUSA-N 0 3 357.458 2.096 10 0 FEAEHN Cc1nnc([C@H]2CN(C(=O)c3oc4ccccc4c3CN(C)C)CCO2)[nH]1 ZINC000173755528 327281679 /nfs/dbraw/zinc/28/16/79/327281679.db2.gz LKBWFYCYNNEKRN-MRXNPFEDSA-N 0 3 369.425 2.135 10 0 FEAEHN Cc1nc([C@H]2CN(C(=O)c3oc4ccccc4c3CN(C)C)CCO2)n[nH]1 ZINC000173755528 327281680 /nfs/dbraw/zinc/28/16/80/327281680.db2.gz LKBWFYCYNNEKRN-MRXNPFEDSA-N 0 3 369.425 2.135 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000173767572 327282758 /nfs/dbraw/zinc/28/27/58/327282758.db2.gz TYNBYCFVMWMOAU-UXHICEINSA-N 0 3 374.529 2.186 10 0 FEAEHN O=C(NC[C@@H](O)CN1CCCCC1)Nc1ccc(F)cc1OC(F)F ZINC000174045578 327303469 /nfs/dbraw/zinc/30/34/69/327303469.db2.gz ZGPAUTCFNFIVPZ-GFCCVEGCSA-N 0 3 361.364 2.395 10 0 FEAEHN CNc1cc(N2CCC[C@@H]2CN[C@H](C)C(=O)NC2CCC(C)CC2)ncn1 ZINC000174285079 327317157 /nfs/dbraw/zinc/31/71/57/327317157.db2.gz DXGAOPXSHJOXGV-MNAZLIDISA-N 0 3 374.533 2.160 10 0 FEAEHN COc1ncc(C)cc1NC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000174975712 327365142 /nfs/dbraw/zinc/36/51/42/327365142.db2.gz UDVVPRDIWSUXGL-UHFFFAOYSA-N 0 3 372.473 2.223 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)c1cnn(-c2ccccc2)c1 ZINC000174989521 327365865 /nfs/dbraw/zinc/36/58/65/327365865.db2.gz GLRRALOHBVISON-SJLPKXTDSA-N 0 3 352.438 2.140 10 0 FEAEHN C[C@H](CN[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)N1CCOCC1 ZINC000248768757 328739956 /nfs/dbraw/zinc/73/99/56/328739956.db2.gz XMXVLZRIZSZHKW-ATZDWAIDSA-N 0 3 367.921 2.022 10 0 FEAEHN C[C@@H]1NCCC[C@H]1NS(=O)(=O)c1ccccc1C(=O)c1ccccc1 ZINC000262194001 328850017 /nfs/dbraw/zinc/85/00/17/328850017.db2.gz CMNUQRXSHGJVDY-WMLDXEAASA-N 0 3 358.463 2.336 10 0 FEAEHN CCc1c(-c2nc([C@@H]3CNCCN3C)no2)nnn1-c1cccc(Cl)c1 ZINC000263201406 328924754 /nfs/dbraw/zinc/92/47/54/328924754.db2.gz JBZSNMUPCGYCLH-AWEZNQCLSA-N 0 3 373.848 2.109 10 0 FEAEHN Cc1cc(C)n(-c2ccc(-c3nc([C@@H]4CNCCN4C)no3)cc2F)n1 ZINC000263266377 328929342 /nfs/dbraw/zinc/92/93/42/328929342.db2.gz RPEDDZGZCGCFBK-INIZCTEOSA-N 0 3 356.405 2.254 10 0 FEAEHN Cc1noc(C)c1COc1ccccc1-c1nc([C@H]2CNCCN2C)no1 ZINC000263310840 328932087 /nfs/dbraw/zinc/93/20/87/328932087.db2.gz YQHYFUGTVCFOMA-MRXNPFEDSA-N 0 3 369.425 2.497 10 0 FEAEHN CCCCc1cc(=O)[n-]c(-c2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)n1 ZINC000020857184 521260711 /nfs/dbraw/zinc/26/07/11/521260711.db2.gz KYAXGSXIQBJPRO-UHFFFAOYSA-N 0 3 368.481 2.477 10 0 FEAEHN CCOCCN1CCN(CCC(=O)N2CCc3sccc3C2)C[C@H]1C ZINC000247552566 549355440 /nfs/dbraw/zinc/35/54/40/549355440.db2.gz FDCANFFFJCOKNB-MRXNPFEDSA-N 0 3 365.543 2.066 10 0 FEAEHN C[C@@H]1CN(c2ccc(C(=O)N3C[C@@H]4CCCN4C[C@H]3C)cn2)C[C@H](C)O1 ZINC000247557595 549356851 /nfs/dbraw/zinc/35/68/51/549356851.db2.gz ZTKUMZVGOUYZSY-CBZIJGRNSA-N 0 3 358.486 2.004 10 0 FEAEHN C[C@H](NC(=O)N1CCO[C@H](CN(C)C)C1)c1cccc(N2CCCC2)c1 ZINC000155298078 545508030 /nfs/dbraw/zinc/50/80/30/545508030.db2.gz ISJKIIUBQDWVNU-QFBILLFUSA-N 0 3 360.502 2.320 10 0 FEAEHN CN(C)C[C@H]1CN(CC(=O)Nc2ccc(SC(F)F)cc2)CCO1 ZINC000155323020 545511031 /nfs/dbraw/zinc/51/10/31/545511031.db2.gz WLYQPBAZQZSJDP-ZDUSSCGKSA-N 0 3 359.442 2.202 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)[C@@H](C)C1 ZINC000155445822 545527109 /nfs/dbraw/zinc/52/71/09/545527109.db2.gz YWUSLIOPHDJMBR-NHYWBVRUSA-N 0 3 373.906 2.170 10 0 FEAEHN COCCOCc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)ccc1F ZINC000155638522 545551954 /nfs/dbraw/zinc/55/19/54/545551954.db2.gz PUTHMFMPGMLICY-KDOFPFPSSA-N 0 3 352.450 2.447 10 0 FEAEHN Cc1cc(C)n(C[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CCO2)n1 ZINC000156356340 545620871 /nfs/dbraw/zinc/62/08/71/545620871.db2.gz VCEUXYKQNMVWLX-LJQANCHMSA-N 0 3 356.470 2.103 10 0 FEAEHN CN(C(=O)C[C@@H]1CSCCN1)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000170681316 546170235 /nfs/dbraw/zinc/17/02/35/546170235.db2.gz VIJPIRGUFSRUDJ-NVXWUHKLSA-N 0 3 360.458 2.259 10 0 FEAEHN Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000170856527 546179292 /nfs/dbraw/zinc/17/92/92/546179292.db2.gz ILPPMKMJWIEYFX-RTBURBONSA-N 0 3 374.529 2.371 10 0 FEAEHN CCOC(=O)c1cnn(-c2ccc(C(=O)N3CC[C@@H](N(C)C)C3)cc2)c1C ZINC000170866934 546180867 /nfs/dbraw/zinc/18/08/67/546180867.db2.gz FKFSUICKUSDNND-QGZVFWFLSA-N 0 3 370.453 2.134 10 0 FEAEHN CCN1CCC[C@@H]1CNC(=O)N1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000175386003 546309800 /nfs/dbraw/zinc/30/98/00/546309800.db2.gz MDBLRMKZWNLOQE-MRXNPFEDSA-N 0 3 371.485 2.452 10 0 FEAEHN Cc1cnc([C@@H](NC(=O)NC[C@H](O)CN2CCCCC2)C2CC2)s1 ZINC000175880786 546366556 /nfs/dbraw/zinc/36/65/56/546366556.db2.gz HWISAGGMCICAEU-GJZGRUSLSA-N 0 3 352.504 2.049 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc(S(=O)(=O)CC)cc1 ZINC000176284769 546426736 /nfs/dbraw/zinc/42/67/36/546426736.db2.gz ZQQHGIFOGGVEJT-HNNXBMFYSA-N 0 3 353.488 2.428 10 0 FEAEHN C[C@@H](O)CN1CCC(CN(C)C(=O)CCC(=O)c2cccs2)CC1 ZINC000176884208 546499792 /nfs/dbraw/zinc/49/97/92/546499792.db2.gz PBJWLZGHLFJIMR-CQSZACIVSA-N 0 3 352.500 2.262 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc2ccc(C)nc21 ZINC000176893965 546502480 /nfs/dbraw/zinc/50/24/80/546502480.db2.gz WSWQGVYKPXNOEI-MRXNPFEDSA-N 0 3 354.454 2.424 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(F)ccc1OC(C)C ZINC000176902489 546504004 /nfs/dbraw/zinc/50/40/04/546504004.db2.gz GINWMMYXTGNMGK-OAHLLOKOSA-N 0 3 365.449 2.494 10 0 FEAEHN Cc1nc(C[C@@H]2CCCN(CCC(=O)Nc3cc(N)ccc3F)C2)no1 ZINC000177034997 546528127 /nfs/dbraw/zinc/52/81/27/546528127.db2.gz RTBMEPMNDOYLNV-ZDUSSCGKSA-N 0 3 361.421 2.383 10 0 FEAEHN C[C@H]1CN(CCCc2nc(-c3ccccc3)no2)C[C@@H]1N1CCOCC1 ZINC000177237652 546577284 /nfs/dbraw/zinc/57/72/84/546577284.db2.gz ARTXQHOJNBCQDH-WMZOPIPTSA-N 0 3 356.470 2.322 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC1CCN(CC(F)(F)F)CC1 ZINC000177443513 546620155 /nfs/dbraw/zinc/62/01/55/546620155.db2.gz HSNYRTWMTJRGPL-CQSZACIVSA-N 0 3 350.429 2.139 10 0 FEAEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)c1ccc(C=O)[nH]1 ZINC000177459322 546622939 /nfs/dbraw/zinc/62/29/39/546622939.db2.gz WJBDSHGDZLGUDB-FQEVSTJZSA-N 0 3 369.465 2.345 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3cccs3)c2)CCO1 ZINC000177677666 546664898 /nfs/dbraw/zinc/66/48/98/546664898.db2.gz STQNJKLJIBJMIK-MRXNPFEDSA-N 0 3 373.478 2.143 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc2cccnc21 ZINC000178624239 546822422 /nfs/dbraw/zinc/82/24/22/546822422.db2.gz KGMZESZHIPHBKS-MRXNPFEDSA-N 0 3 354.454 2.410 10 0 FEAEHN Brc1ccc(-c2nnc(CN3CCN4CCC[C@@H]4C3)o2)o1 ZINC000178639712 546825866 /nfs/dbraw/zinc/82/58/66/546825866.db2.gz JNAQBEWDVYYQHY-SNVBAGLBSA-N 0 3 353.220 2.372 10 0 FEAEHN C[C@@H]1CN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C[C@@H]1N1CCOCC1 ZINC000179616550 546986112 /nfs/dbraw/zinc/98/61/12/546986112.db2.gz FSOXWNXCUQGJKG-LJHODMEESA-N 0 3 363.889 2.486 10 0 FEAEHN CC[C@@H](CSC)NC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000179952939 547032648 /nfs/dbraw/zinc/03/26/48/547032648.db2.gz VXDRZUJEURPIKA-INIZCTEOSA-N 0 3 365.547 2.116 10 0 FEAEHN CCC[C@@H](C(=O)N1CCN(Cc2c(C)nc3cc(C)ccn32)CC1)N(C)C ZINC000181721012 547367103 /nfs/dbraw/zinc/36/71/03/547367103.db2.gz QXCHNBLPXLNSGA-SFHVURJKSA-N 0 3 371.529 2.326 10 0 FEAEHN O=C(Nc1ccc(Cl)c(OC(F)F)c1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000181897166 547400489 /nfs/dbraw/zinc/40/04/89/547400489.db2.gz JWZRADVQCGMIGX-NSHDSACASA-N 0 3 373.787 2.187 10 0 FEAEHN CCOC(=O)[C@H](CC(C)C)N(C)C1CCN(CCn2cccn2)CC1 ZINC000182141055 547444094 /nfs/dbraw/zinc/44/40/94/547444094.db2.gz CAUFWYYASBYFEZ-SFHVURJKSA-N 0 3 350.507 2.257 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(OCC(F)F)cc2)C1 ZINC000182711436 547539179 /nfs/dbraw/zinc/53/91/79/547539179.db2.gz XFEWLSCJHYSRER-DOMZBBRYSA-N 0 3 362.442 2.338 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000185744400 548028337 /nfs/dbraw/zinc/02/83/37/548028337.db2.gz GZGNPVDTBLZJAB-FDYSRKEFSA-N 0 3 360.502 2.338 10 0 FEAEHN CCO[C@@H]1C[C@@H](N[C@@H](Cc2ccccc2)C(=O)N(C)C)C12CCOCC2 ZINC000186331048 548120518 /nfs/dbraw/zinc/12/05/18/548120518.db2.gz PQDRWAFYUXOUSI-IPMKNSEASA-N 0 3 360.498 2.250 10 0 FEAEHN Cc1ccc(N2CCCN(Cc3ccc4c(c3)CCC(=O)N4C)CC2)nn1 ZINC000186939450 548223730 /nfs/dbraw/zinc/22/37/30/548223730.db2.gz BSBCQKJTGNEJOT-UHFFFAOYSA-N 0 3 365.481 2.406 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000192936176 548375901 /nfs/dbraw/zinc/37/59/01/548375901.db2.gz VMPFBMOUPFADKQ-HNNXBMFYSA-N 0 3 351.497 2.286 10 0 FEAEHN COc1cccc(NC(=O)CN2CC[C@H](CN(C)Cc3cccnc3)C2)c1 ZINC000195272430 548608165 /nfs/dbraw/zinc/60/81/65/548608165.db2.gz VIZXOVAHVSGEJD-GOSISDBHSA-N 0 3 368.481 2.483 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN([C@@H](C)C(=O)NCC(C)C)C1 ZINC000195266639 548608282 /nfs/dbraw/zinc/60/82/82/548608282.db2.gz HVHQIOMOZXFCDR-HOTGVXAUSA-N 0 3 352.548 2.366 10 0 FEAEHN Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000195312242 548619815 /nfs/dbraw/zinc/61/98/15/548619815.db2.gz CDAIBWPFJAUCDM-NVXWUHKLSA-N 0 3 361.511 2.362 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1F)N1CCOCC1 ZINC000245438267 548920616 /nfs/dbraw/zinc/92/06/16/548920616.db2.gz XRFKFSUXSVPEOU-APWZRJJASA-N 0 3 363.477 2.142 10 0 FEAEHN C[C@@H]1CCCCN1CCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000245635018 548962914 /nfs/dbraw/zinc/96/29/14/548962914.db2.gz JDGWWANDVQMZGT-BJZITVGISA-N 0 3 361.461 2.336 10 0 FEAEHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)c1nnc2n1CCCC2 ZINC000245690066 548976037 /nfs/dbraw/zinc/97/60/37/548976037.db2.gz WWDORFXRRBQGHK-LESCRADOSA-N 0 3 368.485 2.420 10 0 FEAEHN O=C(CN1CCN2CCC[C@H]2C1)NCc1cccc(OCC(F)(F)F)c1 ZINC000246045921 549041137 /nfs/dbraw/zinc/04/11/37/549041137.db2.gz PJRKOLYTGMPPTA-HNNXBMFYSA-N 0 3 371.403 2.024 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2c(F)cc(Cl)cc2F)C1 ZINC000246051016 549042414 /nfs/dbraw/zinc/04/24/14/549042414.db2.gz PQHWNFDDCQCVMZ-NOZJJQNGSA-N 0 3 359.804 2.402 10 0 FEAEHN Cc1ccc(CN2CCCN(C(=O)CN3CCS[C@@H](C)C3)CC2)cc1 ZINC000246073205 549045615 /nfs/dbraw/zinc/04/56/15/549045615.db2.gz CIURLKLBPKBLQP-SFHVURJKSA-N 0 3 361.555 2.467 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](N[C@@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000246154189 549064734 /nfs/dbraw/zinc/06/47/34/549064734.db2.gz CNFHNBNPEXFDOH-VCTAVGKDSA-N 0 3 372.282 2.433 10 0 FEAEHN COc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1Cl ZINC000246272147 549093868 /nfs/dbraw/zinc/09/38/68/549093868.db2.gz ARSWZWUBVLPWLQ-BXUZGUMPSA-N 0 3 353.850 2.132 10 0 FEAEHN C[C@H](O)CN1CCN(C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C[C@@H]1C ZINC000246272349 549093905 /nfs/dbraw/zinc/09/39/05/549093905.db2.gz HFYPHVJRTKJQLN-FPXQBCRKSA-N 0 3 370.921 2.165 10 0 FEAEHN CCOC(=O)c1cc(CC)sc1NC(=O)CN1CCN2CCC[C@H]2C1 ZINC000246320114 549104205 /nfs/dbraw/zinc/10/42/05/549104205.db2.gz KLWUEUXKHVDBTF-ZDUSSCGKSA-N 0 3 365.499 2.206 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)Nc2ccn(CCc3ccncc3)n2)C1 ZINC000246550602 549160341 /nfs/dbraw/zinc/16/03/41/549160341.db2.gz WBOASIGHJMHUAD-DOTOQJQBSA-N 0 3 356.474 2.371 10 0 FEAEHN C[C@@H]1CN(C[C@@H](O)COc2cccc3ccccc32)C[C@@H]1N1CCOCC1 ZINC000246623108 549176287 /nfs/dbraw/zinc/17/62/87/549176287.db2.gz ZAAGRSYRNCZPKG-QFUCXCTJSA-N 0 3 370.493 2.232 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1nnn(-c2ccc(OC)cc2)c1C ZINC000246834022 549224554 /nfs/dbraw/zinc/22/45/54/549224554.db2.gz AUPGEOPRNSZLKF-RDJZCZTQSA-N 0 3 369.469 2.283 10 0 FEAEHN CC(C)COC(=O)N1CCC(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)CC1 ZINC000246962759 549251625 /nfs/dbraw/zinc/25/16/25/549251625.db2.gz DLCUKWONIOYEJG-RDJZCZTQSA-N 0 3 351.491 2.186 10 0 FEAEHN CCN1CCCC[C@H]1CNC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000247235455 549305404 /nfs/dbraw/zinc/30/54/04/549305404.db2.gz DIYPJBCCGHYJCA-ZBFHGGJFSA-N 0 3 367.515 2.325 10 0 FEAEHN Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC[C@@H](Cn2cncn2)C1 ZINC000247778022 549379615 /nfs/dbraw/zinc/37/96/15/549379615.db2.gz REQHORAYLLQAMS-QZTJIDSGSA-N 0 3 355.486 2.346 10 0 FEAEHN CC[C@@H]1CN(CCC(=O)Nc2cccc(Cl)c2)CCN1C[C@H](C)O ZINC000247881508 549389532 /nfs/dbraw/zinc/38/95/32/549389532.db2.gz ZHXXRLZWGNLNSU-WMLDXEAASA-N 0 3 353.894 2.446 10 0 FEAEHN COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCO[C@H](CN(C)C)C1 ZINC000248461571 549445522 /nfs/dbraw/zinc/44/55/22/549445522.db2.gz XNIUHRFSDXXOHS-IAQYHMDHSA-N 0 3 361.269 2.470 10 0 FEAEHN COCc1noc([C@@H](C)N2CC[C@@H](CN(C)Cc3scnc3C)C2)n1 ZINC000248644885 549475692 /nfs/dbraw/zinc/47/56/92/549475692.db2.gz FVMBQXCCBIPJBJ-KGLIPLIRSA-N 0 3 365.503 2.496 10 0 FEAEHN CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000249035329 549541757 /nfs/dbraw/zinc/54/17/57/549541757.db2.gz MOSWBVFZGXHFHZ-CHWSQXEVSA-N 0 3 354.413 2.038 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000249180363 549565807 /nfs/dbraw/zinc/56/58/07/549565807.db2.gz NAUSEBDNIXKZIP-IRXDYDNUSA-N 0 3 368.437 2.365 10 0 FEAEHN CN(C[C@H](O)CC(F)(F)F)C[C@H](c1cccs1)N1CCOCC1 ZINC000249498574 549596206 /nfs/dbraw/zinc/59/62/06/549596206.db2.gz WPLDNZWVWCKYGS-CHWSQXEVSA-N 0 3 352.422 2.367 10 0 FEAEHN COc1ccc2c(c1)c(CN1C[C@@H](CO)[C@H](c3nc(C)no3)C1)cn2C ZINC000253414984 549687341 /nfs/dbraw/zinc/68/73/41/549687341.db2.gz ZHKLCXBUJMIUBK-WMLDXEAASA-N 0 3 356.426 2.086 10 0 FEAEHN Cc1ccc(NC(=O)C2(N)CCOCC2)cc1NC(=O)c1ccncc1 ZINC000261829459 549760688 /nfs/dbraw/zinc/76/06/88/549760688.db2.gz KWPXPFOEFYVJTE-UHFFFAOYSA-N 0 3 354.410 2.089 10 0 FEAEHN C[C@@H]1CN(c2ccc(N[C@@H]3CCC[C@@H]3[C@@H]3COCCN3)cn2)C[C@@H](C)O1 ZINC000261900586 549768017 /nfs/dbraw/zinc/76/80/17/549768017.db2.gz HQSYQRNQFCIXPB-FDMITFGQSA-N 0 3 360.502 2.264 10 0 FEAEHN O=C(NC1CCCCC1)c1cc(NC(=O)[C@@H]2C[C@H](O)CN2)ccc1Cl ZINC000262550859 549827375 /nfs/dbraw/zinc/82/73/75/549827375.db2.gz SZARXVQXUNQFGC-BBRMVZONSA-N 0 3 365.861 2.064 10 0 FEAEHN CN1CCNC[C@H]1c1noc(Cc2csc(-c3cccc(F)c3)n2)n1 ZINC000263171290 549883399 /nfs/dbraw/zinc/88/33/99/549883399.db2.gz FTBCAIYOBCDMHO-AWEZNQCLSA-N 0 3 359.430 2.499 10 0 FEAEHN Cc1cc(C)n(Cc2ccc(-c3nc([C@@H]4CNCCN4C)no3)cc2)n1 ZINC000263203137 549885500 /nfs/dbraw/zinc/88/55/00/549885500.db2.gz JIGCPQMTNWWTMQ-KRWDZBQOSA-N 0 3 352.442 2.174 10 0 FEAEHN CN1CCNC[C@H]1c1noc(C2(c3ccc(Cl)cc3)CCOCC2)n1 ZINC000263206452 549885633 /nfs/dbraw/zinc/88/56/33/549885633.db2.gz JSEFLNQYXFFXKE-HNNXBMFYSA-N 0 3 362.861 2.396 10 0 FEAEHN CCCc1ccc(N2C[C@@H](c3nc([C@H]4CNCCN4C)no3)CC2=O)cc1 ZINC000263279434 549891538 /nfs/dbraw/zinc/89/15/38/549891538.db2.gz TZKGQUWDNCYIPP-DOTOQJQBSA-N 0 3 369.469 2.119 10 0 FEAEHN Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1CCCN1C ZINC000299618880 553590081 /nfs/dbraw/zinc/59/00/81/553590081.db2.gz KWHNKUCVNZXBKL-CQSZACIVSA-N 0 3 368.275 2.297 10 0 FEAEHN CNS(=O)(=O)c1ccc(NC[C@@H]2CCCCN2Cc2ccccc2)nc1 ZINC000301285062 553639134 /nfs/dbraw/zinc/63/91/34/553639134.db2.gz ZAAAHFDEOYWRHB-KRWDZBQOSA-N 0 3 374.510 2.456 10 0 FEAEHN CCN1CCC[C@@H]1CN(Cc1ccncc1)c1nn2c(nccc2=O)s1 ZINC000301521395 553658064 /nfs/dbraw/zinc/65/80/64/553658064.db2.gz DJLWLEGWBIXRDA-OAHLLOKOSA-N 0 3 370.482 2.037 10 0 FEAEHN Nc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)cc1 ZINC000311615144 553754876 /nfs/dbraw/zinc/75/48/76/553754876.db2.gz GDWNSNLEZLWXMG-LSTHTHJFSA-N 0 3 371.506 2.458 10 0 FEAEHN Cc1noc(C)c1COc1cccc(CN2C[C@@H](CO)[C@H](N(C)C)C2)c1 ZINC000409420621 558690590 /nfs/dbraw/zinc/69/05/90/558690590.db2.gz XQRKCWIZWHERES-FXAWDEMLSA-N 0 3 359.470 2.225 10 0 FEAEHN CCN1CCC[C@H](NC(=O)COc2ccc(C=O)cc2Br)C1 ZINC000173088712 672348077 /nfs/dbraw/zinc/34/80/77/672348077.db2.gz QSSQMZRHZUOCNP-ZDUSSCGKSA-N 0 3 369.259 2.241 10 0 FEAEHN C[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CN1C1CC1 ZINC000246311527 672834838 /nfs/dbraw/zinc/83/48/38/672834838.db2.gz BVZBZIGIOIOUPE-QPSCCSFWSA-N 0 3 351.491 2.421 10 0 FEAEHN CC(=O)N1C[C@@H](NCc2cccc3c2OCCO3)CC[C@@H]1C(F)(F)F ZINC000886063013 688198995 /nfs/dbraw/zinc/19/89/95/688198995.db2.gz FIHBJHNNVZCWKB-DZGCQCFKSA-N 0 3 358.360 2.489 10 0 FEAEHN CCN(CC)C(=O)c1cn(C[C@H]2CCCN(Cc3cccnc3)C2)nn1 ZINC000012247839 539552287 /nfs/dbraw/zinc/55/22/87/539552287.db2.gz GTEZBDPVLXBHIB-KRWDZBQOSA-N 0 3 356.474 2.067 10 0 FEAEHN Cc1nnnn1-c1cccc(NC(=O)N[C@@H](CN(C)C)c2ccccc2)c1 ZINC000045688963 540222071 /nfs/dbraw/zinc/22/20/71/540222071.db2.gz JLMPYIUHIIUUAA-SFHVURJKSA-N 0 3 365.441 2.395 10 0 FEAEHN COc1ccc([C@@H](NC(=O)NC[C@H](O)CN2CCCCC2)C2CC2)cc1 ZINC000049175789 540384391 /nfs/dbraw/zinc/38/43/91/540384391.db2.gz RPXJASIOOGZHBT-HKUYNNGSSA-N 0 3 361.486 2.292 10 0 FEAEHN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCCN(C)Cc1ccccc1 ZINC000053348759 540527945 /nfs/dbraw/zinc/52/79/45/540527945.db2.gz HWHSJPYTEWGPTF-INIZCTEOSA-N 0 3 354.454 2.445 10 0 FEAEHN CN(CCCCNC(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1 ZINC000054643573 540600014 /nfs/dbraw/zinc/60/00/14/540600014.db2.gz PUYQVSVVXDXXPX-LJQANCHMSA-N 0 3 362.518 2.049 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NCc2ccc(Cn3ccccc3=O)cc2)C1 ZINC000056823495 540748624 /nfs/dbraw/zinc/74/86/24/540748624.db2.gz DDLYJPUSSZFYPW-LJQANCHMSA-N 0 3 368.481 2.180 10 0 FEAEHN CCCC[C@H](NC(N)=O)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000067360659 541448973 /nfs/dbraw/zinc/44/89/73/541448973.db2.gz FSBPNKRZHFQCNI-ROUUACIJSA-N 0 3 360.502 2.384 10 0 FEAEHN CC(=O)NC[C@@H]1CCCN(C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000067412191 541460091 /nfs/dbraw/zinc/46/00/91/541460091.db2.gz HDDGHMQUMYGMDF-WMZOPIPTSA-N 0 3 354.878 2.066 10 0 FEAEHN C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccc(F)c(Cl)c1 ZINC000073050296 541913893 /nfs/dbraw/zinc/91/38/93/541913893.db2.gz XILOHJXIJYZPQL-DGCLKSJQSA-N 0 3 355.841 2.066 10 0 FEAEHN CSC[C@H](CCO)NC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000077798831 542421914 /nfs/dbraw/zinc/42/19/14/542421914.db2.gz PQICFNQRPMEYCK-ZWKOTPCHSA-N 0 3 365.543 2.454 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000079168251 542504976 /nfs/dbraw/zinc/50/49/76/542504976.db2.gz FEOCMBRWUCGWDL-LJQANCHMSA-N 0 3 361.534 2.322 10 0 FEAEHN CCS(=O)(=O)CCNC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000095353322 132206951 /nfs/dbraw/zinc/20/69/51/132206951.db2.gz QVTWDRYCASAQFQ-UHFFFAOYSA-N 0 3 365.421 2.094 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)C1 ZINC000105174544 543163204 /nfs/dbraw/zinc/16/32/04/543163204.db2.gz QBTLRRROBZHIEN-GOSISDBHSA-N 0 3 364.534 2.151 10 0 FEAEHN Cc1ccc(C)c(OC[C@@H](O)CN2CCC(Nc3cccnn3)CC2)c1 ZINC000106079974 543191999 /nfs/dbraw/zinc/19/19/99/543191999.db2.gz WBYGNGFBZHJMRP-SFHVURJKSA-N 0 3 356.470 2.410 10 0 FEAEHN C[C@H](C(=O)Nc1ccccc1)N(C)C1CCN(CCn2cccn2)CC1 ZINC000106130441 543205277 /nfs/dbraw/zinc/20/52/77/543205277.db2.gz IXFAXCBPOCHFQY-QGZVFWFLSA-N 0 3 355.486 2.307 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CCN1CCOC ZINC000106113464 543200807 /nfs/dbraw/zinc/20/08/07/543200807.db2.gz NDUGIRQQEJGUPX-MOPGFXCFSA-N 0 3 374.529 2.057 10 0 FEAEHN CC[C@H]1CN(C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CCN1CCOC ZINC000106113467 543201063 /nfs/dbraw/zinc/20/10/63/543201063.db2.gz NDUGIRQQEJGUPX-OALUTQOASA-N 0 3 374.529 2.057 10 0 FEAEHN C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC[C@H](Cn2cncn2)C1 ZINC000106175865 543213352 /nfs/dbraw/zinc/21/33/52/543213352.db2.gz WZMBPRLKYLZOPF-BBWFWOEESA-N 0 3 353.470 2.356 10 0 FEAEHN Cc1nc(C)n(C[C@@H]2CCCN(CCc3nc4ccccc4c(=O)[nH]3)C2)n1 ZINC000106177292 543214057 /nfs/dbraw/zinc/21/40/57/543214057.db2.gz DJEGIHQPCPBWET-MRXNPFEDSA-N 0 3 366.469 2.086 10 0 FEAEHN Cc1cnn([C@H]2CCCN(CCC(=O)Nc3sccc3C(N)=O)C2)c1 ZINC000106222339 543220217 /nfs/dbraw/zinc/22/02/17/543220217.db2.gz SUGVGIQSRNKCCB-ZDUSSCGKSA-N 0 3 361.471 2.018 10 0 FEAEHN CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000110867187 543370768 /nfs/dbraw/zinc/37/07/68/543370768.db2.gz QNTQUJSUQMYPHI-HZPDHXFCSA-N 0 3 351.441 2.164 10 0 FEAEHN CN(C)CCOc1ccccc1C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110877018 543371822 /nfs/dbraw/zinc/37/18/22/543371822.db2.gz AJAJRXAYNPNRJS-MRXNPFEDSA-N 0 3 361.467 2.297 10 0 FEAEHN Cc1ncc(CN2CCN(C(=O)[C@H](C)N3[C@H](C)CC[C@@H]3C)CC2)s1 ZINC000111622768 543409481 /nfs/dbraw/zinc/40/94/81/543409481.db2.gz IWNZLFWYGAZYPI-ZNMIVQPWSA-N 0 3 350.532 2.357 10 0 FEAEHN C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N1CCO[C@H](CN(C)C)C1 ZINC000111690675 543411574 /nfs/dbraw/zinc/41/15/74/543411574.db2.gz MUFGHZADDPGWHU-CSODHUTKSA-N 0 3 373.541 2.394 10 0 FEAEHN CN(CCCc1cc(-c2ccccc2)no1)C[C@@H](O)CN1CCCC1=O ZINC000111686412 543411608 /nfs/dbraw/zinc/41/16/08/543411608.db2.gz ABBUOKNXFCLDSJ-QGZVFWFLSA-N 0 3 357.454 2.189 10 0 FEAEHN O=C(NCc1cccnc1)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000112549900 543451213 /nfs/dbraw/zinc/45/12/13/543451213.db2.gz FIAGVNIJNQFOSY-FQEVSTJZSA-N 0 3 368.481 2.326 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)N(C)Cc1ccccc1)CC2 ZINC000112551966 543452097 /nfs/dbraw/zinc/45/20/97/543452097.db2.gz GFYJBQKFPLLRDM-RDJZCZTQSA-N 0 3 355.486 2.353 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)NC[C@@H]3CC=CCC3)CC2)nc1 ZINC000114592253 543525021 /nfs/dbraw/zinc/52/50/21/543525021.db2.gz HITXSDBNYYXXHI-QGZVFWFLSA-N 0 3 357.502 2.331 10 0 FEAEHN CCc1nc2n(n1)C[C@H](NC(=O)N1CCN(C3CCC(C)CC3)CC1)CC2 ZINC000115830599 543588922 /nfs/dbraw/zinc/58/89/22/543588922.db2.gz OCDZGFJUSUKLQH-AQFXKWCLSA-N 0 3 374.533 2.061 10 0 FEAEHN O[C@H](CNc1nc(-c2ccccn2)nc2c1CCC2)CN1CCCCC1 ZINC000116870350 543618437 /nfs/dbraw/zinc/61/84/37/543618437.db2.gz MLRXIJKXVCITTL-OAHLLOKOSA-N 0 3 353.470 2.286 10 0 FEAEHN CN(C)C(=O)[C@H]1CCCN1CCC(=O)Nc1cccc(Br)c1 ZINC000123768257 543781974 /nfs/dbraw/zinc/78/19/74/543781974.db2.gz BOFXTJBHJSUTKJ-CQSZACIVSA-N 0 3 368.275 2.330 10 0 FEAEHN CN1C(=O)C[C@H](C(=O)N2CC[C@H](N3CCCC3)C2)[C@@H]1c1ccc(F)cc1 ZINC000127066077 543971165 /nfs/dbraw/zinc/97/11/65/543971165.db2.gz OBYSXCCJLKEDPQ-LNLFQRSKSA-N 0 3 359.445 2.042 10 0 FEAEHN COc1cc(C(=O)N(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)on1 ZINC000126508870 543940266 /nfs/dbraw/zinc/94/02/66/543940266.db2.gz IWINHPVSYSAKPW-QGZVFWFLSA-N 0 3 373.453 2.201 10 0 FEAEHN CC(C)COc1ccc([C@H](C)NC(=O)NC[C@@](C)(O)CN(C)C)cc1 ZINC000130828609 544166961 /nfs/dbraw/zinc/16/69/61/544166961.db2.gz IRFRTHUYVZDREH-HNAYVOBHSA-N 0 3 351.491 2.394 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC000132161743 544221414 /nfs/dbraw/zinc/22/14/14/544221414.db2.gz YEYHFANPUANXSJ-MJGOQNOKSA-N 0 3 372.513 2.273 10 0 FEAEHN COc1cccc(N2CCN(C(=O)N[C@H]3CN(C(C)C)C[C@@H]3C)CC2)c1 ZINC000132418625 544230568 /nfs/dbraw/zinc/23/05/68/544230568.db2.gz GNTPNVPRVHWDLD-LPHOPBHVSA-N 0 3 360.502 2.256 10 0 FEAEHN COc1ccccc1N1CCN(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)CC1 ZINC000132538138 544234735 /nfs/dbraw/zinc/23/47/35/544234735.db2.gz OGUUNIPVQZQIMR-SJORKVTESA-N 0 3 360.502 2.256 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CCO1 ZINC000133760802 544282480 /nfs/dbraw/zinc/28/24/80/544282480.db2.gz NFXJVCPVESYAMU-BPLDGKMQSA-N 0 3 372.387 2.478 10 0 FEAEHN CN1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000139176027 544400530 /nfs/dbraw/zinc/40/05/30/544400530.db2.gz FKTCSYFRPABSEL-COZJESOBSA-N 0 3 373.541 2.404 10 0 FEAEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)[C@H]1CCCCO1 ZINC000152540999 544666037 /nfs/dbraw/zinc/66/60/37/544666037.db2.gz UUGLKBYSYWOUSH-WOJBJXKFSA-N 0 3 360.498 2.460 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc(-c2ncco2)c1 ZINC000153373675 544767402 /nfs/dbraw/zinc/76/74/02/544767402.db2.gz COYTUROZFXCZAA-MRXNPFEDSA-N 0 3 356.426 2.223 10 0 FEAEHN O[C@@H](Cc1ccc(C(F)(F)F)cc1)CN1CC[C@H](N2CCOCC2)C1 ZINC000153559917 544791018 /nfs/dbraw/zinc/79/10/18/544791018.db2.gz LETUJJSMFLGKJM-IRXDYDNUSA-N 0 3 358.404 2.015 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](CO)Cc1ccccc1 ZINC000153927224 544841058 /nfs/dbraw/zinc/84/10/58/544841058.db2.gz JUYVFLRWMUBPKT-PXNSSMCTSA-N 0 3 355.482 2.410 10 0 FEAEHN COC(=O)[C@@H](c1ccccc1F)N(C)C1CCN(CCn2cccn2)CC1 ZINC000155111661 544990913 /nfs/dbraw/zinc/99/09/13/544990913.db2.gz UKJGNOJTVOJXBM-LJQANCHMSA-N 0 3 374.460 2.333 10 0 FEAEHN Cc1nc(C)n(C[C@H]2CCCN(C[C@@H](O)COc3cccc(C)c3)C2)n1 ZINC000155186304 544998960 /nfs/dbraw/zinc/99/89/60/544998960.db2.gz AXHWVLMQGUBKGI-RBUKOAKNSA-N 0 3 358.486 2.355 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)CC2 ZINC000180627223 327694375 /nfs/dbraw/zinc/69/43/75/327694375.db2.gz XAIYKWKUDUFCFD-WCQYABFASA-N 0 3 366.462 2.049 10 0 FEAEHN C[C@H](N[C@@H]1CCCN(c2cnn(C)c2)C1=O)c1cccc(-n2ccnc2)c1 ZINC000180653369 327695685 /nfs/dbraw/zinc/69/56/85/327695685.db2.gz QAYMDIUUVBEKQW-HNAYVOBHSA-N 0 3 364.453 2.452 10 0 FEAEHN CC(=O)Nc1ccc(Cl)c(NC(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000181177682 327719242 /nfs/dbraw/zinc/71/92/42/327719242.db2.gz RWNZWOZXZAOGCI-CYBMUJFWSA-N 0 3 354.838 2.093 10 0 FEAEHN CN(Cc1nnc(C2CC2)n1C1CC1)C1CCN(CCn2cccn2)CC1 ZINC000181288577 327723384 /nfs/dbraw/zinc/72/33/84/327723384.db2.gz IJDMVQVYWIDMSC-UHFFFAOYSA-N 0 3 369.517 2.283 10 0 FEAEHN C[C@@H](NCC(=O)Nc1ccccc1I)[C@H]1CCCO1 ZINC000183139466 327803505 /nfs/dbraw/zinc/80/35/05/327803505.db2.gz PIGWPUIZUWUXOG-ZWNOBZJWSA-N 0 3 374.222 2.387 10 0 FEAEHN Cc1nn(-c2ccccc2)cc1NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000183527310 327822553 /nfs/dbraw/zinc/82/25/53/327822553.db2.gz BHBMCKFYIWBWPJ-INIZCTEOSA-N 0 3 371.485 2.212 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2csc(Cc3cccc(F)c3)n2)CCO1 ZINC000183821124 327837629 /nfs/dbraw/zinc/83/76/29/327837629.db2.gz SWMDQZRMSRXRKT-HNNXBMFYSA-N 0 3 363.458 2.276 10 0 FEAEHN Cc1ccc2c(CCNC(=O)NC[C@H](O)CN3CCCCC3)cn(C)c2c1 ZINC000187769564 328045012 /nfs/dbraw/zinc/04/50/12/328045012.db2.gz FTINPTAFQPPEOF-SFHVURJKSA-N 0 3 372.513 2.175 10 0 FEAEHN CCN1CCN(Cc2ccc(CNC(=O)[C@H]3CCCO[C@H]3C)cc2)CC1 ZINC000188736041 328107418 /nfs/dbraw/zinc/10/74/18/328107418.db2.gz LTDKNKAJUXODQS-PXNSSMCTSA-N 0 3 359.514 2.255 10 0 FEAEHN Cc1ccc(-n2cc(NC(=O)NC[C@H](O)CN3CCCCC3)cn2)c(C)c1 ZINC000189665756 328160878 /nfs/dbraw/zinc/16/08/78/328160878.db2.gz BOAMNHXFGFNMOJ-SFHVURJKSA-N 0 3 371.485 2.457 10 0 FEAEHN Cc1ncc(-c2ccc(NC(=O)C(=O)N3C[C@H]4CCCN4C[C@@H]3C)cc2)o1 ZINC000190103265 328188464 /nfs/dbraw/zinc/18/84/64/328188464.db2.gz MATVFIGLVRKIEX-SUMWQHHRSA-N 0 3 368.437 2.284 10 0 FEAEHN CC[C@@H]1CN(Cc2ccn(-c3ccc(F)cc3F)n2)CCN1C[C@@H](C)O ZINC000190218937 328194897 /nfs/dbraw/zinc/19/48/97/328194897.db2.gz JVMHHBNFQIFEHA-RHSMWYFYSA-N 0 3 364.440 2.428 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000190350584 328202155 /nfs/dbraw/zinc/20/21/55/328202155.db2.gz XDNITCSXBBOJSP-DLBZAZTESA-N 0 3 367.453 2.100 10 0 FEAEHN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000190516316 328213238 /nfs/dbraw/zinc/21/32/38/328213238.db2.gz KQSIECHYSSFXIF-HNNXBMFYSA-N 0 3 355.523 2.029 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)CCc2cnn(C)c2)C1 ZINC000190561540 328216421 /nfs/dbraw/zinc/21/64/21/328216421.db2.gz MSHPGZKMXAQUKU-INIZCTEOSA-N 0 3 361.515 2.098 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC000190581918 328217603 /nfs/dbraw/zinc/21/76/03/328217603.db2.gz YSXIOWOFTXDTFY-IAGOWNOFSA-N 0 3 353.470 2.205 10 0 FEAEHN C[C@@H](Oc1cccnc1)C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190580612 328217665 /nfs/dbraw/zinc/21/76/65/328217665.db2.gz ZOTNQGKOFOWPCV-AEFFLSMTSA-N 0 3 354.454 2.224 10 0 FEAEHN CNC(=O)c1cccc(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190591230 328218385 /nfs/dbraw/zinc/21/83/85/328218385.db2.gz OXLDBKRUNPTUJE-QGZVFWFLSA-N 0 3 366.465 2.035 10 0 FEAEHN CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000191909723 328288117 /nfs/dbraw/zinc/28/81/17/328288117.db2.gz DUKAMSREHMNYBK-UHFFFAOYSA-N 0 3 372.469 2.441 10 0 FEAEHN CC[C@H](C(=O)OC(C)(C)C)N(C)C1CCN(CCn2cccn2)CC1 ZINC000192003718 328293149 /nfs/dbraw/zinc/29/31/49/328293149.db2.gz XEWFMKJWGJIIIF-QGZVFWFLSA-N 0 3 350.507 2.400 10 0 FEAEHN CCOC(=O)c1oc2c(c1C)[C@H](NC[C@H](C)N1CCOCC1)CCC2 ZINC000192634883 328330125 /nfs/dbraw/zinc/33/01/25/328330125.db2.gz MQJJKXLMYDEMSE-DZGCQCFKSA-N 0 3 350.459 2.452 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)CC2CCCC2)C1 ZINC000192940682 328348207 /nfs/dbraw/zinc/34/82/07/328348207.db2.gz FHPXYXRWARSSIF-SFHVURJKSA-N 0 3 351.516 2.355 10 0 FEAEHN CCCCOC[C@@H](O)CN1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000193374419 328371451 /nfs/dbraw/zinc/37/14/51/328371451.db2.gz BGVMFJINSIJUKD-IBGZPJMESA-N 0 3 360.498 2.465 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000193410751 328373664 /nfs/dbraw/zinc/37/36/64/328373664.db2.gz KMFBYRLCAVKNRY-CHWSQXEVSA-N 0 3 362.499 2.046 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000078614517 325054253 /nfs/dbraw/zinc/05/42/53/325054253.db2.gz SKNIBBOHVGBHBR-INIZCTEOSA-N 0 3 361.486 2.285 10 0 FEAEHN CCN(C(=O)C(C)S(=O)(=O)Cc1nnc(C)n1CC)C1CCCCC1 ZINC000091049876 325371375 /nfs/dbraw/zinc/37/13/75/325371375.db2.gz QWSMGOBQMBWFGN-CYBMUJFWSA-N 0 3 370.519 2.091 10 0 FEAEHN Clc1ccc(C2=NO[C@@H](CN3CCN(C[C@H]4CCOC4)CC3)C2)cc1 ZINC000091676189 325389454 /nfs/dbraw/zinc/38/94/54/325389454.db2.gz KLJIYWUQVTVXJB-CRAIPNDOSA-N 0 3 363.889 2.487 10 0 FEAEHN CN(C)C[C@@H](NC(=O)C1CCN(C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000097326824 325461034 /nfs/dbraw/zinc/46/10/34/325461034.db2.gz SLJXHLMSDYESOG-LJQANCHMSA-N 0 3 372.513 2.333 10 0 FEAEHN CSCCc1ccc(NC(=O)C(=O)N(C)CC2CCN(C)CC2)cc1 ZINC000103632315 325526132 /nfs/dbraw/zinc/52/61/32/325526132.db2.gz KRFNJPOVKSJBJP-UHFFFAOYSA-N 0 3 363.527 2.331 10 0 FEAEHN C[C@@H](NC(=O)[C@H](C)N[C@@H]1CCc2ncnn2C1)c1cc2ccccc2o1 ZINC000107304268 325623781 /nfs/dbraw/zinc/62/37/81/325623781.db2.gz NOCJVDVQZIHWGN-VNHYZAJKSA-N 0 3 353.426 2.195 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@H](C)c1nc(=O)c3c(C)c(C)sc3[nH]1)CC2 ZINC000112550721 325790191 /nfs/dbraw/zinc/79/01/91/325790191.db2.gz VNSQBCCLIZWHAI-ZYHUDNBSSA-N 0 3 372.498 2.421 10 0 FEAEHN C[C@@H](N[C@@H]1CCc2ncnn2C1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000112550179 325790375 /nfs/dbraw/zinc/79/03/75/325790375.db2.gz BGYZRDWOEZTTAB-ZYHUDNBSSA-N 0 3 369.347 2.108 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@H](C)C(=O)NCCc1cccs1)CC2 ZINC000112551602 325790677 /nfs/dbraw/zinc/79/06/77/325790677.db2.gz PRBRFVYRMFNZQR-ZIAGYGMSSA-N 0 3 361.515 2.115 10 0 FEAEHN CCc1noc([C@H](C)N2CCN(C(=O)[C@@H](C)N3CCCCCC3)CC2)n1 ZINC000114276189 325880931 /nfs/dbraw/zinc/88/09/31/325880931.db2.gz PDOCAEAPWVMSST-JKSUJKDBSA-N 0 3 363.506 2.102 10 0 FEAEHN Cc1cccc(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)c1O ZINC000114539364 325902787 /nfs/dbraw/zinc/90/27/87/325902787.db2.gz GJXRMCUTRATHPD-UHFFFAOYSA-N 0 3 354.454 2.120 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CCO1 ZINC000116785726 326035050 /nfs/dbraw/zinc/03/50/50/326035050.db2.gz FZRKEJLPTRPUOW-SNVBAGLBSA-N 0 3 355.847 2.459 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2cccc(OCc3cccnc3)c2)CCO1 ZINC000116783862 326035103 /nfs/dbraw/zinc/03/51/03/326035103.db2.gz CDWWVVXUHDIJPN-LJQANCHMSA-N 0 3 355.438 2.063 10 0 FEAEHN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000116790872 326036004 /nfs/dbraw/zinc/03/60/04/326036004.db2.gz XRPLIAAWVZDYMN-STQMWFEESA-N 0 3 360.376 2.262 10 0 FEAEHN Cc1ccccc1-n1ccnc1SCC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000116790312 326036169 /nfs/dbraw/zinc/03/61/69/326036169.db2.gz KBZMDAYZTZZBEA-INIZCTEOSA-N 0 3 374.510 2.062 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCSc3ccc(F)cc32)CCO1 ZINC000117028178 326047744 /nfs/dbraw/zinc/04/77/44/326047744.db2.gz IFCNGOPGUIUDBL-UKRRQHHQSA-N 0 3 353.463 2.335 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)N[C@H]2CCSc3c(F)cccc32)CCO1 ZINC000117033445 326048522 /nfs/dbraw/zinc/04/85/22/326048522.db2.gz MQDGDDHCRZYJBH-DOMZBBRYSA-N 0 3 353.463 2.335 10 0 FEAEHN Cc1cccc(NC(=O)N2CCO[C@@H](CN(C)C)C2)c1C(=O)N1CCCC1 ZINC000118801911 326103764 /nfs/dbraw/zinc/10/37/64/326103764.db2.gz JYJVTICQXKZDCZ-INIZCTEOSA-N 0 3 374.485 2.025 10 0 FEAEHN COC(=O)c1ccc(CN(C)C2CCN(CCn3cccn3)CC2)s1 ZINC000118987994 326115666 /nfs/dbraw/zinc/11/56/66/326115666.db2.gz HPSWSJOZHKCXSA-UHFFFAOYSA-N 0 3 362.499 2.328 10 0 FEAEHN CCOCCN1CCN(Cc2cn(C)nc2-c2ccncc2)C[C@@H]1CC ZINC000121012678 326306384 /nfs/dbraw/zinc/30/63/84/326306384.db2.gz WQKRLTDYPNDGDA-IBGZPJMESA-N 0 3 357.502 2.415 10 0 FEAEHN CCn1ncc2ccc(NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C)cc21 ZINC000121664386 326356439 /nfs/dbraw/zinc/35/64/39/326356439.db2.gz YPBAUWIOBVYNDL-INIZCTEOSA-N 0 3 359.474 2.087 10 0 FEAEHN CC(C)Oc1cncc(C(=O)N(C)C2CCN(CCn3cccn3)CC2)c1 ZINC000122167122 326386270 /nfs/dbraw/zinc/38/62/70/326386270.db2.gz DHNZJADNONPBEN-UHFFFAOYSA-N 0 3 371.485 2.302 10 0 FEAEHN Cc1nc(NC(=O)NC[C@H](O)CN2CCCCC2)ccc1Br ZINC000128753625 326529309 /nfs/dbraw/zinc/52/93/09/326529309.db2.gz FSRGWDFCHUJGCQ-LBPRGKRZSA-N 0 3 371.279 2.121 10 0 FEAEHN C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)c2ccccc21 ZINC000151605647 326686703 /nfs/dbraw/zinc/68/67/03/326686703.db2.gz UCVZSJPYADFHEW-PBHICJAKSA-N 0 3 369.469 2.138 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](c1ccccc1)N(C)C)CC2 ZINC000155100721 326777657 /nfs/dbraw/zinc/77/76/57/326777657.db2.gz OPUXTFBUZPLZCH-IRXDYDNUSA-N 0 3 370.501 2.318 10 0 FEAEHN CC[C@H](NC(=O)CN1CCO[C@H](CN(C)C)C1)c1ccc(Cl)cc1 ZINC000155321238 326784566 /nfs/dbraw/zinc/78/45/66/326784566.db2.gz DIVLYAWNSSQJNC-SJORKVTESA-N 0 3 353.894 2.170 10 0 FEAEHN CCN(C(=O)CN1CCO[C@H](CN(C)C)C1)c1cccc2ccccc21 ZINC000155339148 326785188 /nfs/dbraw/zinc/78/51/88/326785188.db2.gz LIAKXNIFOMLKAN-GOSISDBHSA-N 0 3 355.482 2.455 10 0 FEAEHN Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000163045249 327041362 /nfs/dbraw/zinc/04/13/62/327041362.db2.gz LZOWFCJJVMJKMP-AWEZNQCLSA-N 0 3 362.861 2.237 10 0 FEAEHN COc1cccc([C@H](CNC(=O)N2CC[C@@H](N(C)C)C2)N2CCCC2)c1 ZINC000170863271 327103600 /nfs/dbraw/zinc/10/36/00/327103600.db2.gz OJJZZZTWZBPQKI-MJGOQNOKSA-N 0 3 360.502 2.178 10 0 FEAEHN CC(=O)c1c(C)[nH]c(C(=O)CN(C)CC2CCN(C[C@@H](C)O)CC2)c1C ZINC000170941947 327108768 /nfs/dbraw/zinc/10/87/68/327108768.db2.gz RWEGCFFPBYNOGA-CYBMUJFWSA-N 0 3 363.502 2.041 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)C1 ZINC000171071350 327115809 /nfs/dbraw/zinc/11/58/09/327115809.db2.gz GFJLQIJYKGVJLH-AWEZNQCLSA-N 0 3 352.866 2.344 10 0 FEAEHN O=C(NC[C@@H](O)CN1CCCCC1)N[C@H](c1nccs1)c1ccccc1 ZINC000171445810 327140010 /nfs/dbraw/zinc/14/00/10/327140010.db2.gz UVXXRSZSIKJVEY-SJORKVTESA-N 0 3 374.510 2.379 10 0 FEAEHN CSCC[C@@H](NC(=O)N1CCN2CCC[C@@H]2C1)c1nnc2ccccn21 ZINC000171899397 327168281 /nfs/dbraw/zinc/16/82/81/327168281.db2.gz TWBKUTDJUGXKKW-HUUCEWRRSA-N 0 3 374.514 2.013 10 0 FEAEHN CCCCNC(=O)c1ccc(CNC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000171902369 327168979 /nfs/dbraw/zinc/16/89/79/327168979.db2.gz PIUPGZLIOWSMBA-GOSISDBHSA-N 0 3 358.486 2.206 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)NCc3ccsc3)CC2)nc1 ZINC000172068015 327178916 /nfs/dbraw/zinc/17/89/16/327178916.db2.gz XQOPDWCKYJRHQR-UHFFFAOYSA-N 0 3 359.499 2.237 10 0 FEAEHN CN(C)C[C@@H](NC(=O)Nc1ccc(OCCC(N)=O)cc1)c1ccccc1 ZINC000173135574 327237130 /nfs/dbraw/zinc/23/71/30/327237130.db2.gz LCIWYGCEQZUZRX-GOSISDBHSA-N 0 3 370.453 2.365 10 0 FEAEHN CC(C)c1nc(C(=O)N2CCN3CCC[C@@H]3C2)nn1-c1ccccc1F ZINC000173575683 327268140 /nfs/dbraw/zinc/26/81/40/327268140.db2.gz VTIZUUBBDXWHDD-CQSZACIVSA-N 0 3 357.433 2.450 10 0 FEAEHN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000173600153 327270007 /nfs/dbraw/zinc/27/00/07/327270007.db2.gz WHKCNVUSJJLBRU-ZWKOTPCHSA-N 0 3 351.466 2.365 10 0 FEAEHN CCN(CC)C(=O)[C@H](C)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000173647221 327273703 /nfs/dbraw/zinc/27/37/03/327273703.db2.gz LNAGOOXYMUDFBX-OWCLPIDISA-N 0 3 353.532 2.356 10 0 FEAEHN CCOC(=O)c1ccc(N2CCN(c3ccc(CN(C)C)cn3)CC2)nc1 ZINC000174743071 327347871 /nfs/dbraw/zinc/34/78/71/327347871.db2.gz JBILZGKISRKWIH-UHFFFAOYSA-N 0 3 369.469 2.042 10 0 FEAEHN CCc1nnc(-c2ccc(NC(=O)NC[C@H](O)CN3CCCCC3)cc2)o1 ZINC000176027180 327428948 /nfs/dbraw/zinc/42/89/48/327428948.db2.gz CPMRAEAWXLNICI-INIZCTEOSA-N 0 3 373.457 2.267 10 0 FEAEHN CN1C(=O)C[C@@H](C(=O)Nc2ccc3c(c2F)CCNC3)[C@@H]1c1cccnc1 ZINC000261717046 328814250 /nfs/dbraw/zinc/81/42/50/328814250.db2.gz LEPJUGVSBHCLPX-BEFAXECRSA-N 0 3 368.412 2.025 10 0 FEAEHN C[C@@H](NC(=O)C1(N)CCOCC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000261746961 328816336 /nfs/dbraw/zinc/81/63/36/328816336.db2.gz DYKIJCMCUOSBPJ-SNVBAGLBSA-N 0 3 350.806 2.075 10 0 FEAEHN N[C@H](C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1)C1CCOCC1 ZINC000261761981 328817738 /nfs/dbraw/zinc/81/77/38/328817738.db2.gz LTUCSVYPJDPVNZ-HOTGVXAUSA-N 0 3 372.387 2.359 10 0 FEAEHN CCNC(=O)N1CCc2ccc(N[C@@H]3CCC[C@@H]3[C@H]3COCCN3)cc21 ZINC000261950113 328831095 /nfs/dbraw/zinc/83/10/95/328831095.db2.gz OFDODQTUHQYBLI-RCCFBDPRSA-N 0 3 358.486 2.348 10 0 FEAEHN NC1(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)CCOCC1 ZINC000261951270 328831456 /nfs/dbraw/zinc/83/14/56/328831456.db2.gz YZTRMTKDCNADDC-UHFFFAOYSA-N 0 3 374.828 2.434 10 0 FEAEHN COc1ccc([C@H]2CCNC[C@@H]2NS(=O)(=O)CC2CCCC2)cc1 ZINC000262177248 328848310 /nfs/dbraw/zinc/84/83/10/328848310.db2.gz BELCTYZXLTXANY-MSOLQXFVSA-N 0 3 352.500 2.250 10 0 FEAEHN O=C(Nc1nc(-c2cccc(Br)c2)cs1)[C@@H]1C[C@H](O)CN1 ZINC000262453906 328866636 /nfs/dbraw/zinc/86/66/36/328866636.db2.gz FCFDNFWQTMCYIG-QWRGUYRKSA-N 0 3 368.256 2.234 10 0 FEAEHN CSCC[C@H](NC(=O)c1[nH]nc2c1CNCC2)c1nc2ccccc2[nH]1 ZINC000262759068 328887210 /nfs/dbraw/zinc/88/72/10/328887210.db2.gz FLZWJVSSCMKYAX-HNNXBMFYSA-N 0 3 370.482 2.156 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(Cc2ccc(F)c(Br)c2)n1 ZINC000263238917 328927397 /nfs/dbraw/zinc/92/73/97/328927397.db2.gz OIQHSTKEZXUYPC-GFCCVEGCSA-N 0 3 355.211 2.138 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000156090949 545598865 /nfs/dbraw/zinc/59/88/65/545598865.db2.gz IJFQBFVSVSMBES-GFCCVEGCSA-N 0 3 371.279 2.096 10 0 FEAEHN O=C(CC[C@H]1CCOC1)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000176224606 546421486 /nfs/dbraw/zinc/42/14/86/546421486.db2.gz UUKJATUYZHPFIX-ICSRJNTNSA-N 0 3 360.498 2.365 10 0 FEAEHN Cc1cnn(CCNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)c1 ZINC000176247843 546423870 /nfs/dbraw/zinc/42/38/70/546423870.db2.gz LUEJQKJATFFWPP-UHFFFAOYSA-N 0 3 355.486 2.498 10 0 FEAEHN CCc1nc2cc(NC(=O)C(=O)N(C)C[C@H]3CCCN3CC)ccc2o1 ZINC000176897292 546502508 /nfs/dbraw/zinc/50/25/08/546502508.db2.gz GWFFXFGXSYSXKL-CQSZACIVSA-N 0 3 358.442 2.271 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000176978878 546518090 /nfs/dbraw/zinc/51/80/90/546518090.db2.gz WZCKCWASHSXQIC-SOLBZPMBSA-N 0 3 360.502 2.252 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 ZINC000177027294 546526850 /nfs/dbraw/zinc/52/68/50/546526850.db2.gz JNOMMRVFGWSXNQ-GOSISDBHSA-N 0 3 360.458 2.160 10 0 FEAEHN O=C(Nc1cccc(CC(F)(F)F)c1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177688736 546667294 /nfs/dbraw/zinc/66/72/94/546667294.db2.gz SHEXHEBNPHYVLE-CQSZACIVSA-N 0 3 355.360 2.037 10 0 FEAEHN O=C(Nc1cccc(Oc2ccncc2)c1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177697525 546669733 /nfs/dbraw/zinc/66/97/33/546669733.db2.gz PPCGRKBLOHYNNC-MRXNPFEDSA-N 0 3 366.421 2.119 10 0 FEAEHN CCCOc1ccc(Cl)cc1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177698127 546670517 /nfs/dbraw/zinc/67/05/17/546670517.db2.gz OMCDQGGHCKZSRS-CQSZACIVSA-N 0 3 365.861 2.374 10 0 FEAEHN C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCN2CCC[C@@H]2C1 ZINC000178639192 546825925 /nfs/dbraw/zinc/82/59/25/546825925.db2.gz AJXJJKUJUZFULS-HUUCEWRRSA-N 0 3 358.511 2.423 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(-n3cnnn3)cc1)CC2 ZINC000180638342 547148558 /nfs/dbraw/zinc/14/85/58/547148558.db2.gz WUAYGENEECKUTE-ZFWWWQNUSA-N 0 3 352.446 2.043 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1ccc(S(=O)(=O)CC)cc1 ZINC000180898578 547205845 /nfs/dbraw/zinc/20/58/45/547205845.db2.gz BTKWUMCPOFWHIW-INIZCTEOSA-N 0 3 367.515 2.106 10 0 FEAEHN COc1cc(F)ccc1NC(=O)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000180905867 547206320 /nfs/dbraw/zinc/20/63/20/547206320.db2.gz YNCQORUTBKXRNJ-AWEZNQCLSA-N 0 3 373.428 2.410 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000181776782 547379380 /nfs/dbraw/zinc/37/93/80/547379380.db2.gz DOYPOVUUAAVVEE-JTQLQIEISA-N 0 3 361.776 2.042 10 0 FEAEHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000184410387 547822843 /nfs/dbraw/zinc/82/28/43/547822843.db2.gz WIUIEJOEMUWMJS-FVQBIDKESA-N 0 3 351.441 2.211 10 0 FEAEHN C[C@@H](O)CN1CCN(Cc2nc3ccc(Br)cc3[nH]2)C[C@H]1C ZINC000184966779 547909216 /nfs/dbraw/zinc/90/92/16/547909216.db2.gz KNWZCSWXIUJROT-VXGBXAGGSA-N 0 3 367.291 2.212 10 0 FEAEHN CCO[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)C2CCCC2)C12CCOCC2 ZINC000185683538 548019674 /nfs/dbraw/zinc/01/96/74/548019674.db2.gz KTVWGZILUKKVTB-QZTJIDSGSA-N 0 3 367.534 2.476 10 0 FEAEHN CCCCOc1cc(OC)ccc1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000185952287 548064202 /nfs/dbraw/zinc/06/42/02/548064202.db2.gz SHLPVCATKKOCCB-INIZCTEOSA-N 0 3 350.459 2.277 10 0 FEAEHN Cc1csc(=O)n1CCN1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000186028244 548074761 /nfs/dbraw/zinc/07/47/61/548074761.db2.gz IDXRPHSHJQTRPP-ZNMIVQPWSA-N 0 3 367.515 2.453 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@@H]1CCC[C@@H]1CCO ZINC000189941134 548314331 /nfs/dbraw/zinc/31/43/31/548314331.db2.gz COCISDWKQKRVHG-NVXWUHKLSA-N 0 3 350.507 2.021 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)C1 ZINC000194175975 548445786 /nfs/dbraw/zinc/44/57/86/548445786.db2.gz DLCOWODCIHQOLA-WMZOPIPTSA-N 0 3 364.534 2.151 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 ZINC000194311939 548464277 /nfs/dbraw/zinc/46/42/77/548464277.db2.gz YFOJTJSSLASXMU-OAHLLOKOSA-N 0 3 357.458 2.090 10 0 FEAEHN CCCCOc1ccc(C(=O)NCC(=O)N[C@@H]2CCCN(CC)C2)cc1 ZINC000194640145 548510088 /nfs/dbraw/zinc/51/00/88/548510088.db2.gz JCRYKCWXEZRHIO-QGZVFWFLSA-N 0 3 361.486 2.196 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(Cc2nsc(N(C)C)n2)C1 ZINC000195254512 548603814 /nfs/dbraw/zinc/60/38/14/548603814.db2.gz WXCAZRWUMSTFNX-ZDUSSCGKSA-N 0 3 366.560 2.323 10 0 FEAEHN CSc1ccc(N2C[C@@H](C(=O)N3CCN4CCC[C@@H]4C3)CC2=O)cc1 ZINC000195327905 548623732 /nfs/dbraw/zinc/62/37/32/548623732.db2.gz LTMUVVOOWJEHNN-GOEBONIOSA-N 0 3 359.495 2.068 10 0 FEAEHN O=C(CCN1CCC(c2cc[nH]n2)CC1)NC(=O)NCc1ccccc1 ZINC000195505282 548652639 /nfs/dbraw/zinc/65/26/39/548652639.db2.gz VKEXYMBFCHIJBV-UHFFFAOYSA-N 0 3 355.442 2.005 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000245438953 548920342 /nfs/dbraw/zinc/92/03/42/548920342.db2.gz YWOOGNCSWMBOFN-QUCCMNQESA-N 0 3 359.514 2.127 10 0 FEAEHN C[C@@H]1CN(C[C@H](O)CO[C@H]2CCCc3ccccc32)C[C@@H]1N1CCOCC1 ZINC000246169151 549068408 /nfs/dbraw/zinc/06/84/08/549068408.db2.gz ROJXYANVYUNTDR-HQMSXXKGSA-N 0 3 374.525 2.094 10 0 FEAEHN CCn1cnnc1[C@H]1CCCN(C[C@@H](O)COCc2cccc(OC)c2)C1 ZINC000246190606 549072860 /nfs/dbraw/zinc/07/28/60/549072860.db2.gz KSRVIUAWBCEFPP-ZWKOTPCHSA-N 0 3 374.485 2.064 10 0 FEAEHN COc1ccc(CN2CCN(C[C@H](C)O)[C@H](C)C2)cc1Br ZINC000246209186 549077784 /nfs/dbraw/zinc/07/77/84/549077784.db2.gz AHDXVBQPGAUXGG-OLZOCXBDSA-N 0 3 357.292 2.345 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2OC(F)(F)F)C1 ZINC000246302963 549101119 /nfs/dbraw/zinc/10/11/19/549101119.db2.gz DEVJMLLZIVCGLZ-WCQYABFASA-N 0 3 373.375 2.369 10 0 FEAEHN C[C@H]1CN(CC(=O)N(Cc2ccccc2)C(C)(C)C)C[C@H]1N1CCOCC1 ZINC000246397282 549124731 /nfs/dbraw/zinc/12/47/31/549124731.db2.gz JFXILVPERXMQMH-AZUAARDMSA-N 0 3 373.541 2.466 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2N(C)C)C1 ZINC000246478200 549141859 /nfs/dbraw/zinc/14/18/59/549141859.db2.gz QMXBIEQILDLYMI-IUODEOHRSA-N 0 3 366.893 2.189 10 0 FEAEHN CC(C)CNC(=O)c1cccc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000246614046 549174959 /nfs/dbraw/zinc/17/49/59/549174959.db2.gz YHLLNCFCVNFSHY-FXAWDEMLSA-N 0 3 359.514 2.225 10 0 FEAEHN O=C(CN1CCN2CCC[C@H]2C1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000246766911 549207867 /nfs/dbraw/zinc/20/78/67/549207867.db2.gz YLBDCYZGYKSUHC-LBPRGKRZSA-N 0 3 367.375 2.300 10 0 FEAEHN COCCN1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C[C@H]1C ZINC000246989582 549258471 /nfs/dbraw/zinc/25/84/71/549258471.db2.gz GBVVMTJIWUUBGS-QUCCMNQESA-N 0 3 374.529 2.013 10 0 FEAEHN CCOc1ccc(OC[C@@H](O)CN2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000247019158 549266995 /nfs/dbraw/zinc/26/69/95/549266995.db2.gz LSEXLIGOHVMKOW-ROUUACIJSA-N 0 3 359.470 2.495 10 0 FEAEHN O=C1[C@H](N2CCN3CCC[C@H]3C2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000247026491 549268040 /nfs/dbraw/zinc/26/80/40/549268040.db2.gz QVXGVQGUIAKLAX-GOEBONIOSA-N 0 3 369.387 2.471 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCCN(Cc3cscn3)CC2)C1 ZINC000247076549 549279403 /nfs/dbraw/zinc/27/94/03/549279403.db2.gz JARCEMBVCPBRHE-DOTOQJQBSA-N 0 3 365.547 2.089 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000247157602 549292798 /nfs/dbraw/zinc/29/27/98/549292798.db2.gz QHPDMGCKLRWVLG-GJZGRUSLSA-N 0 3 362.451 2.040 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000247178699 549294903 /nfs/dbraw/zinc/29/49/03/549294903.db2.gz KYGYGIMFWBPENW-HHXXYDBFSA-N 0 3 373.472 2.373 10 0 FEAEHN COc1ccccc1CNC(=O)[C@@H](C)N1CCC[C@H]1Cn1ccnc1C ZINC000247218459 549301215 /nfs/dbraw/zinc/30/12/15/549301215.db2.gz YIMDJPHQCIDTDY-QAPCUYQASA-N 0 3 356.470 2.369 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H](c2ccccc2F)N2CCOCC2)C1 ZINC000247331616 549319755 /nfs/dbraw/zinc/31/97/55/549319755.db2.gz NAAIKEAUUYRQIX-MNEFBYGVSA-N 0 3 363.477 2.044 10 0 FEAEHN C[C@H](O)CN1CCN(Cc2ccc(I)cc2)C[C@@H]1C ZINC000247345557 549322626 /nfs/dbraw/zinc/32/26/26/549322626.db2.gz GIPAHVLTKKBWTI-STQMWFEESA-N 0 3 374.266 2.178 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)C1 ZINC000247659417 549369698 /nfs/dbraw/zinc/36/96/98/549369698.db2.gz PWPAFRWGLFLMGJ-MLGOLLRUSA-N 0 3 371.478 2.221 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN([C@H](C)C(=O)N(C)C(C)C)C1 ZINC000248661772 549479584 /nfs/dbraw/zinc/47/95/84/549479584.db2.gz XNRWEPLJBWXZCV-CVEARBPZSA-N 0 3 352.548 2.461 10 0 FEAEHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000249034039 549540510 /nfs/dbraw/zinc/54/05/10/549540510.db2.gz TUKXJOJHFDHFCH-ROUUACIJSA-N 0 3 370.501 2.049 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1-c1ncco1 ZINC000249178849 549566214 /nfs/dbraw/zinc/56/62/14/549566214.db2.gz MRWBFDNYQMARDS-ZBFHGGJFSA-N 0 3 368.437 2.284 10 0 FEAEHN Cc1noc(-c2ccccc2)c1NC(=O)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000249190198 549566776 /nfs/dbraw/zinc/56/67/76/549566776.db2.gz PDFYZCVWGZUHLX-CJNGLKHVSA-N 0 3 368.437 2.284 10 0 FEAEHN O[C@@H](COCc1ccccc1Cl)CN1CCC[C@@H](n2cncn2)C1 ZINC000252692300 549677382 /nfs/dbraw/zinc/67/73/82/549677382.db2.gz UFSNEGYEUPMFQJ-HZPDHXFCSA-N 0 3 350.850 2.146 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000262705789 549841418 /nfs/dbraw/zinc/84/14/18/549841418.db2.gz MCJPSHAEFHPBKB-LEWSCRJBSA-N 0 3 373.375 2.180 10 0 FEAEHN Cc1ccc(-c2nc([C@@H]3CNCCN3C)no2)cc1NC(=O)c1ccco1 ZINC000263138987 549880914 /nfs/dbraw/zinc/88/09/14/549880914.db2.gz CFSUXDKSHMOXHL-HNNXBMFYSA-N 0 3 367.409 2.466 10 0 FEAEHN COc1ccc(-c2cncc(-c3nc([C@@H]4CNCCN4C)no3)c2)cc1 ZINC000263218284 549886275 /nfs/dbraw/zinc/88/62/75/549886275.db2.gz LHERMMMHASBBIQ-KRWDZBQOSA-N 0 3 351.410 2.383 10 0 FEAEHN CC(=O)Nc1ccc(S[C@H](C)c2nc([C@@H]3CNCCN3C)no2)cc1 ZINC000263239879 549888566 /nfs/dbraw/zinc/88/85/66/549888566.db2.gz OLZZTMYNARJOHD-ABAIWWIYSA-N 0 3 361.471 2.457 10 0 FEAEHN COc1cc2c(c(CNC[C@@H]3CCc4c(C(N)=O)cnn4C3)c1)O[C@@H](C)C2 ZINC000328627094 553798485 /nfs/dbraw/zinc/79/84/85/553798485.db2.gz FVEOKXGIFSRGQR-STQMWFEESA-N 0 3 370.453 2.451 10 0 FEAEHN CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(C[C@@H](O)c2ccccc2)CC1 ZINC000328641138 553800781 /nfs/dbraw/zinc/80/07/81/553800781.db2.gz QJQBUJKLLYXTLB-NHCUHLMSSA-N 0 3 368.481 2.413 10 0 FEAEHN CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(C[C@H](O)c2ccccc2)CC1 ZINC000328641140 553800844 /nfs/dbraw/zinc/80/08/44/553800844.db2.gz QJQBUJKLLYXTLB-RTWAWAEBSA-N 0 3 368.481 2.413 10 0 FEAEHN CN(C)C[C@H](NC(=O)C[C@@H](NC(N)=O)c1cccs1)c1ccccc1 ZINC000041999745 670154756 /nfs/dbraw/zinc/15/47/56/670154756.db2.gz PKILQUORKVXMPP-CABCVRRESA-N 0 3 360.483 2.267 10 0 FEAEHN C[C@H](O)C1CCN(Cn2nc(Br)c(=O)c3ccccc32)CC1 ZINC000124197235 671992837 /nfs/dbraw/zinc/99/28/37/671992837.db2.gz LJUCBTLGRHDGPU-NSHDSACASA-N 0 3 366.259 2.209 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NCC(=O)OCc2ccccc2Cl)C1 ZINC000126823495 672029271 /nfs/dbraw/zinc/02/92/71/672029271.db2.gz TZKCQYIPUXDYFQ-AWEZNQCLSA-N 0 3 353.850 2.167 10 0 FEAEHN CN(C)CCN1C(=O)CC[C@@H]2CN(C(=O)/C=C\c3cccs3)CC[C@@H]21 ZINC000229823180 672798071 /nfs/dbraw/zinc/79/80/71/672798071.db2.gz HTLQOIPOPNIZBV-AKTONZINSA-N 0 3 361.511 2.162 10 0 FEAEHN Cc1cc(Br)cc(CN2CCN(C[C@H](C)O)[C@H](C)C2)c1O ZINC000245649841 672822585 /nfs/dbraw/zinc/82/25/85/672822585.db2.gz HARIYFSDOMFFLX-OLZOCXBDSA-N 0 3 357.292 2.350 10 0 FEAEHN CC(C)CNC(=O)[C@H](C)N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248612549 672858729 /nfs/dbraw/zinc/85/87/29/672858729.db2.gz QSZDXNVYBZRYCF-CAOSSQGBSA-N 0 3 353.507 2.382 10 0 FEAEHN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNCc2cc(F)c(F)c(F)c2)C1 ZINC000702761127 673058764 /nfs/dbraw/zinc/05/87/64/673058764.db2.gz ANKLIVZZDBXDKT-RISCZKNCSA-N 0 3 360.376 2.421 10 0 FEAEHN N[C@H]1CCCCN(Cc2nc(COc3ccc(Cl)cc3)no2)C1=O ZINC000888078221 688545225 /nfs/dbraw/zinc/54/52/25/688545225.db2.gz AJYWXPALAPTFEV-ZDUSSCGKSA-N 0 3 350.806 2.142 10 0 FEAEHN CCC(=O)Nc1ccc(N(C)C)c(CN(CCN(C)C)C(=O)C2CC2)c1 ZINC000006695918 539434954 /nfs/dbraw/zinc/43/49/54/539434954.db2.gz WSTFFAAVRYKXLT-UHFFFAOYSA-N 0 3 360.502 2.401 10 0 FEAEHN C[C@H](NC(=O)N[C@H](CN(C)C)c1ccccc1)c1nnc2ccccn21 ZINC000045185234 540206368 /nfs/dbraw/zinc/20/63/68/540206368.db2.gz HVOBLXQEZXDROL-GOEBONIOSA-N 0 3 352.442 2.392 10 0 FEAEHN C[C@@H](NC(=O)N[C@@H](CN(C)C)c1ccccc1)c1nnc2ccccn21 ZINC000045185233 540206031 /nfs/dbraw/zinc/20/60/31/540206031.db2.gz HVOBLXQEZXDROL-ZBFHGGJFSA-N 0 3 352.442 2.392 10 0 FEAEHN CCN(CC)C(=O)c1ccc(CNC(=O)N[C@H]2CCCN(CC)C2)cc1 ZINC000052523941 540470936 /nfs/dbraw/zinc/47/09/36/540470936.db2.gz MDSJPYXRIXPBDW-SFHVURJKSA-N 0 3 360.502 2.452 10 0 FEAEHN COC(=O)c1cc(CN(C)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)oc1C ZINC000247383683 549327060 /nfs/dbraw/zinc/32/70/60/549327060.db2.gz PYUXAHWAXBIMKD-WBMJQRKESA-N 0 3 351.447 2.245 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)C1 ZINC000067408134 541459118 /nfs/dbraw/zinc/45/91/18/541459118.db2.gz CZWHCSNWIDVPHC-IBGZPJMESA-N 0 3 372.513 2.383 10 0 FEAEHN Cc1cc(C(=O)N2CCC[C@H](N(C)CCc3ccccc3)C2)nc(N)n1 ZINC000012574584 220009689 /nfs/dbraw/zinc/00/96/89/220009689.db2.gz PNUWXJIJDJCWKS-KRWDZBQOSA-N 0 3 353.470 2.146 10 0 FEAEHN CCN1CCN(CCC(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000075262883 542164248 /nfs/dbraw/zinc/16/42/48/542164248.db2.gz BBJZCIPLDCPTKL-QGZVFWFLSA-N 0 3 355.486 2.077 10 0 FEAEHN Cn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCCN1CCCC1 ZINC000021529843 220359335 /nfs/dbraw/zinc/35/93/35/220359335.db2.gz QUSUFGZHDCEBHP-UHFFFAOYSA-N 0 3 372.444 2.270 10 0 FEAEHN O[C@]1(c2ccccc2)CCN(c2ncnc3sc4c(c32)CCNC4)C1 ZINC000065407149 221214398 /nfs/dbraw/zinc/21/43/98/221214398.db2.gz QJTRVMVDNJCOFH-LJQANCHMSA-N 0 3 352.463 2.435 10 0 FEAEHN CCO[C@H]1C[C@@H](N(C)Cc2cnc(N3CCN(C)CC3)nc2)C12CCCC2 ZINC000093611075 542934859 /nfs/dbraw/zinc/93/48/59/542934859.db2.gz JHISWRISRCVXNL-MOPGFXCFSA-N 0 3 373.545 2.398 10 0 FEAEHN CCn1cnnc1[C@H]1CCCN(CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000101587075 543035717 /nfs/dbraw/zinc/03/57/17/543035717.db2.gz YHOOTBBMEMIPRL-AWEZNQCLSA-N 0 3 371.441 2.235 10 0 FEAEHN CCCC(=O)N[C@H]1CCCN(C[C@H](O)Cn2cnc3cc(C)c(C)cc32)C1 ZINC000101563242 543033506 /nfs/dbraw/zinc/03/35/06/543033506.db2.gz YENKCSGOZAWFRR-ROUUACIJSA-N 0 3 372.513 2.395 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000105148641 543161901 /nfs/dbraw/zinc/16/19/01/543161901.db2.gz POXFRRIRDPNWBP-DLBZAZTESA-N 0 3 360.502 2.347 10 0 FEAEHN Cc1ccc(OC[C@@H](O)CN(C)[C@@H]2CCCN(c3cccnn3)C2)c(C)c1 ZINC000106075013 543189751 /nfs/dbraw/zinc/18/97/51/543189751.db2.gz MCHBGKZZUKZFQV-MOPGFXCFSA-N 0 3 370.497 2.434 10 0 FEAEHN Cc1ccccc1OC[C@H](O)CN(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106075202 543189871 /nfs/dbraw/zinc/18/98/71/543189871.db2.gz SSOLVJMDQILDKH-QZTJIDSGSA-N 0 3 356.470 2.126 10 0 FEAEHN CCOc1ccc(OC[C@@H](O)CN2CCC(Nc3cccnn3)CC2)cc1 ZINC000106080115 543191561 /nfs/dbraw/zinc/19/15/61/543191561.db2.gz KNGFUIJZQAYXJE-KRWDZBQOSA-N 0 3 372.469 2.192 10 0 FEAEHN Cc1cccc(C)c1OC[C@@H](O)CN1CCC(N(C)c2cccnn2)CC1 ZINC000106084014 543192848 /nfs/dbraw/zinc/19/28/48/543192848.db2.gz BBXVPBHHHRHIPX-IBGZPJMESA-N 0 3 370.497 2.434 10 0 FEAEHN Cc1nc(CN2CCCN(Cc3ccc(-n4ccnc4)cc3)CC2)no1 ZINC000106147884 543208467 /nfs/dbraw/zinc/20/84/67/543208467.db2.gz NPSVVSVOZAYLRM-UHFFFAOYSA-N 0 3 352.442 2.272 10 0 FEAEHN C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000106175375 543212454 /nfs/dbraw/zinc/21/24/54/543212454.db2.gz PITVGYIZAZGJKK-RDJZCZTQSA-N 0 3 359.449 2.176 10 0 FEAEHN CC(C)N(Cc1ccccc1)C(=O)CN1CCC[C@@H](Cn2cncn2)C1 ZINC000106174828 543212663 /nfs/dbraw/zinc/21/26/63/543212663.db2.gz JZJXLXUZQLWXSS-LJQANCHMSA-N 0 3 355.486 2.427 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)C1 ZINC000111882446 543423099 /nfs/dbraw/zinc/42/30/99/543423099.db2.gz GLZAFLUFDPRAJJ-GJZGRUSLSA-N 0 3 366.456 2.275 10 0 FEAEHN COc1cc(-c2nc(CN3CCO[C@@H](CN(C)C)C3)cs2)ccc1O ZINC000112345771 543442781 /nfs/dbraw/zinc/44/27/81/543442781.db2.gz JQEPDDPYQZIHDD-HNNXBMFYSA-N 0 3 363.483 2.287 10 0 FEAEHN C[C@H](NC(=O)N(C)C1CCN(CCn2cccn2)CC1)c1cccc(O)c1 ZINC000112459312 543447246 /nfs/dbraw/zinc/44/72/46/543447246.db2.gz JYPPDXPPVFXQAB-INIZCTEOSA-N 0 3 371.485 2.456 10 0 FEAEHN CC(C)Cn1nc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)c2ccccc2c1=O ZINC000113226780 543477866 /nfs/dbraw/zinc/47/78/66/543477866.db2.gz BTJHBUJLYIXIEU-HZPDHXFCSA-N 0 3 368.481 2.361 10 0 FEAEHN Cc1cccc(CC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)c1 ZINC000114414319 543514553 /nfs/dbraw/zinc/51/45/53/543514553.db2.gz HFBPXXFMHWLQJG-UHFFFAOYSA-N 0 3 352.482 2.343 10 0 FEAEHN Cc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C)[C@H](N(C)C)C1 ZINC000124009945 543796222 /nfs/dbraw/zinc/79/62/22/543796222.db2.gz SHQLYTWZMVGMTE-DGCLKSJQSA-N 0 3 361.305 2.328 10 0 FEAEHN CN(C)C[C@@H]1CN(CCC(=O)Nc2cccc(Br)c2)CCO1 ZINC000124658766 543835540 /nfs/dbraw/zinc/83/55/40/543835540.db2.gz WBOAMJNVLNJSJW-OAHLLOKOSA-N 0 3 370.291 2.040 10 0 FEAEHN COc1ccc(OCc2ccccn2)c(CN2CCO[C@H](CN(C)C)C2)c1 ZINC000128195515 544038294 /nfs/dbraw/zinc/03/82/94/544038294.db2.gz LRKPGMLZWZJDHC-HXUWFJFHSA-N 0 3 371.481 2.432 10 0 FEAEHN CCC[C@@H](C(=O)N(C)C[C@H](c1cccs1)N1CCOCC1)N(C)C ZINC000130972826 544172659 /nfs/dbraw/zinc/17/26/59/544172659.db2.gz DLWOWQAOSYYFLS-JKSUJKDBSA-N 0 3 353.532 2.310 10 0 FEAEHN C[NH2+]C1CCN(Cc2ccc(-c3nc([C@H]4CCCO4)cc(=O)[n-]3)cc2)CC1 ZINC000096879107 222136405 /nfs/dbraw/zinc/13/64/05/222136405.db2.gz VTASJMFNERXJJZ-LJQANCHMSA-N 0 3 368.481 2.472 10 0 FEAEHN CCC[C@H](C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1)N(C)C ZINC000134902563 544326378 /nfs/dbraw/zinc/32/63/78/544326378.db2.gz IDOLXQXWEJDZRD-MRXNPFEDSA-N 0 3 351.878 2.355 10 0 FEAEHN CC[C@H](O)CN1CCN(CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000137506372 544391227 /nfs/dbraw/zinc/39/12/27/544391227.db2.gz TVHNAOASLZKPQU-AWEZNQCLSA-N 0 3 373.419 2.423 10 0 FEAEHN OCCNCCOc1ncc(F)cc1-c1csc(C(F)(F)F)n1 ZINC000147175685 544445001 /nfs/dbraw/zinc/44/50/01/544445001.db2.gz MYRHQIIOVDEKIS-UHFFFAOYSA-N 0 3 351.325 2.324 10 0 FEAEHN CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000150804063 544474077 /nfs/dbraw/zinc/47/40/77/544474077.db2.gz MQVOQNZEUYZWKL-WFASDCNBSA-N 0 3 351.422 2.008 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1 ZINC000150869464 544481265 /nfs/dbraw/zinc/48/12/65/544481265.db2.gz MEYDHVUCYYYMFS-HNNXBMFYSA-N 0 3 371.478 2.318 10 0 FEAEHN Cc1cncc(/C=C/C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)c1 ZINC000151702910 544571258 /nfs/dbraw/zinc/57/12/58/544571258.db2.gz LCNBSUULGOUOKG-FNORWQNLSA-N 0 3 365.481 2.209 10 0 FEAEHN COCCN1CCN(C[C@H](O)Cc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000152942130 544713910 /nfs/dbraw/zinc/71/39/10/544713910.db2.gz CRKVUKXACMXLEW-GOEBONIOSA-N 0 3 360.420 2.261 10 0 FEAEHN C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCn3ncnc32)CN1Cc1ccccc1 ZINC000153338359 544763229 /nfs/dbraw/zinc/76/32/29/544763229.db2.gz JNMLLBLYFFFWJW-DJIMGWMZSA-N 0 3 354.458 2.075 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(-c3ncco3)cc2)[C@@H](C)C1 ZINC000153928804 544841213 /nfs/dbraw/zinc/84/12/13/544841213.db2.gz YBCIAAPZMXBVAL-BBRMVZONSA-N 0 3 356.426 2.125 10 0 FEAEHN C[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000154806467 544951830 /nfs/dbraw/zinc/95/18/30/544951830.db2.gz IMXNXOJAFRQFRZ-QGZVFWFLSA-N 0 3 373.497 2.047 10 0 FEAEHN COC(=O)[C@H](c1ccccc1)N(C)C1CCN(CCn2cccn2)CC1 ZINC000155110826 544990491 /nfs/dbraw/zinc/99/04/91/544990491.db2.gz SUZJWNUZNLJIFQ-IBGZPJMESA-N 0 3 356.470 2.194 10 0 FEAEHN CC(C)c1nnc2n1C[C@@H](NC(=O)NCC(C)(C)N1CCCCC1)CC2 ZINC000181396325 327728390 /nfs/dbraw/zinc/72/83/90/327728390.db2.gz XFSHNYJYKUZIKI-HNNXBMFYSA-N 0 3 362.522 2.280 10 0 FEAEHN Cc1nn(C(C)(C)C)cc1C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000182414044 327774414 /nfs/dbraw/zinc/77/44/14/327774414.db2.gz GGPLNKNPVZWZGM-UHFFFAOYSA-N 0 3 372.517 2.380 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)CCc2cc(F)ccc2Br)CCO1 ZINC000182444597 327775887 /nfs/dbraw/zinc/77/58/87/327775887.db2.gz CAKKXGYRCMMXKS-CQSZACIVSA-N 0 3 373.266 2.310 10 0 FEAEHN C[C@@H](NCC(=O)Nc1cccc(I)c1)[C@H]1CCCO1 ZINC000183126768 327802857 /nfs/dbraw/zinc/80/28/57/327802857.db2.gz CZMKZEBCKWDXFH-ZWNOBZJWSA-N 0 3 374.222 2.387 10 0 FEAEHN Cc1ccc(CC(=O)N2CCO[C@H](CN(C)C)C2)cc1Br ZINC000188036211 328061904 /nfs/dbraw/zinc/06/19/04/328061904.db2.gz HDFREYPNYWNVAA-CQSZACIVSA-N 0 3 355.276 2.089 10 0 FEAEHN C[C@H]1C[C@H](NC(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)CN1C1CC1 ZINC000188337622 328081345 /nfs/dbraw/zinc/08/13/45/328081345.db2.gz IONAYHHPOHCZII-PWNZVWSESA-N 0 3 355.454 2.075 10 0 FEAEHN O=C(NC1CN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1)C1CCC1 ZINC000188562981 328095477 /nfs/dbraw/zinc/09/54/77/328095477.db2.gz BQRMLCGDWHZFEL-KRWDZBQOSA-N 0 3 373.472 2.165 10 0 FEAEHN C[C@@H](NC(C)(C)CNC(=O)N1CC(NC(=O)C2CCC2)C1)c1ccccc1 ZINC000188853511 328114207 /nfs/dbraw/zinc/11/42/07/328114207.db2.gz YIJTYQZOJSIXDM-OAHLLOKOSA-N 0 3 372.513 2.426 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)CCO1 ZINC000189039273 328125002 /nfs/dbraw/zinc/12/50/02/328125002.db2.gz LMGFVAIYWYSEGC-LSDHHAIUSA-N 0 3 359.392 2.305 10 0 FEAEHN Cc1ccc(-c2ncccc2NC(=O)C(=O)N2CC[C@H](N(C)C)C2)s1 ZINC000189463691 328149941 /nfs/dbraw/zinc/14/99/41/328149941.db2.gz CUOASACUWLWUGC-ZDUSSCGKSA-N 0 3 358.467 2.220 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000190345922 328201671 /nfs/dbraw/zinc/20/16/71/328201671.db2.gz ZEGUUJJTXMYSSE-DLBZAZTESA-N 0 3 354.454 2.202 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000190492526 328211101 /nfs/dbraw/zinc/21/11/01/328211101.db2.gz ZMHZGYXLCOJXGU-MRXNPFEDSA-N 0 3 367.453 2.166 10 0 FEAEHN CN(C)C[C@H]1CN([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CCO1 ZINC000190528015 328214010 /nfs/dbraw/zinc/21/40/10/328214010.db2.gz ZZLVZYWNUVZCRE-XJKSGUPXSA-N 0 3 372.296 2.361 10 0 FEAEHN Cc1nnsc1C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000190550235 328215651 /nfs/dbraw/zinc/21/56/51/328215651.db2.gz DZZNASQUDHKBSR-INIZCTEOSA-N 0 3 360.483 2.022 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2cnn3c2CCCC3)C1 ZINC000190582390 328217716 /nfs/dbraw/zinc/21/77/16/328217716.db2.gz UIMIFDHNODWJFT-QGZVFWFLSA-N 0 3 353.470 2.209 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)CCCNC(=O)C(C)(C)C)C1 ZINC000190601312 328218858 /nfs/dbraw/zinc/21/88/58/328218858.db2.gz DJBMQPUTFSNUQN-SFHVURJKSA-N 0 3 374.529 2.304 10 0 FEAEHN Cc1nn(C)cc1[C@H](C)NC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190715683 328226994 /nfs/dbraw/zinc/22/69/94/328226994.db2.gz KXDLVNABNUCYGE-YJBOKZPZSA-N 0 3 370.501 2.348 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)NCCN2CCc3c(Cl)cccc3C2)C1 ZINC000190899444 328239110 /nfs/dbraw/zinc/23/91/10/328239110.db2.gz IQLIYGFNAKTFAR-HNNXBMFYSA-N 0 3 350.894 2.044 10 0 FEAEHN Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H](CC(C)C)CN(C)C)C2=O)cc1 ZINC000191119398 328250772 /nfs/dbraw/zinc/25/07/72/328250772.db2.gz FKNFCVIFTREREX-RBUKOAKNSA-N 0 3 374.529 2.371 10 0 FEAEHN CN(C(=O)CN[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1nccs1 ZINC000191915436 328288727 /nfs/dbraw/zinc/28/87/27/328288727.db2.gz KEOQJDDYMPVZPB-OLZOCXBDSA-N 0 3 368.503 2.389 10 0 FEAEHN CN(CC(=O)OC(C)(C)C)C1CCN(Cc2cccc(C(N)=O)c2)CC1 ZINC000191980718 328291636 /nfs/dbraw/zinc/29/16/36/328291636.db2.gz BXCLFTRAYODZFQ-UHFFFAOYSA-N 0 3 361.486 2.023 10 0 FEAEHN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000192081246 328298740 /nfs/dbraw/zinc/29/87/40/328298740.db2.gz NNSMSRWFADPDBG-SNVBAGLBSA-N 0 3 372.252 2.247 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1nc(C(C)C)cs1 ZINC000193415081 328374085 /nfs/dbraw/zinc/37/40/85/328374085.db2.gz SZLAQTFKDXAMRG-CHWSQXEVSA-N 0 3 350.488 2.290 10 0 FEAEHN CCCCOC[C@@H](O)CN1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000193375528 328371724 /nfs/dbraw/zinc/37/17/24/328371724.db2.gz GAKOTPZJLCWVPA-INIZCTEOSA-N 0 3 354.516 2.428 10 0 FEAEHN CCCCOC[C@H](O)CN1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000193383496 328371923 /nfs/dbraw/zinc/37/19/23/328371923.db2.gz BMFGISZUMIZNRF-LJQANCHMSA-N 0 3 366.477 2.080 10 0 FEAEHN CN(C)C[C@@H](NC(=O)c1ccc(=O)n(-c2ccccc2)n1)c1ccccc1 ZINC000024757801 324412627 /nfs/dbraw/zinc/41/26/27/324412627.db2.gz CLHIFINXLZQQDR-LJQANCHMSA-N 0 3 362.433 2.265 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)NCCc1ccc(I)s1 ZINC000236974441 328500006 /nfs/dbraw/zinc/50/00/06/328500006.db2.gz CNYCVPIAZAGCCK-LDYMZIIASA-N 0 3 366.268 2.385 10 0 FEAEHN O=C(CC1CCN(C[C@@H](O)COCc2ccccc2)CC1)N1CCCC1 ZINC000078484467 325047925 /nfs/dbraw/zinc/04/79/25/325047925.db2.gz HYWCLUHDEKXRBY-HXUWFJFHSA-N 0 3 360.498 2.289 10 0 FEAEHN CCn1ccnc1CS(=O)(=O)C(C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000083066857 325212945 /nfs/dbraw/zinc/21/29/45/325212945.db2.gz OKENFWFCGBHOHF-QWHCGFSZSA-N 0 3 367.446 2.223 10 0 FEAEHN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000083722037 325223536 /nfs/dbraw/zinc/22/35/36/325223536.db2.gz CHSCKZWWAZKBIH-PBHICJAKSA-N 0 3 356.474 2.241 10 0 FEAEHN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000083742663 325224009 /nfs/dbraw/zinc/22/40/09/325224009.db2.gz JSRVHKJVFBQELM-BDVYOWHSSA-N 0 3 360.506 2.327 10 0 FEAEHN CC(C)(C)OC(=O)N[C@H]1CCN(C[C@H](O)COCc2ccccc2)C1 ZINC000084963618 325247702 /nfs/dbraw/zinc/24/77/02/325247702.db2.gz XCVLNBPHZVVWBY-IRXDYDNUSA-N 0 3 350.459 2.163 10 0 FEAEHN C[C@H](NC(=O)N(C)CC1CCN(C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000103505971 325523187 /nfs/dbraw/zinc/52/31/87/325523187.db2.gz GXZOZHDONIUBQE-AWEZNQCLSA-N 0 3 367.515 2.134 10 0 FEAEHN COc1ccc(Br)cc1CNC[C@@H]1CN(C2CC2)CCO1 ZINC000106380257 325595863 /nfs/dbraw/zinc/59/58/63/325595863.db2.gz ISJMLZFKLXMVQM-OAHLLOKOSA-N 0 3 355.276 2.411 10 0 FEAEHN COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)NCCn2cc(C)cn2)c1 ZINC000112552228 325790815 /nfs/dbraw/zinc/79/08/15/325790815.db2.gz COLBSWSVBUEHQL-CABCVRRESA-N 0 3 360.458 2.064 10 0 FEAEHN COc1ccc(F)cc1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000114415010 325891016 /nfs/dbraw/zinc/89/10/16/325891016.db2.gz QSVMWMWVIYWEHX-UHFFFAOYSA-N 0 3 372.444 2.253 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccccc2Cl)CCO1 ZINC000116783228 326034909 /nfs/dbraw/zinc/03/49/09/326034909.db2.gz AJSSRZRVSACFTD-CYBMUJFWSA-N 0 3 362.861 2.143 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)C2(c3ccccc3Cl)CCOCC2)CCO1 ZINC000116797174 326036415 /nfs/dbraw/zinc/03/64/15/326036415.db2.gz OYWSMOVOWUYQFP-OAHLLOKOSA-N 0 3 366.889 2.177 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)CCO1 ZINC000116795706 326036422 /nfs/dbraw/zinc/03/64/22/326036422.db2.gz XSGQKDHFQCPTIS-OAHLLOKOSA-N 0 3 367.287 2.270 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NCc2cc(F)cc(Br)c2)CCO1 ZINC000117037071 326048394 /nfs/dbraw/zinc/04/83/94/326048394.db2.gz BQCRGMSXGJMMDU-CQSZACIVSA-N 0 3 374.254 2.060 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)CCO1 ZINC000118798573 326103021 /nfs/dbraw/zinc/10/30/21/326103021.db2.gz VTKYNPUXTAOBRO-INIZCTEOSA-N 0 3 372.425 2.326 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)CCO1 ZINC000118798571 326103215 /nfs/dbraw/zinc/10/32/15/326103215.db2.gz VTKYNPUXTAOBRO-MRXNPFEDSA-N 0 3 372.425 2.326 10 0 FEAEHN CC(C)(C)[C@H](N)C(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000119139263 326130856 /nfs/dbraw/zinc/13/08/56/326130856.db2.gz RLYNIMOPEYOJFX-GOSISDBHSA-N 0 3 356.470 2.359 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000119202069 326136870 /nfs/dbraw/zinc/13/68/70/326136870.db2.gz KHLXGZRFFOCLQJ-NEPJUHHUSA-N 0 3 358.408 2.476 10 0 FEAEHN CC(=O)N(C)C1CCN(C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000119809537 326200811 /nfs/dbraw/zinc/20/08/11/326200811.db2.gz YIUIWAHQFOZQGY-GOSISDBHSA-N 0 3 354.878 2.160 10 0 FEAEHN COC(=O)[C@H](C)Oc1ccc(CN2CCC(Nc3cccnn3)CC2)cc1 ZINC000120328449 326249970 /nfs/dbraw/zinc/24/99/70/326249970.db2.gz IBDGZUDYLJTXCN-HNNXBMFYSA-N 0 3 370.453 2.493 10 0 FEAEHN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCO[C@@H](CN(C)C)C1 ZINC000246094671 328589414 /nfs/dbraw/zinc/58/94/14/328589414.db2.gz VQILUJDQZFOQKN-PBHICJAKSA-N 0 3 353.894 2.122 10 0 FEAEHN COCCOc1cccc(CN2CCCN(Cc3cnn(C)c3)CC2)c1 ZINC000121550525 326347314 /nfs/dbraw/zinc/34/73/14/326347314.db2.gz FUYBATYMRFGPCA-UHFFFAOYSA-N 0 3 358.486 2.153 10 0 FEAEHN CCn1ncc2ccc(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)cc21 ZINC000121664536 326356444 /nfs/dbraw/zinc/35/64/44/326356444.db2.gz YPBAUWIOBVYNDL-MRXNPFEDSA-N 0 3 359.474 2.087 10 0 FEAEHN CCC[C@@H](C(=O)N1CCN(Cc2cc(OC)cc(OC)c2)CC1)N(C)C ZINC000128462105 326524101 /nfs/dbraw/zinc/52/41/01/326524101.db2.gz POEUBNQRSZPQOB-IBGZPJMESA-N 0 3 363.502 2.078 10 0 FEAEHN COc1ccccc1N1CC[C@@H](N[C@H]2CCc3nc(C(C)C)nn3C2)C1=O ZINC000151080700 326674350 /nfs/dbraw/zinc/67/43/50/326674350.db2.gz HBRGVKKABJGNJS-LSDHHAIUSA-N 0 3 369.469 2.120 10 0 FEAEHN COCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cccc(CN(C)C)c1 ZINC000152449088 326707628 /nfs/dbraw/zinc/70/76/28/326707628.db2.gz FIWPIGYZFRKQNT-OAHLLOKOSA-N 0 3 358.446 2.143 10 0 FEAEHN CN(C)[C@@H](CNC(=O)N1CCC(Nc2cccnn2)CC1)c1ccccc1 ZINC000152834031 326717590 /nfs/dbraw/zinc/71/75/90/326717590.db2.gz HEZOPWKFDVWGLD-SFHVURJKSA-N 0 3 368.485 2.365 10 0 FEAEHN CCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C1 ZINC000153073055 326723337 /nfs/dbraw/zinc/72/33/37/326723337.db2.gz IZAAYFSDCPEMOA-OAHLLOKOSA-N 0 3 374.485 2.142 10 0 FEAEHN C[C@@H](C(=O)Nc1ccccc1Br)N1CCO[C@H](CN(C)C)C1 ZINC000155356163 326785993 /nfs/dbraw/zinc/78/59/93/326785993.db2.gz BWQUKAREVOBGIZ-QWHCGFSZSA-N 0 3 370.291 2.039 10 0 FEAEHN CN(C)C[C@@H]1CN(CCc2nc(-c3cccc(Cl)c3)no2)CCO1 ZINC000158005044 326881980 /nfs/dbraw/zinc/88/19/80/326881980.db2.gz JPQBIJOIRABYEC-OAHLLOKOSA-N 0 3 350.850 2.195 10 0 FEAEHN CN(C)CCOc1ccccc1CNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000158076261 326884174 /nfs/dbraw/zinc/88/41/74/326884174.db2.gz LNNDRICZWVOFOR-UHFFFAOYSA-N 0 3 371.485 2.439 10 0 FEAEHN CCc1nn(C)c(CC)c1CNC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000162032269 327015260 /nfs/dbraw/zinc/01/52/60/327015260.db2.gz JNPFGOVKQVDNJO-CQSZACIVSA-N 0 3 357.506 2.135 10 0 FEAEHN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N3CC[C@@H](N(C)C)C3)C2)c1 ZINC000170865265 327103614 /nfs/dbraw/zinc/10/36/14/327103614.db2.gz MQLKYGZQPDSLPB-IEBWSBKVSA-N 0 3 357.498 2.318 10 0 FEAEHN CN(C)C(=O)[C@H](c1ccccc1)N(C)C1CCN(CCn2cccn2)CC1 ZINC000170942358 327109062 /nfs/dbraw/zinc/10/90/62/327109062.db2.gz DJGYBDWFNWGMGS-FQEVSTJZSA-N 0 3 369.513 2.109 10 0 FEAEHN Cc1ccc(C(=O)N2CCC(NC(=O)N3CCN4CCC[C@@H]4C3)CC2)cc1 ZINC000171906866 327169595 /nfs/dbraw/zinc/16/95/95/327169595.db2.gz HEIDSPPJDQPECR-LJQANCHMSA-N 0 3 370.497 2.089 10 0 FEAEHN C[C@@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)c1ccc(Br)cc1 ZINC000172115392 327181703 /nfs/dbraw/zinc/18/17/03/327181703.db2.gz PJDSROJOFIGMSA-DOMZBBRYSA-N 0 3 370.291 2.482 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NCc2ccc(Oc3ccccc3)nc2)CCO1 ZINC000172131130 327182660 /nfs/dbraw/zinc/18/26/60/327182660.db2.gz GUCRVYCRFRONFU-GOSISDBHSA-N 0 3 370.453 2.346 10 0 FEAEHN CN(C)[C@H](CNC(=O)N1CCN2CCC[C@@H]2C1)c1c(F)cccc1F ZINC000172159571 327184779 /nfs/dbraw/zinc/18/47/79/327184779.db2.gz VTVYCDVCGPPYEP-CZUORRHYSA-N 0 3 352.429 2.057 10 0 FEAEHN O=C(CCCCCNC(=O)NC1CCCCC1)N1CCN2CCC[C@H]2C1 ZINC000172217348 327187725 /nfs/dbraw/zinc/18/77/25/327187725.db2.gz AOKWZTLKEMGRNZ-SFHVURJKSA-N 0 3 364.534 2.485 10 0 FEAEHN C[C@@H](c1ccc(NC(=O)N2CCN3CCC[C@@H]3C2)cc1)N1CCOCC1 ZINC000172250250 327190244 /nfs/dbraw/zinc/19/02/44/327190244.db2.gz ZPTDTWCTRODVLD-QFBILLFUSA-N 0 3 358.486 2.392 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)CCO1 ZINC000172306434 327194541 /nfs/dbraw/zinc/19/45/41/327194541.db2.gz SIMRKGPPQBIWJR-SFHVURJKSA-N 0 3 364.449 2.428 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)CCO1 ZINC000172306430 327194678 /nfs/dbraw/zinc/19/46/78/327194678.db2.gz SIMRKGPPQBIWJR-GOSISDBHSA-N 0 3 364.449 2.428 10 0 FEAEHN CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000172790141 327219193 /nfs/dbraw/zinc/21/91/93/327219193.db2.gz FFWWWDJKDNZFIF-QZTJIDSGSA-N 0 3 367.453 2.403 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)Cc3cc(F)ccc3F)CC2)nc1 ZINC000173459657 327258863 /nfs/dbraw/zinc/25/88/63/327258863.db2.gz FWJXYLVWHNZMPV-UHFFFAOYSA-N 0 3 374.435 2.313 10 0 FEAEHN CCN(CC)[C@@H](C(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1)c1ccccc1 ZINC000173514609 327262696 /nfs/dbraw/zinc/26/26/96/327262696.db2.gz CWFCIZLENPWBDK-IAGOWNOFSA-N 0 3 357.458 2.096 10 0 FEAEHN CCN(CC)[C@@H](C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1)c1ccccc1 ZINC000173514609 327262697 /nfs/dbraw/zinc/26/26/97/327262697.db2.gz CWFCIZLENPWBDK-IAGOWNOFSA-N 0 3 357.458 2.096 10 0 FEAEHN CC[NH+](CC)[C@@H](C(=O)N1CCO[C@@H](c2nnc(C)[n-]2)C1)c1ccccc1 ZINC000173514609 327262699 /nfs/dbraw/zinc/26/26/99/327262699.db2.gz CWFCIZLENPWBDK-IAGOWNOFSA-N 0 3 357.458 2.096 10 0 FEAEHN COc1cccc(-c2noc([C@H](C)NC(=O)N3CC[C@H](N(C)C)C3)n2)c1 ZINC000173520340 327263366 /nfs/dbraw/zinc/26/33/66/327263366.db2.gz TUQHXFXFAXEMLK-JSGCOSHPSA-N 0 3 359.430 2.152 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000173767587 327282738 /nfs/dbraw/zinc/28/27/38/327282738.db2.gz TYNBYCFVMWMOAU-WOJBJXKFSA-N 0 3 374.529 2.186 10 0 FEAEHN O=C(NCCCN1CCc2ccccc2C1)N1CCC[C@H](n2cncn2)C1 ZINC000173853370 327289051 /nfs/dbraw/zinc/28/90/51/327289051.db2.gz BGBSNUZXHFCYSU-IBGZPJMESA-N 0 3 368.485 2.073 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)CCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000174645116 327341226 /nfs/dbraw/zinc/34/12/26/327341226.db2.gz ILTSYXDYLHXMIY-LJQANCHMSA-N 0 3 358.530 2.108 10 0 FEAEHN Cc1ccc([C@H](CN[C@@H]2CCN(C(C)C)C2=O)N2CCOCC2)s1 ZINC000175197980 327379530 /nfs/dbraw/zinc/37/95/30/327379530.db2.gz DALQMMNAKGOANQ-CVEARBPZSA-N 0 3 351.516 2.029 10 0 FEAEHN C[C@H](CN[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)N1CCOCC1 ZINC000248768760 328739876 /nfs/dbraw/zinc/73/98/76/328739876.db2.gz XMXVLZRIZSZHKW-LZQZEXGQSA-N 0 3 367.921 2.022 10 0 FEAEHN CCCOc1ccc(C(=O)CCc2nc([C@@H]3CNCCN3C)no2)cc1 ZINC000263202387 328924645 /nfs/dbraw/zinc/92/46/45/328924645.db2.gz JGDDLQOELHTCFL-INIZCTEOSA-N 0 3 358.442 2.250 10 0 FEAEHN Cc1cc(C)n(Cc2ccc(-c3nc([C@H]4CNCCN4C)no3)cc2)n1 ZINC000263203138 328924656 /nfs/dbraw/zinc/92/46/56/328924656.db2.gz JIGCPQMTNWWTMQ-QGZVFWFLSA-N 0 3 352.442 2.174 10 0 FEAEHN Cc1cccc(C(=O)N[C@@H](c2nc([C@@H]3CNCCN3C)no2)C(C)C)c1 ZINC000263217809 328925986 /nfs/dbraw/zinc/92/59/86/328925986.db2.gz LEAZFBIREJRRRG-JKSUJKDBSA-N 0 3 357.458 2.081 10 0 FEAEHN COc1ccccc1/C=C/CN[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000275586692 330066877 /nfs/dbraw/zinc/06/68/77/330066877.db2.gz PJWIGSZJUIKXOF-ZGRWHYIRSA-N 0 3 354.454 2.061 10 0 FEAEHN CN(C)CCN1C[C@@H](C(=O)NCC2(c3ccccc3)CCCC2)CCC1=O ZINC000020323252 521771965 /nfs/dbraw/zinc/77/19/65/521771965.db2.gz PLPPSLNBXRCMCY-SFHVURJKSA-N 0 3 371.525 2.415 10 0 FEAEHN Cc1cc(C)cc(OCc2noc(CN3CCO[C@H](CN(C)C)C3)n2)c1 ZINC000155333881 545512783 /nfs/dbraw/zinc/51/27/83/545512783.db2.gz CZJOGZQVBGTPQF-QGZVFWFLSA-N 0 3 360.458 2.028 10 0 FEAEHN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000155772361 545568180 /nfs/dbraw/zinc/56/81/80/545568180.db2.gz QWQLOFNPEFLYAQ-YTQUADARSA-N 0 3 359.514 2.359 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)N1CCC[C@H]1C(=O)NC)c1ccsc1 ZINC000155811888 545572150 /nfs/dbraw/zinc/57/21/50/545572150.db2.gz RIQLNVQRMRNNNV-LSDHHAIUSA-N 0 3 352.504 2.051 10 0 FEAEHN Cc1cc(=O)oc2cc(OCCN3CCC[C@H](Cn4cncn4)C3)ccc12 ZINC000158067147 545819654 /nfs/dbraw/zinc/81/96/54/545819654.db2.gz OSCVCHASLOKYIO-INIZCTEOSA-N 0 3 368.437 2.484 10 0 FEAEHN COCCN1CCN(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000159107095 545923500 /nfs/dbraw/zinc/92/35/00/545923500.db2.gz CJLZUWLOHFTCBC-WMLDXEAASA-N 0 3 360.420 2.261 10 0 FEAEHN COc1ccc([C@@H](C)C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000159292033 545940584 /nfs/dbraw/zinc/94/05/84/545940584.db2.gz NHIVKSDSIUEYTK-UZLBHIALSA-N 0 3 368.477 2.334 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)NCCc2ccc(F)c(Br)c2)C1 ZINC000170832699 546179157 /nfs/dbraw/zinc/17/91/57/546179157.db2.gz OINVGBZKIJHTPZ-LBPRGKRZSA-N 0 3 358.255 2.476 10 0 FEAEHN COCCN(C)CCNC(=O)N[C@H](C)c1ccccc1Br ZINC000171191098 546194927 /nfs/dbraw/zinc/19/49/27/546194927.db2.gz NMUABGZPTJQLFQ-GFCCVEGCSA-N 0 3 358.280 2.388 10 0 FEAEHN CCCCS(=O)(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000175842886 546360803 /nfs/dbraw/zinc/36/08/03/546360803.db2.gz DWXWHUIMMHSKTH-IBGZPJMESA-N 0 3 368.543 2.494 10 0 FEAEHN CCCCO[C@@H]1C[C@@H](NC(=O)NC[C@H](O)CN2CCCCC2)C1(C)C ZINC000175915238 546370973 /nfs/dbraw/zinc/37/09/73/546370973.db2.gz HSJQYFSBJOEFOZ-GVDBMIGSSA-N 0 3 355.523 2.116 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000176257820 546425317 /nfs/dbraw/zinc/42/53/17/546425317.db2.gz ODPTUNROZVJBCU-MRXNPFEDSA-N 0 3 357.454 2.087 10 0 FEAEHN CCNC(=O)COc1ccc(NC(=O)N(C)C[C@@H]2CCCN2CC)cc1 ZINC000176289022 546427687 /nfs/dbraw/zinc/42/76/87/546427687.db2.gz VGDXEKGYEYNNOG-INIZCTEOSA-N 0 3 362.474 2.150 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000176365323 546436478 /nfs/dbraw/zinc/43/64/78/546436478.db2.gz KOKUNPZIYOJIIC-ZWKOTPCHSA-N 0 3 358.486 2.308 10 0 FEAEHN Cc1cc(O)cc(=O)n1CC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000176790965 546488833 /nfs/dbraw/zinc/48/88/33/546488833.db2.gz DLQBZQPMPCPECG-SFHVURJKSA-N 0 3 369.465 2.033 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(I)c[nH]1 ZINC000177014861 546524520 /nfs/dbraw/zinc/52/45/20/546524520.db2.gz AVYIMOVIYBCINR-NSHDSACASA-N 0 3 361.227 2.176 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1 ZINC000177034620 546527537 /nfs/dbraw/zinc/52/75/37/546527537.db2.gz NFJCWXHIXRFBSK-MOPGFXCFSA-N 0 3 357.498 2.429 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc(C(=O)N(C)C)cc1OC ZINC000177255144 546580472 /nfs/dbraw/zinc/58/04/72/546580472.db2.gz CKWWEVNHYMYRKS-HNNXBMFYSA-N 0 3 362.474 2.345 10 0 FEAEHN CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177689089 546667575 /nfs/dbraw/zinc/66/75/75/546667575.db2.gz XXIPBVHLAJTGKT-GFCCVEGCSA-N 0 3 353.875 2.307 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)[C@@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000177694630 546669252 /nfs/dbraw/zinc/66/92/52/546669252.db2.gz MROLKELBWLSWBS-UONOGXRCSA-N 0 3 350.438 2.278 10 0 FEAEHN O=C(CN1CCN2CCC[C@@H]2C1)NCc1cccc(OCC(F)(F)F)c1 ZINC000177713520 546672369 /nfs/dbraw/zinc/67/23/69/546672369.db2.gz PJRKOLYTGMPPTA-OAHLLOKOSA-N 0 3 371.403 2.024 10 0 FEAEHN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N2CCN3CCC[C@@H]3C2)c1 ZINC000178620134 546821583 /nfs/dbraw/zinc/82/15/83/546821583.db2.gz MOBKQWXWKUOCQG-HRCADAONSA-N 0 3 361.486 2.050 10 0 FEAEHN O=C([C@H]1COc2ccc(Br)cc21)N1CCN2CCC[C@@H]2C1 ZINC000179342495 546935816 /nfs/dbraw/zinc/93/58/16/546935816.db2.gz FLGMDTZKATZBLY-OCCSQVGLSA-N 0 3 351.244 2.232 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cccc(-c2nnc(COC)o2)c1 ZINC000179702077 547001038 /nfs/dbraw/zinc/00/10/38/547001038.db2.gz BIPVRMMZEIOAPT-INIZCTEOSA-N 0 3 358.442 2.439 10 0 FEAEHN COc1ccc(-c2n[nH]cc2CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000180236018 547071077 /nfs/dbraw/zinc/07/10/77/547071077.db2.gz UBANOJZKNGCPTN-BEFAXECRSA-N 0 3 356.470 2.238 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1ccc(S(=O)(=O)CC)cc1 ZINC000180898562 547205750 /nfs/dbraw/zinc/20/57/50/547205750.db2.gz BTKWUMCPOFWHIW-MRXNPFEDSA-N 0 3 367.515 2.106 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000181336251 547295779 /nfs/dbraw/zinc/29/57/79/547295779.db2.gz KUVQZBADDAGAKB-HOTGVXAUSA-N 0 3 370.501 2.495 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCc1cccc(C(N)=O)c1 ZINC000181333791 547296100 /nfs/dbraw/zinc/29/61/00/547296100.db2.gz YCGUGTHJENKGPX-HNNXBMFYSA-N 0 3 354.454 2.105 10 0 FEAEHN Cn1cc(CN2CCCN(CCC(=O)OCc3ccccc3)CC2)cn1 ZINC000181452241 547317607 /nfs/dbraw/zinc/31/76/07/547317607.db2.gz BZKBEIGMGCGWPL-UHFFFAOYSA-N 0 3 356.470 2.061 10 0 FEAEHN CN(Cc1ncn(-c2ccccc2)n1)C1CCN(CCn2cccn2)CC1 ZINC000181563002 547336767 /nfs/dbraw/zinc/33/67/67/547336767.db2.gz QZAIZDMLSGCCKE-UHFFFAOYSA-N 0 3 365.485 2.060 10 0 FEAEHN O=C(NC1CCN(C2CC2)CC1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000182275078 547465932 /nfs/dbraw/zinc/46/59/32/547465932.db2.gz VQIRVVSAYAINQH-QGZVFWFLSA-N 0 3 372.517 2.478 10 0 FEAEHN C[C@@H](O)CN1CCN(CCc2cc(Cl)c3c(c2)OCCCO3)C[C@H]1C ZINC000182753909 547547426 /nfs/dbraw/zinc/54/74/26/547547426.db2.gz SWUJHQUTBFYLLJ-HUUCEWRRSA-N 0 3 368.905 2.431 10 0 FEAEHN C[C@H](NCC(=O)Nc1ccccc1C(=O)NCc1ccco1)[C@H]1CCCO1 ZINC000183121291 547605307 /nfs/dbraw/zinc/60/53/07/547605307.db2.gz QYYWLUBCLIQPCI-KBXCAEBGSA-N 0 3 371.437 2.305 10 0 FEAEHN CCOc1ccc([C@H](C)NC(=O)CN[C@@H](C)[C@@H]2CCCO2)cc1OC ZINC000183157005 547612576 /nfs/dbraw/zinc/61/25/76/547612576.db2.gz AEQNZRPULWCGIG-DZKIICNBSA-N 0 3 350.459 2.428 10 0 FEAEHN C[C@H](CCc1cccc(F)c1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000183275654 547631770 /nfs/dbraw/zinc/63/17/70/547631770.db2.gz IZDATTAZAKJGTP-OAHLLOKOSA-N 0 3 354.433 2.407 10 0 FEAEHN CCCCN1CCOC[C@@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000184171811 547781296 /nfs/dbraw/zinc/78/12/96/547781296.db2.gz SBSUATSRAPBJDH-HXUWFJFHSA-N 0 3 359.514 2.268 10 0 FEAEHN CN(Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1CCCn2ncnc21)C1CC1 ZINC000184574972 547848259 /nfs/dbraw/zinc/84/82/59/547848259.db2.gz LMYJCTJQJFLQLO-QZTJIDSGSA-N 0 3 368.485 2.323 10 0 FEAEHN Cc1nc(C)n(C[C@H]2CCCN(Cc3cc(-c4cnn(C)c4)no3)C2)n1 ZINC000184999616 547915231 /nfs/dbraw/zinc/91/52/31/547915231.db2.gz ORQDEDICTGNCKH-HNNXBMFYSA-N 0 3 355.446 2.196 10 0 FEAEHN CCc1c(C(=O)N2CCN3CCC[C@@H]3C2)cnn1-c1ccc(OC)cc1 ZINC000185403664 547979663 /nfs/dbraw/zinc/97/96/63/547979663.db2.gz XCQXOMJMLRVECH-MRXNPFEDSA-N 0 3 354.454 2.364 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)N2CCN(C3CCCC3)CC2)C12CCOCC2 ZINC000185695222 548021379 /nfs/dbraw/zinc/02/13/79/548021379.db2.gz KVXFNVQCVYJQDP-ZWKOTPCHSA-N 0 3 365.518 2.230 10 0 FEAEHN COc1ccc(F)cc1CC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000186313955 548117624 /nfs/dbraw/zinc/11/76/24/548117624.db2.gz VXQJOHLVULAENJ-UHFFFAOYSA-N 0 3 374.460 2.196 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 ZINC000194311919 548464395 /nfs/dbraw/zinc/46/43/95/548464395.db2.gz YFOJTJSSLASXMU-HNNXBMFYSA-N 0 3 357.458 2.090 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(CC(=O)N2CCC[C@H](C)C2)C1 ZINC000195256851 548605204 /nfs/dbraw/zinc/60/52/04/548605204.db2.gz DGEHBFXLJCMNST-DOTOQJQBSA-N 0 3 364.559 2.464 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(CC(=O)NCC2CCC2)C1 ZINC000195263424 548606807 /nfs/dbraw/zinc/60/68/07/548606807.db2.gz DQRYVVDAAXYVQS-MRXNPFEDSA-N 0 3 350.532 2.122 10 0 FEAEHN O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000195327205 548624581 /nfs/dbraw/zinc/62/45/81/548624581.db2.gz GAZYATATOULXMZ-NDDJGDGRSA-N 0 3 367.493 2.245 10 0 FEAEHN COc1ccc2c(C)c(CCC(=O)N3CCN4CCC[C@H]4C3)c(=O)oc2c1 ZINC000195324797 548624725 /nfs/dbraw/zinc/62/47/25/548624725.db2.gz CDAQKAQNNFEZRG-HNNXBMFYSA-N 0 3 370.449 2.349 10 0 FEAEHN O=C(COc1cccc(NC(=O)c2ccco2)c1)N1CCN2CCC[C@H]2C1 ZINC000195330391 548625464 /nfs/dbraw/zinc/62/54/64/548625464.db2.gz JIYNDBMCOQWIIZ-INIZCTEOSA-N 0 3 369.421 2.217 10 0 FEAEHN COC(=O)c1ccc(C)c(NC(=O)CN2CCC(c3ccn[nH]3)CC2)c1 ZINC000195506596 548651650 /nfs/dbraw/zinc/65/16/50/548651650.db2.gz ZYSKONNYQHXUDR-UHFFFAOYSA-N 0 3 356.426 2.323 10 0 FEAEHN C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(F)c2)C[C@@H]1N(C)C ZINC000229067260 548755724 /nfs/dbraw/zinc/75/57/24/548755724.db2.gz AJGDQJGYLGCNLZ-RNCFNFMXSA-N 0 3 365.268 2.159 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)[C@H]1COCCN1)c1ccc(C(F)(F)F)cc1 ZINC000236836183 548783604 /nfs/dbraw/zinc/78/36/04/548783604.db2.gz XMIOIEYPLRELBV-CVEARBPZSA-N 0 3 373.419 2.193 10 0 FEAEHN CC[C@@H]1CN(C(=O)c2oc3ccccc3c2CN(C)C)CCN1C[C@H](C)O ZINC000245443477 548923296 /nfs/dbraw/zinc/92/32/96/548923296.db2.gz XFZYQWIQNMAXKQ-JKSUJKDBSA-N 0 3 373.497 2.412 10 0 FEAEHN CC(C)N1CC[C@H](NC[C@H](c2cccs2)N2CCO[C@H](C)C2)C1=O ZINC000245473053 548930691 /nfs/dbraw/zinc/93/06/91/548930691.db2.gz PQGNUWXEFRHZHP-OWCLPIDISA-N 0 3 351.516 2.109 10 0 FEAEHN O=c1c(Cl)c(N2CCN3CCC[C@H]3C2)cnn1-c1ccc(F)cc1F ZINC000246053532 549042125 /nfs/dbraw/zinc/04/21/25/549042125.db2.gz DWSDKTOSRGVETI-LBPRGKRZSA-N 0 3 366.799 2.449 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cccc(-c3cnco3)c2)C1 ZINC000246457229 549137515 /nfs/dbraw/zinc/13/75/15/549137515.db2.gz PBAJHUPCQMXSSC-CZUORRHYSA-N 0 3 356.426 2.125 10 0 FEAEHN C[C@H]1CN(Cc2ccc(OCc3nccn3C)cc2)C[C@H]1N1CCOCC1 ZINC000246520003 549152278 /nfs/dbraw/zinc/15/22/78/549152278.db2.gz RGKXETYMXORXAF-FXAWDEMLSA-N 0 3 370.497 2.152 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2N2CCCC2)C1 ZINC000246526559 549153455 /nfs/dbraw/zinc/15/34/55/549153455.db2.gz UQEDTPMDYSWPLY-NVXWUHKLSA-N 0 3 358.486 2.070 10 0 FEAEHN Cc1ccc(C)c(OC[C@H](O)CN2C[C@H](N3CCOCC3)[C@@H](C)C2)c1C ZINC000246605210 549173066 /nfs/dbraw/zinc/17/30/66/549173066.db2.gz XTFSLJSXEMFMIC-SXLOBPIMSA-N 0 3 362.514 2.004 10 0 FEAEHN C[C@H](NC[C@H]1CN(C)CCO1)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000246613495 549175059 /nfs/dbraw/zinc/17/50/59/549175059.db2.gz SFYYEKMDJDMOKC-FTRWYGJKSA-N 0 3 355.482 2.326 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1 ZINC000246739062 549200363 /nfs/dbraw/zinc/20/03/63/549200363.db2.gz AWMMRHAHNFMASX-QFBILLFUSA-N 0 3 372.513 2.319 10 0 FEAEHN C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCN2CCC[C@H]2C1 ZINC000246784362 549211472 /nfs/dbraw/zinc/21/14/72/549211472.db2.gz ZLGUVFFLYGIWLO-IUCAKERBSA-N 0 3 363.330 2.489 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000246796524 549214033 /nfs/dbraw/zinc/21/40/33/549214033.db2.gz CXAVQELWCJDSQD-MISYRCLQSA-N 0 3 371.525 2.313 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000246952823 549250483 /nfs/dbraw/zinc/25/04/83/549250483.db2.gz ICTZUUJTFZZHIO-PVAVHDDUSA-N 0 3 361.490 2.060 10 0 FEAEHN CN1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247009736 549264262 /nfs/dbraw/zinc/26/42/62/549264262.db2.gz ZBYAGXUNAXTDCE-BZUAXINKSA-N 0 3 351.491 2.186 10 0 FEAEHN CCOCCN1CCN(C(=O)N[C@H](C)CN2CCCCC2)C[C@H]1CC ZINC000247260351 549308863 /nfs/dbraw/zinc/30/88/63/549308863.db2.gz YKBGDKPNBYZTIZ-QZTJIDSGSA-N 0 3 354.539 2.003 10 0 FEAEHN CC(C)[C@H](NC(=O)c1cccs1)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000247326898 549318952 /nfs/dbraw/zinc/31/89/52/549318952.db2.gz MTLWOAXPGRKODJ-DZKIICNBSA-N 0 3 351.516 2.347 10 0 FEAEHN C[C@H](O)CN1CCN(Cc2ccc(I)cc2)C[C@H]1C ZINC000247345543 549322745 /nfs/dbraw/zinc/32/27/45/549322745.db2.gz GIPAHVLTKKBWTI-OLZOCXBDSA-N 0 3 374.266 2.178 10 0 FEAEHN Cc1nc(C)n(C[C@@H]2CCCN(C[C@@H](O)COc3ccccc3C)C2)n1 ZINC000247775220 549379993 /nfs/dbraw/zinc/37/99/93/549379993.db2.gz QJMKUGXIOMWWHM-RTBURBONSA-N 0 3 358.486 2.355 10 0 FEAEHN Cc1ccccc1OC[C@H](O)CN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247806221 549381680 /nfs/dbraw/zinc/38/16/80/549381680.db2.gz SSOLVJMDQILDKH-ZWKOTPCHSA-N 0 3 356.470 2.126 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)C1 ZINC000248146617 549412212 /nfs/dbraw/zinc/41/22/12/549412212.db2.gz ZUAQPESHSYZRDA-WKCGWZECSA-N 0 3 361.461 2.190 10 0 FEAEHN C[C@H](O)CN1CCN(Cc2nc3ccc(Br)cc3[nH]2)C[C@@H]1C ZINC000248396701 549428559 /nfs/dbraw/zinc/42/85/59/549428559.db2.gz KNWZCSWXIUJROT-RYUDHWBXSA-N 0 3 367.291 2.212 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000248642405 549474932 /nfs/dbraw/zinc/47/49/32/549474932.db2.gz DGEHBFXLJCMNST-WBVHZDCISA-N 0 3 364.559 2.464 10 0 FEAEHN COCc1noc([C@@H](C)N2CC[C@H](CN(C)Cc3scnc3C)C2)n1 ZINC000248644887 549475648 /nfs/dbraw/zinc/47/56/48/549475648.db2.gz FVMBQXCCBIPJBJ-ZIAGYGMSSA-N 0 3 365.503 2.496 10 0 FEAEHN CCc1nc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2CC)sc1C ZINC000248673845 549482420 /nfs/dbraw/zinc/48/24/20/549482420.db2.gz HOARDLCHVVTYMD-OLZOCXBDSA-N 0 3 350.488 2.038 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)N[C@H](C)CN2CCC[C@H](C)C2)C12CCOCC2 ZINC000248706215 549487011 /nfs/dbraw/zinc/48/70/11/549487011.db2.gz LZTVWTXOONFTSS-XWTMOSNGSA-N 0 3 367.534 2.380 10 0 FEAEHN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCN2CCC[C@H]2C1 ZINC000248717765 549489672 /nfs/dbraw/zinc/48/96/72/549489672.db2.gz FLIRULMZZIARAB-ZFWWWQNUSA-N 0 3 351.244 2.059 10 0 FEAEHN CCN1CCC[C@H](NC(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 ZINC000248799414 549503341 /nfs/dbraw/zinc/50/33/41/549503341.db2.gz ZTYNQRHAHUUGTA-DZGCQCFKSA-N 0 3 353.260 2.353 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000249157529 549562396 /nfs/dbraw/zinc/56/23/96/549562396.db2.gz IQQCMPWRDJMFFO-QGTPRVQTSA-N 0 3 359.470 2.418 10 0 FEAEHN CC1CCN([C@@H](CNC(=O)[C@H](N)C2CCOCC2)c2cccs2)CC1 ZINC000261628810 549736639 /nfs/dbraw/zinc/73/66/39/549736639.db2.gz CTOQAONIHDCARQ-FUHWJXTLSA-N 0 3 365.543 2.391 10 0 FEAEHN N[C@@H](C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1)C1CCOCC1 ZINC000261761987 549752435 /nfs/dbraw/zinc/75/24/35/549752435.db2.gz LTUCSVYPJDPVNZ-JKSUJKDBSA-N 0 3 372.387 2.359 10 0 FEAEHN C[C@@](N)(C(=O)N1CCN2CCCC[C@H]2C1)c1ccc(Br)cc1 ZINC000261761042 549752559 /nfs/dbraw/zinc/75/25/59/549752559.db2.gz NLWIURXQSRQPFK-RDJZCZTQSA-N 0 3 366.303 2.320 10 0 FEAEHN COc1cc([C@@H](C)NC(=O)[C@@H](N)C2CCOCC2)ccc1OC(C)C ZINC000261768146 549753010 /nfs/dbraw/zinc/75/30/10/549753010.db2.gz MEWWOYBDQRWQSB-ACJLOTCBSA-N 0 3 350.459 2.414 10 0 FEAEHN CC1CCN([C@@H](CNC(=O)C2([NH3+])CCOCC2)c2cccs2)CC1 ZINC000261863759 549763430 /nfs/dbraw/zinc/76/34/30/549763430.db2.gz NIMAETUFWARYQN-HNNXBMFYSA-N 0 3 351.516 2.145 10 0 FEAEHN CC1CCN([C@@H](CNC(=O)C2(N)CCOCC2)c2cccs2)CC1 ZINC000261863759 549763432 /nfs/dbraw/zinc/76/34/32/549763432.db2.gz NIMAETUFWARYQN-HNNXBMFYSA-N 0 3 351.516 2.145 10 0 FEAEHN CN(Cc1cscn1)Cc1cccc(NC(=O)C2(N)CCOCC2)c1 ZINC000261940843 549772177 /nfs/dbraw/zinc/77/21/77/549772177.db2.gz XIFVUKGPNBWEHL-UHFFFAOYSA-N 0 3 360.483 2.222 10 0 FEAEHN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2)cc1Cl ZINC000262301651 549807980 /nfs/dbraw/zinc/80/79/80/549807980.db2.gz AJCGLPVHWSBKMC-KFNAQCHYSA-N 0 3 365.861 2.016 10 0 FEAEHN CN1CCNC[C@H]1c1noc(CCc2ncc(-c3ccccc3F)o2)n1 ZINC000263135022 549880516 /nfs/dbraw/zinc/88/05/16/549880516.db2.gz BZBUZUVAOICGRK-AWEZNQCLSA-N 0 3 357.389 2.225 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2ccccc2OCc2cscn2)n1 ZINC000263145508 549881211 /nfs/dbraw/zinc/88/12/11/549881211.db2.gz CRPOUZYCFVDZRG-CQSZACIVSA-N 0 3 357.439 2.348 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(C2CCN(C(=O)Nc3ccccc3)CC2)n1 ZINC000263198666 549885206 /nfs/dbraw/zinc/88/52/06/549885206.db2.gz IRZGEVGPPUIDHT-MRXNPFEDSA-N 0 3 370.457 2.057 10 0 FEAEHN CC(C)c1ccc(N2CC[C@H](c3nc([C@@H]4CNCCN4C)no3)C2=O)cc1 ZINC000263218824 549886631 /nfs/dbraw/zinc/88/66/31/549886631.db2.gz LMLHUVIIARQWEC-SJORKVTESA-N 0 3 369.469 2.290 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2ccc(C(=O)NCC(C)(C)C)cc2)n1 ZINC000263262169 549890200 /nfs/dbraw/zinc/89/02/00/549890200.db2.gz RBUBHFSNROBMQU-OAHLLOKOSA-N 0 3 357.458 2.089 10 0 FEAEHN Cc1nn(-c2ccc(F)cc2)c(C)c1-c1nc([C@H]2CNCCN2C)no1 ZINC000263289377 549892625 /nfs/dbraw/zinc/89/26/25/549892625.db2.gz VMOYGAOVLNPNEC-OAHLLOKOSA-N 0 3 356.405 2.254 10 0 FEAEHN CCN1CCc2c(cccc2Nc2ncnc3c2cnn3CC(=O)OC)C1 ZINC000301699838 553673093 /nfs/dbraw/zinc/67/30/93/553673093.db2.gz PFDOYTXMWUODQP-UHFFFAOYSA-N 0 3 366.425 2.121 10 0 FEAEHN CC(=O)N(Cc1cncnc1)[C@H]1CCCN(Cc2ccc(CO)cc2)CC1 ZINC000328622064 553797887 /nfs/dbraw/zinc/79/78/87/553797887.db2.gz AYZNIRQXGSXDQW-NRFANRHFSA-N 0 3 368.481 2.372 10 0 FEAEHN CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(CCOCC(F)(F)F)CC1 ZINC000328653858 553802377 /nfs/dbraw/zinc/80/23/77/553802377.db2.gz XAOFSXKTUUVAON-MRXNPFEDSA-N 0 3 374.407 2.259 10 0 FEAEHN CCN1CCC[C@@H](CN(C)C(=O)c2cccc(=O)[nH]2)[C@@H]1c1cnn(C)c1 ZINC000328788200 553822247 /nfs/dbraw/zinc/82/22/47/553822247.db2.gz XMZLKOSOHNZUAO-KBXCAEBGSA-N 0 3 357.458 2.066 10 0 FEAEHN O=C(NC[C@H]1CN(Cc2ccc[nH]2)CC12CCOCC2)c1cccnc1 ZINC000409421386 558691043 /nfs/dbraw/zinc/69/10/43/558691043.db2.gz ZRTIIHVEKHGCHM-KRWDZBQOSA-N 0 3 354.454 2.068 10 0 FEAEHN COCCN1CCN([C@]2(C)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000725265622 570539547 /nfs/dbraw/zinc/53/95/47/570539547.db2.gz OWNDICROLXVGGQ-LJQANCHMSA-N 0 3 355.523 2.430 10 0 FEAEHN Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2C[NH3+])sc1Br ZINC000094541469 670758114 /nfs/dbraw/zinc/75/81/14/670758114.db2.gz XWKJCIMFHZPKKZ-IUCAKERBSA-N 0 3 353.307 2.225 10 0 FEAEHN Cc1ccc(-c2nn(CN3CCO[C@H](CN(C)C)C3)c(=S)n2C)cc1 ZINC000153006092 672192329 /nfs/dbraw/zinc/19/23/29/672192329.db2.gz HYNKHICJZFSQHJ-MRXNPFEDSA-N 0 3 361.515 2.146 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000236953533 672805103 /nfs/dbraw/zinc/80/51/03/672805103.db2.gz RKEKXOGJUPNDOL-UKRRQHHQSA-N 0 3 352.548 2.458 10 0 FEAEHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000263117749 672928359 /nfs/dbraw/zinc/92/83/59/672928359.db2.gz GBMNSWHUAXUZFC-RTHLEPHNSA-N 0 3 364.248 2.409 10 0 FEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@H](C)CCc2ccc(OC)c(O)c2)C1 ZINC000263506348 672934767 /nfs/dbraw/zinc/93/47/67/672934767.db2.gz MDKDLCNNJYJZRK-IUDNXUCKSA-N 0 3 350.459 2.249 10 0 FEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@H](C)CCc2ccc(OC)c(O)c2)C1 ZINC000263506348 672934769 /nfs/dbraw/zinc/93/47/69/672934769.db2.gz MDKDLCNNJYJZRK-IUDNXUCKSA-N 0 3 350.459 2.249 10 0 FEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@H](C)CCc2ccc(OC)c(O)c2)C1 ZINC000263506348 672934770 /nfs/dbraw/zinc/93/47/70/672934770.db2.gz MDKDLCNNJYJZRK-IUDNXUCKSA-N 0 3 350.459 2.249 10 0 FEAEHN CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1ccc(C)s1)CC2 ZINC000012194195 539548527 /nfs/dbraw/zinc/54/85/27/539548527.db2.gz RZEPSHZBKDMLKO-ZDUSSCGKSA-N 0 3 361.515 2.369 10 0 FEAEHN C[C@@H](NC[C@@H](O)COc1ccccc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000025695188 539766874 /nfs/dbraw/zinc/76/68/74/539766874.db2.gz CGBXFKPUZGBRFT-UKRRQHHQSA-N 0 3 367.442 2.320 10 0 FEAEHN CCc1ccc([C@@H](CNC(=O)[C@@H](C)NC(=O)c2ccco2)N(C)C)cc1 ZINC000032732813 539950424 /nfs/dbraw/zinc/95/04/24/539950424.db2.gz ZRGQOIYQNSWQBQ-RHSMWYFYSA-N 0 3 357.454 2.379 10 0 FEAEHN COCCCN(Cc1ccc(OC)c(OC)c1)C[C@H](O)COC(C)C ZINC000036095907 539987289 /nfs/dbraw/zinc/98/72/89/539987289.db2.gz JJBFJIYFOGSIJE-KRWDZBQOSA-N 0 3 355.475 2.328 10 0 FEAEHN CCN1CCN(CCCCNC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000043166065 540092990 /nfs/dbraw/zinc/09/29/90/540092990.db2.gz PYGJIOGIMQJTJN-SFHVURJKSA-N 0 3 360.502 2.227 10 0 FEAEHN COc1ccc(F)cc1[C@H](C)NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000046337135 540252842 /nfs/dbraw/zinc/25/28/42/540252842.db2.gz QLQZRGRGPZALHD-ZFWWWQNUSA-N 0 3 353.438 2.041 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)NCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000052523738 540470591 /nfs/dbraw/zinc/47/05/91/540470591.db2.gz GFWXIRBUEUFXLO-CYBMUJFWSA-N 0 3 360.380 2.306 10 0 FEAEHN CN(C)C[C@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccccc1 ZINC000052556366 540473014 /nfs/dbraw/zinc/47/30/14/540473014.db2.gz YTEQTPFDSRWSAR-KRWDZBQOSA-N 0 3 367.449 2.221 10 0 FEAEHN CN(C)C[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1 ZINC000052852895 540494408 /nfs/dbraw/zinc/49/44/08/540494408.db2.gz KPFODUDHZQSVCD-FUHWJXTLSA-N 0 3 355.438 2.047 10 0 FEAEHN CCCc1nc(CS(=O)(=O)C(C)C(=O)N[C@H](C)c2ccccc2)no1 ZINC000065762352 541260129 /nfs/dbraw/zinc/26/01/29/541260129.db2.gz HIFVWXBOAXFWLE-OLZOCXBDSA-N 0 3 365.455 2.203 10 0 FEAEHN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@H](CC(C)C)CN(C)C)c1 ZINC000068223394 221314738 /nfs/dbraw/zinc/31/47/38/221314738.db2.gz XDZFLTHZYFCPOI-GOSISDBHSA-N 0 3 362.474 2.310 10 0 FEAEHN C[C@H]1CN(CC2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)C[C@H](C)O1 ZINC000091478822 542809910 /nfs/dbraw/zinc/80/99/10/542809910.db2.gz WLFODYQWTCHSTI-GJZGRUSLSA-N 0 3 370.501 2.327 10 0 FEAEHN CC(C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)Cc1noc(C2CC2)n1 ZINC000098151665 543024310 /nfs/dbraw/zinc/02/43/10/543024310.db2.gz IAKHGPOJOYZTPN-RYUDHWBXSA-N 0 3 363.439 2.128 10 0 FEAEHN CCCC(=O)NC[C@@H]1CCCN(C(=O)N[C@H](CC(C)C)CN(C)C)C1 ZINC000101983451 543053229 /nfs/dbraw/zinc/05/32/29/543053229.db2.gz XYQTWRIUAJIDRM-DLBZAZTESA-N 0 3 354.539 2.301 10 0 FEAEHN Cc1ccc(OC[C@H](O)CN2CCCN(c3ccc(C)nn3)CC2)cc1 ZINC000106072449 543190143 /nfs/dbraw/zinc/19/01/43/543190143.db2.gz NICKUMKXXVUWPX-GOSISDBHSA-N 0 3 356.470 2.045 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)COc2ccc(C)cc2C)CCN1CCOC ZINC000106113030 543200594 /nfs/dbraw/zinc/20/05/94/543200594.db2.gz ISFJPIBWGWIYBE-MOPGFXCFSA-N 0 3 350.503 2.086 10 0 FEAEHN CC[C@H]1CN(C[C@H](O)COc2c(C)ccc(C)c2C)CCN1CCOC ZINC000106113207 543200627 /nfs/dbraw/zinc/20/06/27/543200627.db2.gz MDWVHQXFCIEOHM-PMACEKPBSA-N 0 3 364.530 2.394 10 0 FEAEHN CC[C@H]1CN(CCC(=O)N2CCc3sccc3C2)CCN1CCOC ZINC000106113102 543200658 /nfs/dbraw/zinc/20/06/58/543200658.db2.gz MZNUQNZNFFKJER-KRWDZBQOSA-N 0 3 365.543 2.066 10 0 FEAEHN CC[C@H]1CN(CCC(=O)Nc2ccc(C(C)=O)cc2)CCN1CCOC ZINC000106114520 543201943 /nfs/dbraw/zinc/20/19/43/543201943.db2.gz FOFOJVLUNJQTPP-IBGZPJMESA-N 0 3 361.486 2.260 10 0 FEAEHN CCOCCN1CCN(CCC(=O)Nc2ccc(OC)cc2)C[C@@H]1CC ZINC000106116689 543202893 /nfs/dbraw/zinc/20/28/93/543202893.db2.gz XQFNVKNEECCFIB-SFHVURJKSA-N 0 3 363.502 2.457 10 0 FEAEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000106208039 543218064 /nfs/dbraw/zinc/21/80/64/543218064.db2.gz HSZFGBLHKINAHK-KRWDZBQOSA-N 0 3 369.469 2.302 10 0 FEAEHN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000108492359 543291729 /nfs/dbraw/zinc/29/17/29/543291729.db2.gz GXKURZWNEGOEIJ-ICSRJNTNSA-N 0 3 364.530 2.385 10 0 FEAEHN C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)CN1CCN(C)CC1 ZINC000109151425 543315933 /nfs/dbraw/zinc/31/59/33/543315933.db2.gz IWSRPVKFDRTBRU-BMFZPTHFSA-N 0 3 351.441 2.068 10 0 FEAEHN C[C@H](NC(=O)N(C)C1CCN(CCn2cccn2)CC1)c1cccnc1 ZINC000109392307 543323523 /nfs/dbraw/zinc/32/35/23/543323523.db2.gz MPGTYGAIIOTJMO-INIZCTEOSA-N 0 3 356.474 2.145 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@H](C)C(=O)N[C@@H](C)c1ccccc1C)CC2 ZINC000112550837 543451467 /nfs/dbraw/zinc/45/14/67/543451467.db2.gz HPOJTPCKVONWFX-ARFHVFGLSA-N 0 3 355.486 2.319 10 0 FEAEHN C[C@@H](N[C@H]1CCc2ncnn2C1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000112550275 543451532 /nfs/dbraw/zinc/45/15/32/543451532.db2.gz QWINUEGYTAGLBB-MFKMUULPSA-N 0 3 353.348 2.229 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000113306100 543483888 /nfs/dbraw/zinc/48/38/88/543483888.db2.gz SLKHEAIHYAIPDZ-VXGBXAGGSA-N 0 3 364.389 2.442 10 0 FEAEHN C[C@H](CNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1)N1CCOCC1 ZINC000113590951 543491443 /nfs/dbraw/zinc/49/14/43/543491443.db2.gz MJWMXCBRCDTAOF-IAGOWNOFSA-N 0 3 362.518 2.136 10 0 FEAEHN Cc1nc(CN2CCN(C(=O)N[C@H](CC(C)C)CN(C)C)CC2)oc1C ZINC000114933316 543546176 /nfs/dbraw/zinc/54/61/76/543546176.db2.gz FERVPXCPKGIIOE-QGZVFWFLSA-N 0 3 365.522 2.095 10 0 FEAEHN O=C(NCc1csc(-c2ccccc2)n1)NC[C@H](O)CN1CCCCC1 ZINC000115831707 543589169 /nfs/dbraw/zinc/58/91/69/543589169.db2.gz JVZSEGUIVXWIEQ-KRWDZBQOSA-N 0 3 374.510 2.456 10 0 FEAEHN CCOCCN1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C[C@@H]1C ZINC000117275875 543625538 /nfs/dbraw/zinc/62/55/38/543625538.db2.gz OKNUTHRSXPGJIK-ICSRJNTNSA-N 0 3 359.514 2.220 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000247479164 549341826 /nfs/dbraw/zinc/34/18/26/549341826.db2.gz SLKHEAIHYAIPDZ-RYUDHWBXSA-N 0 3 364.389 2.442 10 0 FEAEHN CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000121876176 543700952 /nfs/dbraw/zinc/70/09/52/543700952.db2.gz KFFRWWIMJSYRMN-AWEZNQCLSA-N 0 3 353.438 2.255 10 0 FEAEHN COc1cc(C(=O)N(C)C)ccc1NC(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000125416792 543880372 /nfs/dbraw/zinc/88/03/72/543880372.db2.gz LDNCQHPNJGDRJW-BBRMVZONSA-N 0 3 362.474 2.247 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CCc1ccc(S(=O)(=O)CC)cc1 ZINC000126382161 543933009 /nfs/dbraw/zinc/93/30/09/543933009.db2.gz QGVBOIORRXTQIZ-QGZVFWFLSA-N 0 3 366.527 2.356 10 0 FEAEHN CCc1csc([C@H]2CCCN(C[C@H](O)COC3CCOCC3)C2)n1 ZINC000127463193 543994773 /nfs/dbraw/zinc/99/47/73/543994773.db2.gz OOHIQODCPIBARJ-HOCLYGCPSA-N 0 3 354.516 2.441 10 0 FEAEHN CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)c1 ZINC000130612736 544158028 /nfs/dbraw/zinc/15/80/28/544158028.db2.gz OPAXOQPZBQGINO-WMZOPIPTSA-N 0 3 361.486 2.134 10 0 FEAEHN COc1cc2[nH]c(CCCNC(=O)N3CC[C@H](N(C)C)C3)cc2c(OC)c1 ZINC000130753953 544163380 /nfs/dbraw/zinc/16/33/80/544163380.db2.gz XBAUSDTXWJSNFI-HNNXBMFYSA-N 0 3 374.485 2.463 10 0 FEAEHN COC(=O)c1ccc(CN(C)C2CCN(CCn3cccn3)CC2)c(F)c1 ZINC000135432553 544346636 /nfs/dbraw/zinc/34/66/36/544346636.db2.gz FKEKCXFTPNYDIV-UHFFFAOYSA-N 0 3 374.460 2.405 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(SC(F)F)nc2)[C@@H](C)C1 ZINC000136635278 544375693 /nfs/dbraw/zinc/37/56/93/544375693.db2.gz IVZUZTBQRRBFQP-JQWIXIFHSA-N 0 3 372.441 2.180 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccccc2N2CCCC2)C1 ZINC000150796144 544472763 /nfs/dbraw/zinc/47/27/63/544472763.db2.gz UQEDTPMDYSWPLY-WBVHZDCISA-N 0 3 358.486 2.070 10 0 FEAEHN Cc1c([C@@H](C)NC[C@@H](O)CN2CCCCC2)nnn1-c1ccc(F)cc1 ZINC000151303514 544526499 /nfs/dbraw/zinc/52/64/99/544526499.db2.gz JMLKSYKIVNWIOT-RDTXWAMCSA-N 0 3 361.465 2.212 10 0 FEAEHN CC[C@H]1CN(C[C@H](O)COCc2ccccc2Cl)CCN1CCOC ZINC000155095148 544988851 /nfs/dbraw/zinc/98/88/51/544988851.db2.gz GCWQBDDMUCFGEA-ROUUACIJSA-N 0 3 370.921 2.260 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)CC2 ZINC000180627262 327694449 /nfs/dbraw/zinc/69/44/49/327694449.db2.gz XAIYKWKUDUFCFD-DGCLKSJQSA-N 0 3 366.462 2.049 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2cccc(Cl)c2-n2cccn2)CCO1 ZINC000181173210 327719124 /nfs/dbraw/zinc/71/91/24/327719124.db2.gz GBVUCAYFDZJATC-ZDUSSCGKSA-N 0 3 363.849 2.320 10 0 FEAEHN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN[C@H](C)[C@H]1CCCO1 ZINC000183101316 327801698 /nfs/dbraw/zinc/80/16/98/327801698.db2.gz HJSJHFIAVKYLEL-OXQOHEQNSA-N 0 3 370.497 2.322 10 0 FEAEHN O=C(NCc1ccccc1N1CCCCC1)NC[C@H](O)CN1CCCCC1 ZINC000183680427 327830365 /nfs/dbraw/zinc/83/03/65/327830365.db2.gz FZXZZMFSXUSJMY-IBGZPJMESA-N 0 3 374.529 2.323 10 0 FEAEHN Cc1nn(-c2ccccc2)cc1NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000183721064 327832126 /nfs/dbraw/zinc/83/21/26/327832126.db2.gz CREPLUQZLAZKTH-QGZVFWFLSA-N 0 3 357.458 2.149 10 0 FEAEHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187830698 328049000 /nfs/dbraw/zinc/04/90/00/328049000.db2.gz GDWNGCKMBBEQKN-LJQANCHMSA-N 0 3 372.513 2.063 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(-n2cccn2)ccc1C ZINC000187842221 328050030 /nfs/dbraw/zinc/05/00/30/328050030.db2.gz DSNRBBWTTQFLRR-KRWDZBQOSA-N 0 3 369.469 2.062 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000187932830 328054936 /nfs/dbraw/zinc/05/49/36/328054936.db2.gz ZXJUTAFHACDQPB-LBPRGKRZSA-N 0 3 363.767 2.460 10 0 FEAEHN COc1ccc(O)cc1C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000189347225 328142458 /nfs/dbraw/zinc/14/24/58/328142458.db2.gz HFRCXAPLYABFCG-MRXNPFEDSA-N 0 3 355.438 2.390 10 0 FEAEHN Cc1cc(-c2ncccc2NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)cs1 ZINC000189463834 328149980 /nfs/dbraw/zinc/14/99/80/328149980.db2.gz VBJAGDGCDSHIJB-CQSZACIVSA-N 0 3 358.467 2.220 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000189538027 328153813 /nfs/dbraw/zinc/15/38/13/328153813.db2.gz DIURWJRLIZSQNJ-DAXOMENPSA-N 0 3 356.388 2.304 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c2cccnc12 ZINC000190078908 328186288 /nfs/dbraw/zinc/18/62/88/328186288.db2.gz VSVFTZLVVJTNSS-GJZGRUSLSA-N 0 3 352.438 2.177 10 0 FEAEHN CCCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000190081490 328186788 /nfs/dbraw/zinc/18/67/88/328186788.db2.gz PZBJUGKGKZVPIU-ZFWWWQNUSA-N 0 3 363.433 2.248 10 0 FEAEHN CO[C@@H](C)[C@H](C)NC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000190229074 328195724 /nfs/dbraw/zinc/19/57/24/328195724.db2.gz BTULPMQLQBDQOR-BXWFABGCSA-N 0 3 363.502 2.155 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(-c2cnco2)c1 ZINC000190345260 328201357 /nfs/dbraw/zinc/20/13/57/328201357.db2.gz ZQLTWYQDRJFAJB-IAGOWNOFSA-N 0 3 368.437 2.365 10 0 FEAEHN CC[C@H](C)NC(=O)CN1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190516114 328213039 /nfs/dbraw/zinc/21/30/39/328213039.db2.gz BSYHUQWFRJCEAM-HOTGVXAUSA-N 0 3 355.523 2.029 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NCCc2cccnc2)C1 ZINC000190689770 328225197 /nfs/dbraw/zinc/22/51/97/328225197.db2.gz NVOZSGPLKFDIMS-IBGZPJMESA-N 0 3 353.470 2.183 10 0 FEAEHN CN(C(=O)c1n[nH]c2c1CCCCC2)C1CCN(CCn2cccn2)CC1 ZINC000191577746 328272166 /nfs/dbraw/zinc/27/21/66/328272166.db2.gz KQLMOCAREWCZNL-UHFFFAOYSA-N 0 3 370.501 2.112 10 0 FEAEHN Cc1csc([C@H]2CN(C(=O)NCCN3CCC(C)CC3)CCO2)n1 ZINC000194069078 328409519 /nfs/dbraw/zinc/40/95/19/328409519.db2.gz ILUPUQLJZXFZHC-OAHLLOKOSA-N 0 3 352.504 2.266 10 0 FEAEHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCC(OC2CCCC2)CC1 ZINC000195326257 328472004 /nfs/dbraw/zinc/47/20/04/328472004.db2.gz JFRYJSVUQJIFTK-HNNXBMFYSA-N 0 3 372.465 2.067 10 0 FEAEHN CCC[C@H](N)C(=O)N1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000236837621 328495738 /nfs/dbraw/zinc/49/57/38/328495738.db2.gz IRWHHARZTQYHMI-ZBFHGGJFSA-N 0 3 357.458 2.069 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000237056169 328502870 /nfs/dbraw/zinc/50/28/70/328502870.db2.gz UWWWVJFFHOSNHZ-MAUKXSAKSA-N 0 3 371.485 2.063 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)NC[C@H](C)N1CCOCC1)c1ccccc1 ZINC000078545504 325051000 /nfs/dbraw/zinc/05/10/00/325051000.db2.gz PQNMBTKMDGJVPE-HKUYNNGSSA-N 0 3 362.518 2.089 10 0 FEAEHN CCn1ccnc1CS(=O)(=O)C(C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000083066858 325212508 /nfs/dbraw/zinc/21/25/08/325212508.db2.gz OKENFWFCGBHOHF-OLZOCXBDSA-N 0 3 367.446 2.223 10 0 FEAEHN Cc1nc2cc(NC(=O)C(=O)NC[C@H]3CCCN3CC(C)C)ccc2o1 ZINC000091251394 325384066 /nfs/dbraw/zinc/38/40/66/325384066.db2.gz CBBOIMOTZMXSFC-OAHLLOKOSA-N 0 3 358.442 2.311 10 0 FEAEHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000103593766 325524549 /nfs/dbraw/zinc/52/45/49/325524549.db2.gz FHCSUBWBDQAZNT-KRWDZBQOSA-N 0 3 360.502 2.252 10 0 FEAEHN CCc1nc(CC(=O)N(C)C2CCN(CCn3cccn3)CC2)cs1 ZINC000109291973 325664028 /nfs/dbraw/zinc/66/40/28/325664028.db2.gz OMUPSBKJWKNNKK-UHFFFAOYSA-N 0 3 361.515 2.068 10 0 FEAEHN C[C@H](CNC(=O)N(C)C1CCN(Cc2ccccc2)CC1)N1CCOCC1 ZINC000113590895 325854392 /nfs/dbraw/zinc/85/43/92/325854392.db2.gz CORGODLRKJFFGT-GOSISDBHSA-N 0 3 374.529 2.013 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CCO1 ZINC000116794285 326036101 /nfs/dbraw/zinc/03/61/01/326036101.db2.gz MUULNNDFXWWNTD-INIZCTEOSA-N 0 3 373.478 2.403 10 0 FEAEHN C[C@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)c1cccc(OC(F)F)c1 ZINC000117032425 326048317 /nfs/dbraw/zinc/04/83/17/326048317.db2.gz IAVSWKACLOPIGH-WFASDCNBSA-N 0 3 357.401 2.321 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)NCc2cc(F)cc(Br)c2)CCO1 ZINC000117037074 326048589 /nfs/dbraw/zinc/04/85/89/326048589.db2.gz BQCRGMSXGJMMDU-AWEZNQCLSA-N 0 3 374.254 2.060 10 0 FEAEHN Cc1cc(C)n(-c2cccc(NC(=O)N3CCO[C@H](CN(C)C)C3)c2)n1 ZINC000118805726 326103811 /nfs/dbraw/zinc/10/38/11/326103811.db2.gz LVZSXXREUUKNIC-GOSISDBHSA-N 0 3 357.458 2.283 10 0 FEAEHN CC(=O)[C@H](C)CCCCC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000119771325 326196468 /nfs/dbraw/zinc/19/64/68/326196468.db2.gz UEVPKEGMJUZUIX-UZLBHIALSA-N 0 3 360.498 2.307 10 0 FEAEHN C[C@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)c1ccccc1F ZINC000119820464 326201646 /nfs/dbraw/zinc/20/16/46/326201646.db2.gz GQSMGGOEYKKWRU-YJBOKZPZSA-N 0 3 356.441 2.465 10 0 FEAEHN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000119990167 326219158 /nfs/dbraw/zinc/21/91/58/326219158.db2.gz OQUVTNNWQVTDSV-IRXDYDNUSA-N 0 3 370.501 2.148 10 0 FEAEHN Cc1nc(-c2cccc(NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C)c2)no1 ZINC000120113636 326231239 /nfs/dbraw/zinc/23/12/39/326231239.db2.gz ARLRMKASTMEOSJ-INIZCTEOSA-N 0 3 373.457 2.076 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)CCO1 ZINC000122454569 326397425 /nfs/dbraw/zinc/39/74/25/326397425.db2.gz ZHSJRESVROTODY-GJZGRUSLSA-N 0 3 359.392 2.132 10 0 FEAEHN O=C(NC[C@@H](O)CN1CCCCC1)N[C@H](C1CCCC1)C(F)(F)F ZINC000127987399 326516050 /nfs/dbraw/zinc/51/60/50/326516050.db2.gz KWZSJAVBLUDUTE-ZIAGYGMSSA-N 0 3 351.413 2.254 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)N[C@@H](C1CCCC1)C(F)(F)F ZINC000127987125 326516054 /nfs/dbraw/zinc/51/60/54/326516054.db2.gz KWZSJAVBLUDUTE-KBPBESRZSA-N 0 3 351.413 2.254 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](NC(=O)N(CCN(C)C)C1CCCC1)CC2 ZINC000150894293 326670361 /nfs/dbraw/zinc/67/03/61/326670361.db2.gz FFBJBCGQQVPTHI-OAHLLOKOSA-N 0 3 362.522 2.232 10 0 FEAEHN CCc1nc2n(n1)CCC[C@H]2NC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000153157150 326725391 /nfs/dbraw/zinc/72/53/91/326725391.db2.gz ZZQBTUBQZKGQNU-MRXNPFEDSA-N 0 3 374.489 2.350 10 0 FEAEHN C[C@@H](CC(=O)N[C@H](CN)C1CCCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000155624276 326796874 /nfs/dbraw/zinc/79/68/74/326796874.db2.gz NSWULUUFTGGBQK-SUMWQHHRSA-N 0 3 370.490 2.402 10 0 FEAEHN CCC[C@@H](C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1)N(C)C ZINC000161780582 327008725 /nfs/dbraw/zinc/00/87/25/327008725.db2.gz DKHPKAPTNHUDPN-INIZCTEOSA-N 0 3 362.470 2.310 10 0 FEAEHN COc1ccc([C@H](CO)N(C)C(=O)N[C@H](CC(C)C)CN(C)C)cc1 ZINC000163950467 327062024 /nfs/dbraw/zinc/06/20/24/327062024.db2.gz UOMIQYMNYPAOOZ-AEFFLSMTSA-N 0 3 351.491 2.346 10 0 FEAEHN CN(C)C[C@H](NC(=O)c1cn(Cc2cccc(F)c2)nn1)c1ccccc1 ZINC000164647267 327073259 /nfs/dbraw/zinc/07/32/59/327073259.db2.gz QUVOEDWXJLIRQB-SFHVURJKSA-N 0 3 367.428 2.498 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)c3ccccc3)c2)C1 ZINC000170843840 327102216 /nfs/dbraw/zinc/10/22/16/327102216.db2.gz BBAGBDRBMVXYIX-GOSISDBHSA-N 0 3 365.433 2.019 10 0 FEAEHN Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000170843750 327102348 /nfs/dbraw/zinc/10/23/48/327102348.db2.gz HFZOBTCDMPQWFY-KRWDZBQOSA-N 0 3 352.438 2.158 10 0 FEAEHN CCc1ccccc1-n1cnnc1SCC(=O)N1CC[C@H](N(C)C)C1 ZINC000170867940 327104028 /nfs/dbraw/zinc/10/40/28/327104028.db2.gz VZXMTFGQIVPLJZ-HNNXBMFYSA-N 0 3 359.499 2.084 10 0 FEAEHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CNC1(c2ccccc2)CCC1 ZINC000170907152 327106749 /nfs/dbraw/zinc/10/67/49/327106749.db2.gz YCERHDJYJOIRDI-INIZCTEOSA-N 0 3 350.418 2.313 10 0 FEAEHN CCN(CC)C(=O)COc1cccc(NC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000171075272 327116104 /nfs/dbraw/zinc/11/61/04/327116104.db2.gz ZOAJILPUAJHSQN-MRXNPFEDSA-N 0 3 362.474 2.102 10 0 FEAEHN Cc1cccc(NC[C@@H]2CCN(CCN3C(=O)c4ccccc4C3=O)C2)n1 ZINC000171653508 327152158 /nfs/dbraw/zinc/15/21/58/327152158.db2.gz PKGMVYHMCLBTGS-INIZCTEOSA-N 0 3 364.449 2.420 10 0 FEAEHN CN(C)[C@@H](Cc1ccccc1)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000171674450 327154264 /nfs/dbraw/zinc/15/42/64/327154264.db2.gz ZUXQCECBVHDJEI-NRFANRHFSA-N 0 3 366.509 2.335 10 0 FEAEHN Cc1cc(C)n(C[C@H]2CN(C(=O)Nc3cccc(CN(C)C)c3)CCO2)n1 ZINC000171806781 327162701 /nfs/dbraw/zinc/16/27/01/327162701.db2.gz CTLHMJUVKWIKFW-LJQANCHMSA-N 0 3 371.485 2.494 10 0 FEAEHN COc1ccccc1N1CCC(NC(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000171905473 327169357 /nfs/dbraw/zinc/16/93/57/327169357.db2.gz DDSCVOCBMFBPMN-QGZVFWFLSA-N 0 3 358.486 2.154 10 0 FEAEHN CN(C(=O)NCCc1ccccc1)C1CCN(CCn2cccn2)CC1 ZINC000171969842 327173736 /nfs/dbraw/zinc/17/37/36/327173736.db2.gz NXCLAQMFHOCEGU-UHFFFAOYSA-N 0 3 355.486 2.232 10 0 FEAEHN C[C@@H](N[C@@H](C)c1cccs1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000172872733 327224133 /nfs/dbraw/zinc/22/41/33/327224133.db2.gz JTGRYNUAASSDEH-UONOGXRCSA-N 0 3 361.467 2.365 10 0 FEAEHN C[C@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)Oc1ccccc1Cl ZINC000173204035 327240955 /nfs/dbraw/zinc/24/09/55/327240955.db2.gz OTOBCFZNZQIAEG-ZIAGYGMSSA-N 0 3 355.866 2.079 10 0 FEAEHN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000173600166 327269971 /nfs/dbraw/zinc/26/99/71/327269971.db2.gz WHKCNVUSJJLBRU-ROUUACIJSA-N 0 3 351.466 2.365 10 0 FEAEHN CCc1nnc([C@H]2CN(C(=O)c3cccc(CN4CCCC4)c3)CCO2)[nH]1 ZINC000173612975 327271138 /nfs/dbraw/zinc/27/11/38/327271138.db2.gz YLTOTSMUWDZVJX-QGZVFWFLSA-N 0 3 369.469 2.177 10 0 FEAEHN CCc1nc([C@H]2CN(C(=O)c3cccc(CN4CCCC4)c3)CCO2)n[nH]1 ZINC000173612975 327271140 /nfs/dbraw/zinc/27/11/40/327271140.db2.gz YLTOTSMUWDZVJX-QGZVFWFLSA-N 0 3 369.469 2.177 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000173727365 327279478 /nfs/dbraw/zinc/27/94/78/327279478.db2.gz IEVUHOGNBFBKKX-HZPDHXFCSA-N 0 3 365.499 2.201 10 0 FEAEHN COCCN1CCC(NC(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000174360174 327322114 /nfs/dbraw/zinc/32/21/14/327322114.db2.gz PMGMGLNBVHAGDT-MRXNPFEDSA-N 0 3 371.485 2.343 10 0 FEAEHN CC(C)N1CCC(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000174530390 327332866 /nfs/dbraw/zinc/33/28/66/327332866.db2.gz XWZMVFUQUJWUQI-INIZCTEOSA-N 0 3 350.484 2.142 10 0 FEAEHN O[C@H](COCc1ccc(Cl)cc1)CN1CCN(C2CCOCC2)CC1 ZINC000175472080 327394754 /nfs/dbraw/zinc/39/47/54/327394754.db2.gz PXRJRXZJDFPUPX-IBGZPJMESA-N 0 3 368.905 2.014 10 0 FEAEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177434416 327522246 /nfs/dbraw/zinc/52/22/46/327522246.db2.gz FQWIVTUBGIFHGA-RBUKOAKNSA-N 0 3 355.486 2.230 10 0 FEAEHN C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2F)C[C@H]1N(C)C ZINC000253121500 328796256 /nfs/dbraw/zinc/79/62/56/328796256.db2.gz NBLIPCAWLCXCDW-JOYOIKCWSA-N 0 3 365.268 2.159 10 0 FEAEHN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C1(N)CCOCC1 ZINC000261762985 328817599 /nfs/dbraw/zinc/81/75/99/328817599.db2.gz GBJKROFDDBDGHM-JTQLQIEISA-N 0 3 359.239 2.143 10 0 FEAEHN CN(C)C[C@@H]1CN(CC(=O)N(Cc2ccco2)Cc2ccccc2)CCO1 ZINC000155354354 545516669 /nfs/dbraw/zinc/51/66/69/545516669.db2.gz OYGRZTFMXPELDY-HXUWFJFHSA-N 0 3 371.481 2.071 10 0 FEAEHN COc1c(CN2CCCN(Cc3ccc(OC)cc3)CC2)c(C)nn1C ZINC000156862089 545670732 /nfs/dbraw/zinc/67/07/32/545670732.db2.gz QIXUJYFWOQZWRA-UHFFFAOYSA-N 0 3 358.486 2.454 10 0 FEAEHN C[C@@H](C(=O)OC(C)(C)C)N(C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000158797599 545896030 /nfs/dbraw/zinc/89/60/30/545896030.db2.gz MXGIQRDAAMPRCR-RDJZCZTQSA-N 0 3 363.502 2.068 10 0 FEAEHN CCOc1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000159260588 545936498 /nfs/dbraw/zinc/93/64/98/545936498.db2.gz BFDRFSSVQRFNSX-IBGZPJMESA-N 0 3 354.450 2.234 10 0 FEAEHN O=[S@@](CCNC[C@@H](O)COc1ccccc1)c1ccc(Cl)cc1 ZINC000169345715 546159441 /nfs/dbraw/zinc/15/94/41/546159441.db2.gz HTMNZNNFZCIVGO-CMJOXMDJSA-N 0 3 353.871 2.477 10 0 FEAEHN Cc1[nH]c2ccccc2c1CCNC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000171206047 546196374 /nfs/dbraw/zinc/19/63/74/546196374.db2.gz FHWFHPYHCBJXQV-MRXNPFEDSA-N 0 3 358.486 2.165 10 0 FEAEHN COC(C)(C)C[C@@H](C)NC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000175963221 546380675 /nfs/dbraw/zinc/38/06/75/546380675.db2.gz MKHKKUYSRWINMU-MRXNPFEDSA-N 0 3 365.522 2.193 10 0 FEAEHN COc1cccc(F)c1[C@@H](C)NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000176014857 546391084 /nfs/dbraw/zinc/39/10/84/546391084.db2.gz NYQGPPPISCBAFX-ZIAGYGMSSA-N 0 3 353.438 2.041 10 0 FEAEHN CCNC(=O)COc1cccc(NC(=O)N(C)C[C@@H]2CCCN2CC)c1 ZINC000176289370 546427392 /nfs/dbraw/zinc/42/73/92/546427392.db2.gz LCXHNPFHTXYOEN-INIZCTEOSA-N 0 3 362.474 2.150 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C[C@@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000176983610 546518451 /nfs/dbraw/zinc/51/84/51/546518451.db2.gz SXJJEHDIJPVZFT-ROUUACIJSA-N 0 3 366.550 2.397 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 ZINC000177027308 546526334 /nfs/dbraw/zinc/52/63/34/546526334.db2.gz JNOMMRVFGWSXNQ-SFHVURJKSA-N 0 3 360.458 2.160 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000177036424 546528600 /nfs/dbraw/zinc/52/86/00/546528600.db2.gz ZJVCPRFBYOQYGJ-IBGZPJMESA-N 0 3 357.498 2.482 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000177044890 546530419 /nfs/dbraw/zinc/53/04/19/546530419.db2.gz SMHOKHHTQCVSQQ-CQSZACIVSA-N 0 3 364.877 2.426 10 0 FEAEHN C[C@@H]1CN(Cc2cccc(C(=O)N3CCCCC3)c2)C[C@@H]1N1CCOCC1 ZINC000177269466 546582777 /nfs/dbraw/zinc/58/27/77/546582777.db2.gz OVAYAVKGCZRYBV-NQIIRXRSSA-N 0 3 371.525 2.465 10 0 FEAEHN Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CCCn3ncnc32)CC1 ZINC000177344735 546597556 /nfs/dbraw/zinc/59/75/56/546597556.db2.gz FEYIEZPCDMPRGW-SFHVURJKSA-N 0 3 368.485 2.385 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000177519884 546636563 /nfs/dbraw/zinc/63/65/63/546636563.db2.gz XERLVVGWOBCGKG-MZNJEOGPSA-N 0 3 351.516 2.061 10 0 FEAEHN CNc1cc(N2CCC[C@H]2CNCc2ccccc2OCCOC)ncn1 ZINC000177577465 546647026 /nfs/dbraw/zinc/64/70/26/546647026.db2.gz QFMWBBOSBYAOSP-KRWDZBQOSA-N 0 3 371.485 2.302 10 0 FEAEHN O=C(NCc1ccc([O-])c(Br)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178267405 546766930 /nfs/dbraw/zinc/76/69/30/546766930.db2.gz YYNSBUUGOVHROT-LBPRGKRZSA-N 0 3 354.248 2.144 10 0 FEAEHN O=C(NCc1ccc([O-])c(Br)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000178267405 546766935 /nfs/dbraw/zinc/76/69/35/546766935.db2.gz YYNSBUUGOVHROT-LBPRGKRZSA-N 0 3 354.248 2.144 10 0 FEAEHN COc1cccc(CNC(=O)[C@H](C)N2CCC[C@H]2Cn2ccnc2C)c1 ZINC000178290936 546770614 /nfs/dbraw/zinc/77/06/14/546770614.db2.gz RVLBWWZFSRSCKO-YJBOKZPZSA-N 0 3 356.470 2.369 10 0 FEAEHN CC(=O)Nc1cccc(NC(=O)CN2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000178308900 546772850 /nfs/dbraw/zinc/77/28/50/546772850.db2.gz AGYCPGPFMLDHKC-GOSISDBHSA-N 0 3 355.442 2.253 10 0 FEAEHN CCOc1ccc(OC[C@H](O)CN2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000178319485 546774390 /nfs/dbraw/zinc/77/43/90/546774390.db2.gz LSEXLIGOHVMKOW-QZTJIDSGSA-N 0 3 359.470 2.495 10 0 FEAEHN COc1ccc(OC)c(NC(=O)CN2CCC[C@H]2Cn2ccnc2C)c1 ZINC000178748234 546842725 /nfs/dbraw/zinc/84/27/25/546842725.db2.gz CSAIOFNZCBWMNE-HNNXBMFYSA-N 0 3 358.442 2.312 10 0 FEAEHN COc1ccc(C[C@H](C)CNC(=O)N2CCN3CCC[C@@H]3C2)cc1OC ZINC000179654158 546992734 /nfs/dbraw/zinc/99/27/34/546992734.db2.gz PSRPCYHBVCWXLQ-DOTOQJQBSA-N 0 3 361.486 2.372 10 0 FEAEHN O=C(Nc1ccc(CN2C(=O)CCCC2=O)cc1)N1CCN2CCC[C@@H]2C1 ZINC000184163648 547778497 /nfs/dbraw/zinc/77/84/97/547778497.db2.gz WQLSQRIZAZTYIO-QGZVFWFLSA-N 0 3 370.453 2.038 10 0 FEAEHN Cc1ccnn1-c1ccccc1NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000184300308 547803651 /nfs/dbraw/zinc/80/36/51/547803651.db2.gz YGYHJNFWJXXTCR-INIZCTEOSA-N 0 3 371.485 2.212 10 0 FEAEHN CCO[C@@H]1C[C@@H](NCc2cnc(N3CCOCC3)s2)C12CCOCC2 ZINC000185662163 548016151 /nfs/dbraw/zinc/01/61/51/548016151.db2.gz VWNQLAHIZZIMMX-HZPDHXFCSA-N 0 3 367.515 2.044 10 0 FEAEHN O=C(NCCc1ccc(OCC(F)(F)F)nc1)N1CCN2CCC[C@@H]2C1 ZINC000186137455 548090863 /nfs/dbraw/zinc/09/08/63/548090863.db2.gz HKELRVKGVKTEAV-CQSZACIVSA-N 0 3 372.391 2.055 10 0 FEAEHN CCO[C@@H]1C[C@@H](NCc2nc(COc3ccccc3)n[nH]2)C12CCOCC2 ZINC000186424753 548132991 /nfs/dbraw/zinc/13/29/91/548132991.db2.gz YTLPRNFRTDIOQD-IAGOWNOFSA-N 0 3 372.469 2.448 10 0 FEAEHN CCc1nnc(NC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)s1 ZINC000190452226 548325475 /nfs/dbraw/zinc/32/54/75/548325475.db2.gz FBEUMMHPKZHAEL-AWEZNQCLSA-N 0 3 360.487 2.481 10 0 FEAEHN O=C(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)C1CCC(O)CC1 ZINC000194367771 548472096 /nfs/dbraw/zinc/47/20/96/548472096.db2.gz GWEAEPXYBRYQPC-SOAGJPPSSA-N 0 3 360.498 2.099 10 0 FEAEHN Cc1ccn(CC(=O)NC[C@H]2CCCCN2Cc2ccccc2)c(=O)c1 ZINC000194495749 548490833 /nfs/dbraw/zinc/49/08/33/548490833.db2.gz IAQXTCYATHWUIU-LJQANCHMSA-N 0 3 353.466 2.328 10 0 FEAEHN Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)c(Br)c1 ZINC000228129730 548753572 /nfs/dbraw/zinc/75/35/72/548753572.db2.gz AVEMZIUBMPIPQN-YPMHNXCESA-N 0 3 361.305 2.328 10 0 FEAEHN C[C@H](N[C@H]1Cc2ccccc2[C@H]1O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000245418553 548912903 /nfs/dbraw/zinc/91/29/03/548912903.db2.gz AWRVVEXJOGSKSS-FASAQXTFSA-N 0 3 360.479 2.246 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C[C@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000245435649 548918993 /nfs/dbraw/zinc/91/89/93/548918993.db2.gz SXJJEHDIJPVZFT-MSOLQXFVSA-N 0 3 366.550 2.397 10 0 FEAEHN Cc1cc(NC(=O)CN2CCN3CCC[C@H]3C2)ccc1Br ZINC000245474594 548931445 /nfs/dbraw/zinc/93/14/45/548931445.db2.gz RBZQMBGHVFBHGS-AWEZNQCLSA-N 0 3 352.276 2.476 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](N[C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245636834 548963034 /nfs/dbraw/zinc/96/30/34/548963034.db2.gz AGNWAKBCLAYLSU-DFBGVHRSSA-N 0 3 354.292 2.294 10 0 FEAEHN C[C@H]1CN(Cc2ccc(Oc3cnccn3)cc2)C[C@H]1N1CCOCC1 ZINC000245738281 548986250 /nfs/dbraw/zinc/98/62/50/548986250.db2.gz LGMIYLPKHXTCHG-QFBILLFUSA-N 0 3 354.454 2.421 10 0 FEAEHN COc1cc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)c(SC)cc1OC ZINC000245759997 548989944 /nfs/dbraw/zinc/98/99/44/548989944.db2.gz PNPPBIGZOVCFKD-KBPBESRZSA-N 0 3 354.516 2.313 10 0 FEAEHN CC[C@H]1CN(C[C@@H](O)COCc2ccccc2Cl)CCN1CCOC ZINC000246259686 549091886 /nfs/dbraw/zinc/09/18/86/549091886.db2.gz GCWQBDDMUCFGEA-ZWKOTPCHSA-N 0 3 370.921 2.260 10 0 FEAEHN CN(CCNc1cc(N2CCC[C@H]2CO)ncn1)Cc1ccc(F)cc1 ZINC000246334199 549109185 /nfs/dbraw/zinc/10/91/85/549109185.db2.gz BTRZFCNCEQFKTJ-KRWDZBQOSA-N 0 3 359.449 2.121 10 0 FEAEHN CCOc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1F ZINC000246348185 549111015 /nfs/dbraw/zinc/11/10/15/549111015.db2.gz HPTNZDYHQIWTCC-IUODEOHRSA-N 0 3 351.422 2.008 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000246348133 549111778 /nfs/dbraw/zinc/11/17/78/549111778.db2.gz HPTGDSRVRJSPET-BXUZGUMPSA-N 0 3 357.376 2.489 10 0 FEAEHN CC[C@H]1CN(C[C@@H](O)COc2cc(C)cc(C)c2)CCN1CCOC ZINC000246367558 549116374 /nfs/dbraw/zinc/11/63/74/549116374.db2.gz NTDMQJDIJFELMR-RBUKOAKNSA-N 0 3 350.503 2.086 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2OCC2CC2)C1 ZINC000246561867 549162932 /nfs/dbraw/zinc/16/29/32/549162932.db2.gz WTULYXOUOBGPCV-WMLDXEAASA-N 0 3 359.470 2.259 10 0 FEAEHN C[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)N1CCOCC1 ZINC000246938509 549246819 /nfs/dbraw/zinc/24/68/19/549246819.db2.gz JNBWWEMTAQZLDT-RBUKOAKNSA-N 0 3 374.529 2.013 10 0 FEAEHN CC[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)N(C)C)CCN1CCOC ZINC000247075147 549277920 /nfs/dbraw/zinc/27/79/20/549277920.db2.gz LBIUSZVWPJTPPL-RTBURBONSA-N 0 3 362.518 2.042 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N(C)Cc2ccccc2N2CCOCC2)C1 ZINC000247358934 549324497 /nfs/dbraw/zinc/32/44/97/549324497.db2.gz OLDJTTWQUJIRRL-PKOBYXMFSA-N 0 3 374.529 2.393 10 0 FEAEHN CSCC[C@@H](NC(=O)N1CCN2CCC[C@H]2C1)c1nnc2ccccn21 ZINC000247598765 549365051 /nfs/dbraw/zinc/36/50/51/549365051.db2.gz TWBKUTDJUGXKKW-LSDHHAIUSA-N 0 3 374.514 2.013 10 0 FEAEHN Cc1nc(C)n(C[C@H]2CCCN(CC(=O)N([C@H](C)C3CC3)C3CC3)C2)n1 ZINC000247769419 549377318 /nfs/dbraw/zinc/37/73/18/549377318.db2.gz ORXZRUNLFQACGO-PBHICJAKSA-N 0 3 359.518 2.396 10 0 FEAEHN Cc1nc(C)n(C[C@H]2CCCN(C[C@@H](O)COc3ccc(F)cc3)C2)n1 ZINC000247774242 549378416 /nfs/dbraw/zinc/37/84/16/549378416.db2.gz QDTRAFAEAKSQAS-FUHWJXTLSA-N 0 3 362.449 2.186 10 0 FEAEHN CC[C@@H]1CN(C[C@@H](O)COc2c(C)ccc(C)c2C)CCN1C[C@H](C)O ZINC000247818134 549384417 /nfs/dbraw/zinc/38/44/17/549384417.db2.gz WOZCTPBSDLQVEP-DFQSSKMNSA-N 0 3 364.530 2.129 10 0 FEAEHN CCOCCN1CCN(C[C@H](O)COCc2ccc(Cl)cc2)C[C@H]1C ZINC000247880392 549389793 /nfs/dbraw/zinc/38/97/93/549389793.db2.gz ZGNAVLCZCMQDCC-APWZRJJASA-N 0 3 370.921 2.260 10 0 FEAEHN Cc1nc(COc2cccc(C(=O)N[C@@H]3CN(C(C)C)C[C@H]3C)c2)no1 ZINC000248132142 549409488 /nfs/dbraw/zinc/40/94/88/549409488.db2.gz WRVOFAWURVNMSV-CXAGYDPISA-N 0 3 358.442 2.416 10 0 FEAEHN CC(C)c1nnc2n1C[C@H](NC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)CC2 ZINC000248420199 549433991 /nfs/dbraw/zinc/43/39/91/549433991.db2.gz WJFYPWLALQZFGV-OWCLPIDISA-N 0 3 362.522 2.136 10 0 FEAEHN CN(Cc1ccccc1)[C@H](CNC(=O)N[C@H]1CCCn2ncnc21)C1CC1 ZINC000248556811 549457669 /nfs/dbraw/zinc/45/76/69/549457669.db2.gz LMYJCTJQJFLQLO-ZWKOTPCHSA-N 0 3 368.485 2.323 10 0 FEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(CC(=O)N[C@H](C)C(C)C)C1 ZINC000248640282 549473750 /nfs/dbraw/zinc/47/37/50/549473750.db2.gz BTGKFHDLMWZWCC-ZBFHGGJFSA-N 0 3 352.548 2.366 10 0 FEAEHN CCCCN(C)S(=O)(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000248656625 549478630 /nfs/dbraw/zinc/47/86/30/549478630.db2.gz DNQNPQLAWMPHNN-HNNXBMFYSA-N 0 3 374.576 2.182 10 0 FEAEHN COCCN(C)c1ccc(CN(C)[C@H]2CCCN(c3cccnn3)C2)cn1 ZINC000248827441 549508232 /nfs/dbraw/zinc/50/82/32/549508232.db2.gz HHWGSHSWGMUDFE-SFHVURJKSA-N 0 3 370.501 2.055 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(N2C[C@@H](C)O[C@H](C)C2)ccn1 ZINC000248846537 549512679 /nfs/dbraw/zinc/51/26/79/549512679.db2.gz UFPIVQFFYNQIPV-JFIYKMOQSA-N 0 3 360.502 2.252 10 0 FEAEHN C[C@H](NC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)[C@@H]1CCCO1 ZINC000248879485 549520178 /nfs/dbraw/zinc/52/01/78/549520178.db2.gz PQYXFOHWISWQPX-IHPCNDPISA-N 0 3 374.529 2.232 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1N1CCCC1 ZINC000249166354 549564255 /nfs/dbraw/zinc/56/42/55/549564255.db2.gz KEZMHWJOQJJCFH-IRXDYDNUSA-N 0 3 370.497 2.311 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000249187079 549566888 /nfs/dbraw/zinc/56/68/88/549566888.db2.gz OIPKZINIZNIZFW-CABCVRRESA-N 0 3 356.426 2.160 10 0 FEAEHN CC[C@H]1CN(Cc2cnn(Cc3ccc(F)cc3)c2)CCN1C[C@H](C)O ZINC000249499032 549596355 /nfs/dbraw/zinc/59/63/55/549596355.db2.gz HGYSTUNAILCZTG-JXFKEZNVSA-N 0 3 360.477 2.348 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)[C@H]2Cc3ccccc3O2)C1 ZINC000251721659 549653350 /nfs/dbraw/zinc/65/33/50/549653350.db2.gz LSHSXESEFBTTJU-YLJYHZDGSA-N 0 3 351.450 2.366 10 0 FEAEHN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)[C@@H](N)C2CCOCC2)cc1 ZINC000261842051 549761729 /nfs/dbraw/zinc/76/17/29/549761729.db2.gz QRQAZINWQXNDOA-PMACEKPBSA-N 0 3 360.498 2.299 10 0 FEAEHN O=C(CN1CCNC[C@H]1c1cccnc1)Nc1nc2c(s1)CCCC2 ZINC000261868389 549763947 /nfs/dbraw/zinc/76/39/47/549763947.db2.gz XERQPZMGZMQIEQ-HNNXBMFYSA-N 0 3 357.483 2.002 10 0 FEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000262205949 549798475 /nfs/dbraw/zinc/79/84/75/549798475.db2.gz WXAQSUPJGULAMG-SLEUVZQESA-N 0 3 352.866 2.286 10 0 FEAEHN O=C([C@@H]1CC(F)(F)CN1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000262954806 549865649 /nfs/dbraw/zinc/86/56/49/549865649.db2.gz KCUOYOBIZGFLDB-PKOBYXMFSA-N 0 3 363.452 2.498 10 0 FEAEHN Cc1noc(C)c1COc1cccc(-c2nc([C@H]3CNCCN3C)no2)c1 ZINC000263167195 549883029 /nfs/dbraw/zinc/88/30/29/549883029.db2.gz FHPVVPJAXIRWIB-QGZVFWFLSA-N 0 3 369.425 2.497 10 0 FEAEHN CN(C)[C@@H](c1nc([C@H]2CNCCN2C)no1)c1c(F)cccc1Cl ZINC000263284670 549891828 /nfs/dbraw/zinc/89/18/28/549891828.db2.gz UUPMPQBRVBXFTK-TZMCWYRMSA-N 0 3 353.829 2.089 10 0 FEAEHN CC(C)n1cc([C@]2(O)CCCN(CCc3ccc4c(c3)CCO4)C2)nn1 ZINC000284772177 551629489 /nfs/dbraw/zinc/62/94/89/551629489.db2.gz ZKQUTBLJPFPSEE-FQEVSTJZSA-N 0 3 356.470 2.320 10 0 FEAEHN C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)[C@@H]1C ZINC000375469055 558032811 /nfs/dbraw/zinc/03/28/11/558032811.db2.gz LGEWHBDHWNTHNV-AFFULRRLSA-N 0 3 352.519 2.179 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)C1 ZINC000109395735 670841056 /nfs/dbraw/zinc/84/10/56/670841056.db2.gz ASBRUAQLDFNYMU-GJZGRUSLSA-N 0 3 354.495 2.122 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@H](C)C(=O)Nc1cccnc1Cl)CC2 ZINC000112551905 670873201 /nfs/dbraw/zinc/87/32/01/670873201.db2.gz KKTDORBFLBOKHT-NEPJUHHUSA-N 0 3 362.865 2.382 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)C1 ZINC000116535526 670905988 /nfs/dbraw/zinc/90/59/88/670905988.db2.gz DHCKHWFXLMRNPE-INIZCTEOSA-N 0 3 365.909 2.047 10 0 FEAEHN COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCC[C@H]1C[NH3+] ZINC000124517954 671998689 /nfs/dbraw/zinc/99/86/89/671998689.db2.gz NOHKRGRIFWNYCL-CMPLNLGQSA-N 0 3 368.480 2.094 10 0 FEAEHN C[C@H]1CN(CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CCS1 ZINC000171695090 672334817 /nfs/dbraw/zinc/33/48/17/672334817.db2.gz MQNGUVTYPNOANN-NSHDSACASA-N 0 3 367.540 2.492 10 0 FEAEHN CC(C)(C)OC(=O)NC[C@@H]1CCCN1C[C@H](O)COc1ccccc1 ZINC000174237105 672359133 /nfs/dbraw/zinc/35/91/33/672359133.db2.gz RUINVAVEXGSMRE-HOTGVXAUSA-N 0 3 350.459 2.415 10 0 FEAEHN CCc1nn(C)cc1CN1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190585017 672644412 /nfs/dbraw/zinc/64/44/12/672644412.db2.gz RTDFBGCMMZTVLD-UHFFFAOYSA-N 0 3 350.507 2.220 10 0 FEAEHN O=C([C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)N1CCC[C@H](O)C1 ZINC000192152590 672683060 /nfs/dbraw/zinc/68/30/60/672683060.db2.gz JGNMOFIOVRBAPC-ARFHVFGLSA-N 0 3 356.388 2.280 10 0 FEAEHN COC(=O)c1cc(CNC[C@H](C)N(C)C(=O)OC(C)(C)C)n(C)c1C ZINC000310714751 673025626 /nfs/dbraw/zinc/02/56/26/673025626.db2.gz MZRVKYWPOYWZBN-LBPRGKRZSA-N 0 3 353.463 2.465 10 0 FEAEHN O=C(Nc1cc(Br)ccc1[O-])[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653134381 677517123 /nfs/dbraw/zinc/51/71/23/677517123.db2.gz XKWQYLOSFKYBQV-HTQZYQBOSA-N 0 3 353.138 2.491 10 0 FEAEHN CC(=O)N1C[C@H](NCc2cccc3c2OCCO3)CC[C@H]1C(F)(F)F ZINC000886063014 688198903 /nfs/dbraw/zinc/19/89/03/688198903.db2.gz FIHBJHNNVZCWKB-HIFRSBDPSA-N 0 3 358.360 2.489 10 0 FEAEHN C[C@H](OCCCNC(=O)NC[C@H](O)CN1CCCCC1)c1ccccc1 ZINC000049174650 540383599 /nfs/dbraw/zinc/38/35/99/540383599.db2.gz HKWPSHJPLQEVAS-HKUYNNGSSA-N 0 3 363.502 2.300 10 0 FEAEHN O=C(NCc1coc(-c2cccs2)n1)NC[C@@H](O)CN1CCCCC1 ZINC000049189077 540383970 /nfs/dbraw/zinc/38/39/70/540383970.db2.gz YHVVHCQIGTWDMC-CQSZACIVSA-N 0 3 364.471 2.049 10 0 FEAEHN Cc1cccc(C)c1OC[C@H](C)NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000056959825 540757932 /nfs/dbraw/zinc/75/79/32/540757932.db2.gz OIVHGNAVNHJGDA-ZWKOTPCHSA-N 0 3 363.502 2.217 10 0 FEAEHN CN(C)C[C@@H](NC(=O)NCCC(=O)NC1CCCCC1)c1ccccc1 ZINC000057178205 540776659 /nfs/dbraw/zinc/77/66/59/540776659.db2.gz NBIJPJQFCCDCPO-GOSISDBHSA-N 0 3 360.502 2.428 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)C1 ZINC000057870516 540820260 /nfs/dbraw/zinc/82/02/60/540820260.db2.gz YKCHIJOTWMPYFK-LJQANCHMSA-N 0 3 372.513 2.337 10 0 FEAEHN COc1cccc(Cl)c1CNC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000328627103 223121173 /nfs/dbraw/zinc/12/11/73/223121173.db2.gz MIUSTWZBBVHMLN-KPZWWZAWSA-N 0 3 362.861 2.391 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCCc1cccc(C(=O)N(C)C)c1 ZINC000073722435 541990738 /nfs/dbraw/zinc/99/07/38/541990738.db2.gz KGHSJQJTOHXHTC-GOSISDBHSA-N 0 3 362.518 2.206 10 0 FEAEHN COCCN(CCN(C)C)C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000074875652 542132685 /nfs/dbraw/zinc/13/26/85/542132685.db2.gz NZYCRICLEXUMHQ-MRXNPFEDSA-N 0 3 359.474 2.153 10 0 FEAEHN CN(Cc1csc(Br)c1)S(=O)(=O)C[C@H]1CCCCN1 ZINC000042366347 220937414 /nfs/dbraw/zinc/93/74/14/220937414.db2.gz MEXZIZNYSSTEMB-LLVKDONJSA-N 0 3 367.334 2.414 10 0 FEAEHN C[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C[C@H](C)O1 ZINC000080197136 542573586 /nfs/dbraw/zinc/57/35/86/542573586.db2.gz CHUKLAQNPVGFKT-HOTGVXAUSA-N 0 3 359.470 2.247 10 0 FEAEHN O=C1C(=O)N(Cc2cccc(F)c2F)c2cccc(N3CCNCC3)c21 ZINC000034886593 132378003 /nfs/dbraw/zinc/37/80/03/132378003.db2.gz MIWGCQRRDLCJAP-UHFFFAOYSA-N 0 3 357.360 2.104 10 0 FEAEHN CN(C)CCn1ccnc1C1CCN(C(=O)c2noc3c2CCCC3)CC1 ZINC000095528873 542981967 /nfs/dbraw/zinc/98/19/67/542981967.db2.gz MQAOLXQQEKJNGI-UHFFFAOYSA-N 0 3 371.485 2.331 10 0 FEAEHN CN(CC(=O)N(C)C1CCCCC1)C1CCN(CCn2cccn2)CC1 ZINC000106129981 543206165 /nfs/dbraw/zinc/20/61/65/543206165.db2.gz LYJVNYISNLCTIP-UHFFFAOYSA-N 0 3 361.534 2.070 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)COc2c(C)ccc(C)c2C)CCN1CCOC ZINC000106113204 543200995 /nfs/dbraw/zinc/20/09/95/543200995.db2.gz MDWVHQXFCIEOHM-UXHICEINSA-N 0 3 364.530 2.394 10 0 FEAEHN CN(C)C[C@@H](NC(=O)NCCn1c2ccccc2oc1=O)c1ccccc1 ZINC000106522595 543233068 /nfs/dbraw/zinc/23/30/68/543233068.db2.gz HNKJQHNLHNCCJW-MRXNPFEDSA-N 0 3 368.437 2.197 10 0 FEAEHN CCN1CCN([C@H](C)CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000109151360 543316448 /nfs/dbraw/zinc/31/64/48/543316448.db2.gz GTJGHJCZDUJYFP-FVQBIDKESA-N 0 3 351.441 2.211 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](N[C@@H](C)C(=O)NCc1ccc(F)cc1)CC2 ZINC000112552084 543451987 /nfs/dbraw/zinc/45/19/87/543451987.db2.gz IHHWFYBOBHTGHJ-XJKSGUPXSA-N 0 3 359.449 2.150 10 0 FEAEHN C[C@H](NC(=O)Nc1ccccc1)C(=O)N(CCN(C)C)Cc1ccccn1 ZINC000112906832 543467112 /nfs/dbraw/zinc/46/71/12/543467112.db2.gz GBPWJMZDKKJYDU-INIZCTEOSA-N 0 3 369.469 2.182 10 0 FEAEHN CN(C(=O)CCCc1ccccn1)C1CCN(CCn2cccn2)CC1 ZINC000112910744 543467174 /nfs/dbraw/zinc/46/71/74/543467174.db2.gz RNJSZNXTKFGAAS-UHFFFAOYSA-N 0 3 355.486 2.224 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000247459779 549336183 /nfs/dbraw/zinc/33/61/83/549336183.db2.gz QRRDLOIWMAZGBQ-NEWSRXKRSA-N 0 3 355.482 2.234 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000114589102 543525057 /nfs/dbraw/zinc/52/50/57/543525057.db2.gz PREHOBCKOFTLRJ-CYBMUJFWSA-N 0 3 370.435 2.190 10 0 FEAEHN CN(C)C[C@H]1CN([C@@H]2CCCN(c3ccccc3Cl)C2=O)CCO1 ZINC000119302721 543665871 /nfs/dbraw/zinc/66/58/71/543665871.db2.gz XVNCJMIPXIOXOW-WMLDXEAASA-N 0 3 351.878 2.098 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000122652120 543715890 /nfs/dbraw/zinc/71/58/90/543715890.db2.gz POWXJMOZUVWJHH-ZIAGYGMSSA-N 0 3 352.429 2.327 10 0 FEAEHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000124227848 543808624 /nfs/dbraw/zinc/80/86/24/543808624.db2.gz YXHVHVOQRUEULS-AWEZNQCLSA-N 0 3 368.478 2.328 10 0 FEAEHN CCc1ccc([C@H](C)N[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000126269182 543927485 /nfs/dbraw/zinc/92/74/85/543927485.db2.gz PCYYATCUELOJIE-DLBZAZTESA-N 0 3 367.497 2.427 10 0 FEAEHN C[C@H](CNC(=O)N[C@@H]1CCCc2cc(F)ccc21)CN1CCN(C)CC1 ZINC000129076839 544089395 /nfs/dbraw/zinc/08/93/95/544089395.db2.gz MFJXFCOSPFLYAY-DNVCBOLYSA-N 0 3 362.493 2.386 10 0 FEAEHN CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@H](CO)Cc1ccccc1 ZINC000131518154 544193297 /nfs/dbraw/zinc/19/32/97/544193297.db2.gz RCWCPLJBUOQQSO-SFHVURJKSA-N 0 3 372.513 2.073 10 0 FEAEHN c1cc(CN2CCN([C@@H]3CCOC4(CCOCC4)C3)CC2)cc2c1OCO2 ZINC000082087391 221697372 /nfs/dbraw/zinc/69/73/72/221697372.db2.gz URAMCSHHRKZWNQ-GOSISDBHSA-N 0 3 374.481 2.261 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N(C)Cc2ccc([S@](C)=O)cc2)C1 ZINC000132250329 544224220 /nfs/dbraw/zinc/22/42/20/544224220.db2.gz KQJPLRMAKBELOU-DJJPGOOVSA-N 0 3 351.516 2.294 10 0 FEAEHN C[C@@H](O)CN1CCN(CCC(=O)Nc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000137127706 544385020 /nfs/dbraw/zinc/38/50/20/544385020.db2.gz VDMHUNSVXWJHCQ-UONOGXRCSA-N 0 3 373.419 2.421 10 0 FEAEHN FC(F)(F)c1ccc(-n2nnnc2CN2CCN3CCCC[C@@H]3C2)cc1 ZINC000146706113 544441441 /nfs/dbraw/zinc/44/14/41/544441441.db2.gz WQFPMQRWLKKZLN-OAHLLOKOSA-N 0 3 366.391 2.351 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)C1 ZINC000150801868 544473662 /nfs/dbraw/zinc/47/36/62/544473662.db2.gz CDVDFCOCVBLWTN-WBMJQRKESA-N 0 3 370.453 2.489 10 0 FEAEHN COc1cc(Cl)c(C)cc1NC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000150806197 544474568 /nfs/dbraw/zinc/47/45/68/544474568.db2.gz DTRMDNLMCPUYLK-SWLSCSKDSA-N 0 3 367.877 2.440 10 0 FEAEHN CC(C)(C)c1nc(CCNC(=O)NC[C@@H](O)CN2CCCCC2)cs1 ZINC000153796463 544825088 /nfs/dbraw/zinc/82/50/88/544825088.db2.gz LKKGZWQTUSTAGM-OAHLLOKOSA-N 0 3 368.547 2.129 10 0 FEAEHN COc1ccccc1N1CC[C@@H](N2CCC[C@H]2Cn2ccnc2C)C1=O ZINC000154126176 544867229 /nfs/dbraw/zinc/86/72/29/544867229.db2.gz XRDYZOQEURDAHH-FUHWJXTLSA-N 0 3 354.454 2.470 10 0 FEAEHN COCCn1ccc2ccc(NC(=O)NC[C@H](O)CN3CCCCC3)cc21 ZINC000179440409 327643309 /nfs/dbraw/zinc/64/33/09/327643309.db2.gz ZEUKVDRVEJJOAZ-SFHVURJKSA-N 0 3 374.485 2.256 10 0 FEAEHN Cc1cccnc1/C=C/C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000183656130 327829029 /nfs/dbraw/zinc/82/90/29/327829029.db2.gz LNFCUEBPVFLZQN-VQHVLOKHSA-N 0 3 365.481 2.209 10 0 FEAEHN CCN(CCO)CCNC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000187118642 328003049 /nfs/dbraw/zinc/00/30/49/328003049.db2.gz RKSQRMNKGLXVCO-LBPRGKRZSA-N 0 3 358.280 2.124 10 0 FEAEHN CCCCOc1ccc(NC(=O)NC[C@H](O)CN2CCCCC2)cn1 ZINC000187906394 328053841 /nfs/dbraw/zinc/05/38/41/328053841.db2.gz BBLSJABJSGKYHR-INIZCTEOSA-N 0 3 350.463 2.229 10 0 FEAEHN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000188036178 328061918 /nfs/dbraw/zinc/06/19/18/328061918.db2.gz LAGCHRQVIWDVOF-DOMZBBRYSA-N 0 3 360.376 2.262 10 0 FEAEHN Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H](N(C)C)C2)cc1Br ZINC000188087936 328065014 /nfs/dbraw/zinc/06/50/14/328065014.db2.gz FKUWNMAGKKNDJD-LBPRGKRZSA-N 0 3 368.275 2.167 10 0 FEAEHN C[C@H]1OCCC[C@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000188529772 328093188 /nfs/dbraw/zinc/09/31/88/328093188.db2.gz QMYKQXYSDHOEDQ-UYAOXDASSA-N 0 3 359.514 2.126 10 0 FEAEHN Cc1ccc(CC(=O)NC[C@H](O)CN2CCCCC2)cc1Br ZINC000188563341 328095395 /nfs/dbraw/zinc/09/53/95/328095395.db2.gz DSSIODCLBMHOHS-HNNXBMFYSA-N 0 3 369.303 2.263 10 0 FEAEHN CCc1nc2n(n1)C[C@H](NCc1cnn(Cc3ccc(F)cc3)c1)CC2 ZINC000189166072 328132723 /nfs/dbraw/zinc/13/27/23/328132723.db2.gz OICCGRJIUVHDBE-QGZVFWFLSA-N 0 3 354.433 2.329 10 0 FEAEHN COc1ccc(Cn2ccc(NC(=O)N3CCN4CCC[C@H]4C3)n2)cc1 ZINC000189859622 328171936 /nfs/dbraw/zinc/17/19/36/328171936.db2.gz XWXTZFMOMROABN-INIZCTEOSA-N 0 3 355.442 2.252 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2-n2cccn2)CCO1 ZINC000189919377 328175943 /nfs/dbraw/zinc/17/59/43/328175943.db2.gz IARRBAOKXNRCCY-CQSZACIVSA-N 0 3 363.849 2.320 10 0 FEAEHN CC[C@H](C)Oc1ccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1 ZINC000190104254 328188478 /nfs/dbraw/zinc/18/84/78/328188478.db2.gz JFBTXUYHPXDNET-YQQAZPJKSA-N 0 3 359.470 2.498 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000190170468 328192408 /nfs/dbraw/zinc/19/24/08/328192408.db2.gz CRKGGVIJVYNWMP-CHWSQXEVSA-N 0 3 372.512 2.090 10 0 FEAEHN COc1ccc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c([O-])c1 ZINC000190614775 328219739 /nfs/dbraw/zinc/21/97/39/328219739.db2.gz YYUZJKBPVCBIPX-MRXNPFEDSA-N 0 3 355.438 2.390 10 0 FEAEHN COc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c([O-])c1 ZINC000190614775 328219741 /nfs/dbraw/zinc/21/97/41/328219741.db2.gz YYUZJKBPVCBIPX-MRXNPFEDSA-N 0 3 355.438 2.390 10 0 FEAEHN CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccc(CO)o2)CC1 ZINC000190852771 328236085 /nfs/dbraw/zinc/23/60/85/328236085.db2.gz OAHPXEGORBFUFW-OAHLLOKOSA-N 0 3 352.475 2.400 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Cc2ccc(I)cc2)C1 ZINC000190900147 328239121 /nfs/dbraw/zinc/23/91/21/328239121.db2.gz XENZJLGARWAXPE-CQSZACIVSA-N 0 3 372.250 2.434 10 0 FEAEHN CN1C(=O)C[C@H](NC[C@@H](O)COC(C)(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000192151994 328303122 /nfs/dbraw/zinc/30/31/22/328303122.db2.gz BRMBBUIXVYHCQW-HLLBOEOZSA-N 0 3 354.878 2.377 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000192708728 328334704 /nfs/dbraw/zinc/33/47/04/328334704.db2.gz LHSBGTLMYJBIDM-ZDUSSCGKSA-N 0 3 366.531 2.443 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)CC2CCCC2)C1 ZINC000192940696 328348057 /nfs/dbraw/zinc/34/80/57/328348057.db2.gz FHPXYXRWARSSIF-GOSISDBHSA-N 0 3 351.516 2.355 10 0 FEAEHN CCc1nc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2CC)sc1C ZINC000193415207 328374140 /nfs/dbraw/zinc/37/41/40/328374140.db2.gz HOARDLCHVVTYMD-QWHCGFSZSA-N 0 3 350.488 2.038 10 0 FEAEHN O=S(=O)(N[C@@H]1CNCC[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000193441819 328375719 /nfs/dbraw/zinc/37/57/19/328375719.db2.gz UXOSXISLBCOXBE-RHSMWYFYSA-N 0 3 352.406 2.389 10 0 FEAEHN O=C(NCC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)c1ccccc1 ZINC000194367812 328421403 /nfs/dbraw/zinc/42/14/03/328421403.db2.gz CIPASUACQMQSET-FQEVSTJZSA-N 0 3 366.461 2.431 10 0 FEAEHN CCOC(=O)C1CCN(C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000003865282 324344941 /nfs/dbraw/zinc/34/49/41/324344941.db2.gz BUEKUJJNESJHIZ-QGZVFWFLSA-N 0 3 355.862 2.493 10 0 FEAEHN CCC[C@H](N)C(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 ZINC000236959460 328499379 /nfs/dbraw/zinc/49/93/79/328499379.db2.gz SVQUKYFKOLIDTD-LBPRGKRZSA-N 0 3 368.484 2.248 10 0 FEAEHN O=C(C1CCN(C[C@@H](O)COCc2ccccc2)CC1)N1CCCCC1 ZINC000057943093 324832292 /nfs/dbraw/zinc/83/22/92/324832292.db2.gz XUAZUONXMKUNDQ-HXUWFJFHSA-N 0 3 360.498 2.289 10 0 FEAEHN COc1ccc(N2C[C@H](C(=O)N[C@H](CC(C)C)CN(C)C)CC2=O)cc1 ZINC000077730310 325009544 /nfs/dbraw/zinc/00/95/44/325009544.db2.gz LCUJQIZEFMBUFD-HZPDHXFCSA-N 0 3 361.486 2.141 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NC1CCN(C(=O)c2ccco2)CC1 ZINC000079068038 325074594 /nfs/dbraw/zinc/07/45/94/325074594.db2.gz OLAWTZCGCRRKHH-MRXNPFEDSA-N 0 3 364.490 2.160 10 0 FEAEHN CN(C)CCN1CCC(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000079089508 325076074 /nfs/dbraw/zinc/07/60/74/325076074.db2.gz DZUYIFVRJXDQGE-HIFRSBDPSA-N 0 3 364.456 2.433 10 0 FEAEHN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000083741751 325224033 /nfs/dbraw/zinc/22/40/33/325224033.db2.gz MECINTMGLXSZLQ-KRWDZBQOSA-N 0 3 372.473 2.320 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000089505942 325320119 /nfs/dbraw/zinc/32/01/19/325320119.db2.gz BPSZEIBEDJORRG-ZIFCJYIRSA-N 0 3 363.477 2.438 10 0 FEAEHN C[C@@H](CNC(=O)N1CC[C@@H](c2cnn(C)c2)C1)N(C)Cc1ccccc1 ZINC000116431783 326014524 /nfs/dbraw/zinc/01/45/24/326014524.db2.gz XKDYJXDJPSZLAN-FUHWJXTLSA-N 0 3 355.486 2.440 10 0 FEAEHN Cc1ccccc1-n1nc(C(=O)N2CCO[C@@H](CN(C)C)C2)c2c1CCC2 ZINC000116784870 326035352 /nfs/dbraw/zinc/03/53/52/326035352.db2.gz ISKRVSBNTYMNRT-INIZCTEOSA-N 0 3 368.481 2.072 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2csc(Cc3ccc(F)cc3)n2)CCO1 ZINC000116793152 326035724 /nfs/dbraw/zinc/03/57/24/326035724.db2.gz QBZJTDXULQJYNX-OAHLLOKOSA-N 0 3 363.458 2.276 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)CCO1 ZINC000116790785 326036022 /nfs/dbraw/zinc/03/60/22/326036022.db2.gz UACFDDIEJDLORK-QGZVFWFLSA-N 0 3 366.889 2.177 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N[C@@H]2CCCN(c3cccc(OC)c3)C2)C1 ZINC000117483645 326062817 /nfs/dbraw/zinc/06/28/17/326062817.db2.gz NZWXPVMBKJDQNT-DLBZAZTESA-N 0 3 360.502 2.448 10 0 FEAEHN Cc1cnn(CCNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1 ZINC000118067883 326078892 /nfs/dbraw/zinc/07/88/92/326078892.db2.gz JNORWBGMWIDONN-MRXNPFEDSA-N 0 3 361.515 2.464 10 0 FEAEHN COc1ccc2nc(NC(=O)N3CCO[C@@H](CN(C)C)C3)sc2c1 ZINC000118786481 326102763 /nfs/dbraw/zinc/10/27/63/326102763.db2.gz TULGZGITFVTQQP-LBPRGKRZSA-N 0 3 350.444 2.099 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)CCO1 ZINC000118807028 326103576 /nfs/dbraw/zinc/10/35/76/326103576.db2.gz WWZNGMDTJMFQHI-SFHVURJKSA-N 0 3 374.485 2.153 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)CCO1 ZINC000118807779 326103774 /nfs/dbraw/zinc/10/37/74/326103774.db2.gz QOJRGKKAYMRXMV-AWEZNQCLSA-N 0 3 368.428 2.359 10 0 FEAEHN CC[C@@H](C)NC(=O)c1ccc(NC(=O)N2CCO[C@@H](CN(C)C)C2)cc1 ZINC000118810679 326104550 /nfs/dbraw/zinc/10/45/50/326104550.db2.gz SLCLGKBWCRRLKN-PBHICJAKSA-N 0 3 362.474 2.009 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000118881478 326110117 /nfs/dbraw/zinc/11/01/17/326110117.db2.gz FUKKSBWIEFCKLA-FQEVSTJZSA-N 0 3 360.546 2.140 10 0 FEAEHN CC(=O)N(C)C1CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000119809379 326200098 /nfs/dbraw/zinc/20/00/98/326200098.db2.gz YIUIWAHQFOZQGY-SFHVURJKSA-N 0 3 354.878 2.160 10 0 FEAEHN O=C(N[C@@H]1CCCC[C@H]1CO)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000121910889 326375315 /nfs/dbraw/zinc/37/53/15/326375315.db2.gz XKDJOBSEZOVIQG-VQTJNVASSA-N 0 3 360.498 2.172 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000128963786 326532600 /nfs/dbraw/zinc/53/26/00/326532600.db2.gz ZCJPDEAKYYGUBZ-NVXWUHKLSA-N 0 3 365.543 2.374 10 0 FEAEHN CC(C)[C@H](NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C(N)=O ZINC000134449833 326625848 /nfs/dbraw/zinc/62/58/48/326625848.db2.gz AKCJUKMDZHJJFK-ZBFHGGJFSA-N 0 3 366.531 2.330 10 0 FEAEHN CC1CCN(CCNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000153528119 326735137 /nfs/dbraw/zinc/73/51/37/326735137.db2.gz CGQXZRGSLHFSMI-PKOBYXMFSA-N 0 3 361.461 2.193 10 0 FEAEHN CNc1cc(N2CCC[C@@H]2CNCc2cnc3ccc(C)cn23)ncn1 ZINC000156582452 326836846 /nfs/dbraw/zinc/83/68/46/326836846.db2.gz OUSUXDOZKZDKHQ-OAHLLOKOSA-N 0 3 351.458 2.233 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000170694214 327094604 /nfs/dbraw/zinc/09/46/04/327094604.db2.gz HKCARZNJJCEHGP-OTWHNJEPSA-N 0 3 361.486 2.053 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)NCCc2cc(Br)ccc2F)C1 ZINC000170834508 327101286 /nfs/dbraw/zinc/10/12/86/327101286.db2.gz HMGSSXBWRWLTTE-ZDUSSCGKSA-N 0 3 358.255 2.476 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2cccc(COCc3ccco3)c2)C1 ZINC000170844195 327102168 /nfs/dbraw/zinc/10/21/68/327102168.db2.gz OKSBARXQCXUTDD-KRWDZBQOSA-N 0 3 371.437 2.097 10 0 FEAEHN Cc1nc(-c2ccc(NC(=O)C(=O)N3CC[C@@H](N(C)C)C3)cc2)cs1 ZINC000170844420 327102252 /nfs/dbraw/zinc/10/22/52/327102252.db2.gz NGXJRUUCXMRKQF-OAHLLOKOSA-N 0 3 358.467 2.220 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C1 ZINC000170859875 327103280 /nfs/dbraw/zinc/10/32/80/327103280.db2.gz JAXNJBOTKHPUKX-DOTOQJQBSA-N 0 3 363.889 2.355 10 0 FEAEHN COc1ccc(-n2ccnc2SCC(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000170859809 327103349 /nfs/dbraw/zinc/10/33/49/327103349.db2.gz OHHIUUDQGUKSCM-HNNXBMFYSA-N 0 3 360.483 2.136 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)C1 ZINC000171083092 327116565 /nfs/dbraw/zinc/11/65/65/327116565.db2.gz FRGOYKKCCPFJNC-MRXNPFEDSA-N 0 3 362.499 2.043 10 0 FEAEHN O=C(COc1ccccc1OCC(F)(F)F)N1CCN2CCC[C@@H]2C1 ZINC000171299767 327130639 /nfs/dbraw/zinc/13/06/39/327130639.db2.gz LJMLARRMWHRVOL-CYBMUJFWSA-N 0 3 358.360 2.313 10 0 FEAEHN CN(C)[C@H](Cc1ccccc1)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000171674456 327154204 /nfs/dbraw/zinc/15/42/04/327154204.db2.gz ZUXQCECBVHDJEI-OAQYLSRUSA-N 0 3 366.509 2.335 10 0 FEAEHN O=C(Nc1ccc(NC(=O)N2CCN3CCC[C@@H]3C2)cc1)[C@H]1CCCO1 ZINC000171888375 327167818 /nfs/dbraw/zinc/16/78/18/327167818.db2.gz SMSINVPYRWZNPA-IAGOWNOFSA-N 0 3 358.442 2.116 10 0 FEAEHN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N1CCN2CCC[C@@H]2C1 ZINC000171902891 327169031 /nfs/dbraw/zinc/16/90/31/327169031.db2.gz KKQBZLSHSLFHDG-LJQANCHMSA-N 0 3 360.477 2.280 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2ccc(OCc3ccccc3)nc2)CCO1 ZINC000172307694 327194513 /nfs/dbraw/zinc/19/45/13/327194513.db2.gz QKDSRQVOIKWXFR-GOSISDBHSA-N 0 3 355.438 2.063 10 0 FEAEHN C[C@H](N[C@H]1Cc2ccccc2[C@@H]1O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173421258 327255272 /nfs/dbraw/zinc/25/52/72/327255272.db2.gz AWRVVEXJOGSKSS-AGRHKRQWSA-N 0 3 360.479 2.246 10 0 FEAEHN CO[C@@H](CNC(=O)NC[C@H](O)CN1CCCCC1)c1cccc(Cl)c1 ZINC000173436589 327257004 /nfs/dbraw/zinc/25/70/04/327257004.db2.gz JWORWIJKSDBMTI-IRXDYDNUSA-N 0 3 369.893 2.174 10 0 FEAEHN Cc1ccc([C@H](CN[C@@H](C)C(=O)NCC(C)C)N2CCOCC2)s1 ZINC000173646190 327273375 /nfs/dbraw/zinc/27/33/75/327273375.db2.gz WNRBCIZVBVZZKL-HOTGVXAUSA-N 0 3 353.532 2.180 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000173744187 327280894 /nfs/dbraw/zinc/28/08/94/327280894.db2.gz RXRRDVZYVPGQDK-DZGCQCFKSA-N 0 3 369.421 2.422 10 0 FEAEHN CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173977917 327299308 /nfs/dbraw/zinc/29/93/08/327299308.db2.gz NDTMXYRYXDTEHZ-OAHLLOKOSA-N 0 3 357.454 2.041 10 0 FEAEHN CNc1cc(N2CCC[C@@H]2CN[C@@H](C)C(=O)Nc2ccccc2C)ncn1 ZINC000174285374 327316941 /nfs/dbraw/zinc/31/69/41/327316941.db2.gz FGUOIVCVEUVDMJ-JKSUJKDBSA-N 0 3 368.485 2.412 10 0 FEAEHN O=C(NCc1cscn1)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000174464724 327328224 /nfs/dbraw/zinc/32/82/24/327328224.db2.gz HCFDGUACQWTVNQ-SFHVURJKSA-N 0 3 374.510 2.388 10 0 FEAEHN Cc1ccc(CNC(=O)C2CCN(C[C@@H](O)COC(C)(C)C)CC2)cc1 ZINC000175317186 327386629 /nfs/dbraw/zinc/38/66/29/327386629.db2.gz WEQGXFSXVWIOCY-LJQANCHMSA-N 0 3 362.514 2.499 10 0 FEAEHN CCN1CCC[C@H]1CN(C)CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000175334819 327387639 /nfs/dbraw/zinc/38/76/39/327387639.db2.gz LNVHJUKKWPFWLE-OALUTQOASA-N 0 3 363.477 2.142 10 0 FEAEHN CCOCCNC(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000175356266 327388926 /nfs/dbraw/zinc/38/89/26/327388926.db2.gz UEQBPOPYTNTQHM-IBGZPJMESA-N 0 3 363.502 2.110 10 0 FEAEHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000176074974 327432352 /nfs/dbraw/zinc/43/23/52/327432352.db2.gz ZWXNWFNQUDHGFQ-SFHVURJKSA-N 0 3 369.469 2.092 10 0 FEAEHN CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CCCn3ncnc32)CC1 ZINC000176605483 327465774 /nfs/dbraw/zinc/46/57/74/327465774.db2.gz IKOLYRMCSFLGBD-GOSISDBHSA-N 0 3 368.485 2.419 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@H](C)C(=O)NC[C@H](C)c1ccccc1)CC2 ZINC000246566908 328628203 /nfs/dbraw/zinc/62/82/03/328628203.db2.gz LNUXINWBVHLJCP-ZMSDIMECSA-N 0 3 355.486 2.053 10 0 FEAEHN CCCCNC(=O)[C@H](C)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000247019906 328662570 /nfs/dbraw/zinc/66/25/70/328662570.db2.gz PBFWVWHZBFKJPA-HRCADAONSA-N 0 3 353.532 2.404 10 0 FEAEHN CCO[C@@H]1C[C@H](N[C@H](C)CS(=O)(=O)c2ccccc2)C12CCOCC2 ZINC000248621132 328729713 /nfs/dbraw/zinc/72/97/13/328729713.db2.gz ALUCXLRCDDOJFA-BPQIPLTHSA-N 0 3 367.511 2.413 10 0 FEAEHN CN1C(=O)C[C@H](NC[C@H](O)COC(C)(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000248957305 328749253 /nfs/dbraw/zinc/74/92/53/328749253.db2.gz BRMBBUIXVYHCQW-ZOBUZTSGSA-N 0 3 354.878 2.377 10 0 FEAEHN CCC[C@](C)(N)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000262340008 328859882 /nfs/dbraw/zinc/85/98/82/328859882.db2.gz YERHBIWNIJMBJN-IBGZPJMESA-N 0 3 361.442 2.110 10 0 FEAEHN CC(=O)Nc1ccc(S[C@@H](C)c2nc([C@H]3CNCCN3C)no2)cc1 ZINC000263239882 328927607 /nfs/dbraw/zinc/92/76/07/328927607.db2.gz OLZZTMYNARJOHD-XHDPSFHLSA-N 0 3 361.471 2.457 10 0 FEAEHN CC(=O)Nc1cc(-c2nc([C@H]3CNCCN3C)no2)cc(C(F)(F)F)c1 ZINC000263251897 328928284 /nfs/dbraw/zinc/92/82/84/328928284.db2.gz QBIJRJPAHWCLLM-CYBMUJFWSA-N 0 3 369.347 2.290 10 0 FEAEHN Cc1ccc(-c2cnc(CCc3nc([C@H]4CNCCN4C)no3)o2)cc1 ZINC000263281201 328930193 /nfs/dbraw/zinc/93/01/93/328930193.db2.gz UHYGHZCXXMUUCC-OAHLLOKOSA-N 0 3 353.426 2.394 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000155292150 545506721 /nfs/dbraw/zinc/50/67/21/545506721.db2.gz MKLSRHPXSVQQJD-APWZRJJASA-N 0 3 357.498 2.384 10 0 FEAEHN CCn1cnnc1C1CCN(C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000158974912 545910036 /nfs/dbraw/zinc/91/00/36/545910036.db2.gz BQSNLADSVZZBSS-INIZCTEOSA-N 0 3 369.469 2.399 10 0 FEAEHN CCCCS[C@H](C)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000159278756 545939072 /nfs/dbraw/zinc/93/90/72/545939072.db2.gz FYPHVMKPOKDCBR-QAPCUYQASA-N 0 3 350.528 2.444 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)C1 ZINC000175361741 546309483 /nfs/dbraw/zinc/30/94/83/546309483.db2.gz XWYFTZFGGOJSQQ-RTBURBONSA-N 0 3 372.513 2.465 10 0 FEAEHN CCN(C(=O)[C@H](C)N1C[C@H](C)[C@H](N2CCOCC2)C1)C1CCCCC1 ZINC000175587754 546316147 /nfs/dbraw/zinc/31/61/47/546316147.db2.gz FDELRYVDFUSQFT-JENIJYKNSA-N 0 3 351.535 2.209 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCCc1csc(N2CCCC2)n1 ZINC000176401521 546440855 /nfs/dbraw/zinc/44/08/55/546440855.db2.gz FGONFNOIDQJGHL-INIZCTEOSA-N 0 3 365.547 2.412 10 0 FEAEHN O=C(Nc1ccccc1CCC(F)(F)F)C(=O)N1CCN2CCC[C@H]2C1 ZINC000176662244 546473609 /nfs/dbraw/zinc/47/36/09/546473609.db2.gz NAAJEQYSTSBXID-AWEZNQCLSA-N 0 3 369.387 2.427 10 0 FEAEHN CCCN1Cc2cccc(NC(=O)C(=O)N(C)C[C@@H]3CCCN3CC)c2C1 ZINC000176894012 546502820 /nfs/dbraw/zinc/50/28/20/546502820.db2.gz XKNPRHXENDJTMM-KRWDZBQOSA-N 0 3 372.513 2.293 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000177024553 546525146 /nfs/dbraw/zinc/52/51/46/546525146.db2.gz DMXYGRXIJWGVCH-IAGOWNOFSA-N 0 3 352.523 2.007 10 0 FEAEHN CC(C)CNC(=O)c1cccc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000177226463 546574719 /nfs/dbraw/zinc/57/47/19/546574719.db2.gz YHLLNCFCVNFSHY-XLIONFOSSA-N 0 3 359.514 2.225 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CSCC(=O)Nc1ccc(F)cc1 ZINC000177422379 546614789 /nfs/dbraw/zinc/61/47/89/546614789.db2.gz VVKQPHAZJGLBSR-MRXNPFEDSA-N 0 3 367.490 2.440 10 0 FEAEHN CCn1cc(C(=O)N(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000177469511 546625452 /nfs/dbraw/zinc/62/54/52/546625452.db2.gz MIIIMAAJGAXRLA-HXUWFJFHSA-N 0 3 370.497 2.421 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCCOc1cccc(NC(C)=O)c1 ZINC000177483700 546629049 /nfs/dbraw/zinc/62/90/49/546629049.db2.gz MIUMNLFFNBCNNQ-KRWDZBQOSA-N 0 3 362.474 2.150 10 0 FEAEHN O=C(Nc1ccc(SC(F)F)cc1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177694171 546668938 /nfs/dbraw/zinc/66/89/38/546668938.db2.gz OHRQPOPQQYUVIH-GFCCVEGCSA-N 0 3 355.410 2.246 10 0 FEAEHN CC(=O)c1cccc(OC[C@@H](O)CN2CCC[C@H]2Cn2ccnc2C)c1 ZINC000178285916 546769790 /nfs/dbraw/zinc/76/97/90/546769790.db2.gz WYXXBJRICZDXAJ-OALUTQOASA-N 0 3 357.454 2.298 10 0 FEAEHN COC(=O)c1ccccc1N(C)C(=O)CN1CCC[C@H]1Cn1ccnc1C ZINC000178298212 546772232 /nfs/dbraw/zinc/77/22/32/546772232.db2.gz UJWJNWWTGGKIII-INIZCTEOSA-N 0 3 370.453 2.106 10 0 FEAEHN COCOc1ccc(OC)cc1CN[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000179870267 547022375 /nfs/dbraw/zinc/02/23/75/547022375.db2.gz KASNQDIYFXGZJG-HNNXBMFYSA-N 0 3 360.458 2.497 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(OC)c(NC(C)=O)c1)CC2 ZINC000180623950 547144590 /nfs/dbraw/zinc/14/45/90/547144590.db2.gz ZEVXJXNDIBWHHS-DOMZBBRYSA-N 0 3 357.458 2.473 10 0 FEAEHN Cc1c(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)cccc1N(C)C ZINC000180750505 547173580 /nfs/dbraw/zinc/17/35/80/547173580.db2.gz JOVVZEXDXFEWFT-MRXNPFEDSA-N 0 3 360.502 2.236 10 0 FEAEHN COc1ccc(Br)c(NC(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000181192142 547266962 /nfs/dbraw/zinc/26/69/62/547266962.db2.gz AHFCRVXJGRGBNR-GFCCVEGCSA-N 0 3 372.263 2.252 10 0 FEAEHN Cc1ccc2c(c1)[C@H](NC(=O)NC[C@@H](C)CN1CCN(C)CC1)[C@H](C)C2 ZINC000181425787 547313171 /nfs/dbraw/zinc/31/31/71/547313171.db2.gz XRZJRZCNCWKFCM-MBOZVWFJSA-N 0 3 358.530 2.411 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000182080794 547434313 /nfs/dbraw/zinc/43/43/13/547434313.db2.gz PGZOODNJTGAMPC-VXGBXAGGSA-N 0 3 363.405 2.348 10 0 FEAEHN CC[C@@H](O)CN1CCN(CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000182801199 547554226 /nfs/dbraw/zinc/55/42/26/547554226.db2.gz CTPLXWZTMKFLNM-MRXNPFEDSA-N 0 3 368.905 2.432 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000182886308 547566614 /nfs/dbraw/zinc/56/66/14/547566614.db2.gz OZEUYSWZZOOBIO-HNNXBMFYSA-N 0 3 370.453 2.193 10 0 FEAEHN CCCN(CC(=O)Nc1ccccc1C)C(=O)CN[C@H](C)[C@H]1CCCO1 ZINC000183191193 547618550 /nfs/dbraw/zinc/61/85/50/547618550.db2.gz QDLWPQGCFIVDFZ-SJLPKXTDSA-N 0 3 361.486 2.329 10 0 FEAEHN Cn1cc(S(=O)(=O)NCCN[C@@H]2c3ccccc3CCC2(C)C)cn1 ZINC000183207292 547620883 /nfs/dbraw/zinc/62/08/83/547620883.db2.gz MESASNBKPWTTIN-QGZVFWFLSA-N 0 3 362.499 2.002 10 0 FEAEHN Cc1noc([C@@H]2COCCN2C(=O)c2cccc(CN3CCCC3)c2)n1 ZINC000183767701 547716080 /nfs/dbraw/zinc/71/60/80/547716080.db2.gz NRSRXFPUXDZGCO-KRWDZBQOSA-N 0 3 356.426 2.188 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccccc1-n1nccc1C ZINC000185036303 547921236 /nfs/dbraw/zinc/92/12/36/547921236.db2.gz YUWDJUZOALRPQU-MRXNPFEDSA-N 0 3 369.469 2.062 10 0 FEAEHN Cc1ccc(-c2cc(C(=O)NC[C@H](O)CN3CCCCC3)[nH]n2)c(C)c1 ZINC000186934094 548222452 /nfs/dbraw/zinc/22/24/52/548222452.db2.gz SYZBCNXWTSNENW-INIZCTEOSA-N 0 3 356.470 2.270 10 0 FEAEHN Cc1csc([C@@H]2CN(C(=O)NC3CCN(C4CC4)CC3)CCO2)n1 ZINC000194018187 548422915 /nfs/dbraw/zinc/42/29/15/548422915.db2.gz JWMVPDPWSVFICJ-HNNXBMFYSA-N 0 3 350.488 2.161 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC000194169208 548444418 /nfs/dbraw/zinc/44/44/18/548444418.db2.gz RYNCUMBIOWOMTK-SFHVURJKSA-N 0 3 358.486 2.028 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc(NS(=O)(=O)CC)cc2)C1 ZINC000194175142 548445687 /nfs/dbraw/zinc/44/56/87/548445687.db2.gz JOEXOFDXSDNIBN-HNNXBMFYSA-N 0 3 354.476 2.054 10 0 FEAEHN O=C(NCC1CCN(C[C@H](O)c2ccccc2)CC1)C1CCC(O)CC1 ZINC000194367785 548471850 /nfs/dbraw/zinc/47/18/50/548471850.db2.gz GWEAEPXYBRYQPC-MHJFOBGBSA-N 0 3 360.498 2.099 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(N2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000194792749 548531925 /nfs/dbraw/zinc/53/19/25/548531925.db2.gz UFPIVQFFYNQIPV-SOLBZPMBSA-N 0 3 360.502 2.252 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC000195255185 548603363 /nfs/dbraw/zinc/60/33/63/548603363.db2.gz XNRWEPLJBWXZCV-JKSUJKDBSA-N 0 3 352.548 2.461 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(CC(=O)Nc2nccs2)C1 ZINC000195254861 548603595 /nfs/dbraw/zinc/60/35/95/548603595.db2.gz ZUPUCSGLPLUNOS-CYBMUJFWSA-N 0 3 365.528 2.300 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(CC(=O)N(C)c2ccccc2)C1 ZINC000195286511 548611905 /nfs/dbraw/zinc/61/19/05/548611905.db2.gz CZKJIGZIQTZMBP-LJQANCHMSA-N 0 3 352.482 2.498 10 0 FEAEHN CCCC(=O)N[C@@H]1CCCN(C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)C1 ZINC000245202247 548901049 /nfs/dbraw/zinc/90/10/49/548901049.db2.gz YENKCSGOZAWFRR-QZTJIDSGSA-N 0 3 372.513 2.395 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000245468311 548929911 /nfs/dbraw/zinc/92/99/11/548929911.db2.gz KOKUNPZIYOJIIC-ROUUACIJSA-N 0 3 358.486 2.308 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)NCC[S@](=O)Cc1ccccc1 ZINC000245672395 548971257 /nfs/dbraw/zinc/97/12/57/548971257.db2.gz FMSPNBGESVMLNA-GAKIBJFNSA-N 0 3 363.527 2.204 10 0 FEAEHN Cc1cc2ncn(C[C@@H](O)CN3CC[C@@](O)(C(F)(F)F)C3)c2cc1C ZINC000246102806 549052737 /nfs/dbraw/zinc/05/27/37/549052737.db2.gz BCQPVRIWLDVYRT-BBRMVZONSA-N 0 3 357.376 2.013 10 0 FEAEHN O=C(NC[C@H](O)CN1CCc2ccccc2C1)[C@H]1CCOc2ccccc21 ZINC000246127224 549058952 /nfs/dbraw/zinc/05/89/52/549058952.db2.gz ZEGCYEQFIONTTM-ICSRJNTNSA-N 0 3 366.461 2.088 10 0 FEAEHN O=C(CCN1CCN2CCCC[C@H]2C1)Nc1ccc(N2CCOCC2)cc1 ZINC000246215887 549080638 /nfs/dbraw/zinc/08/06/38/549080638.db2.gz PQRGYNDIQYDBTD-FQEVSTJZSA-N 0 3 372.513 2.022 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000246494051 549146287 /nfs/dbraw/zinc/14/62/87/549146287.db2.gz ROXTXBZOAIJADT-BXUZGUMPSA-N 0 3 357.376 2.489 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cccc(COCC3CC3)c2)C1 ZINC000246552842 549159844 /nfs/dbraw/zinc/15/98/44/549159844.db2.gz WDRRJBWAJWAPPR-DNVCBOLYSA-N 0 3 373.497 2.397 10 0 FEAEHN C[C@]1(C(=O)N2CCN3CCC[C@H]3C2)CCCN(C(=O)c2ccccc2)C1 ZINC000246653734 549183529 /nfs/dbraw/zinc/18/35/29/549183529.db2.gz GOPUOGLOPQVNEW-RXVVDRJESA-N 0 3 355.482 2.236 10 0 FEAEHN C[C@@]1(C(=O)N2CCN3CCC[C@H]3C2)CCCN(C(=O)c2ccccc2)C1 ZINC000246653717 549183740 /nfs/dbraw/zinc/18/37/40/549183740.db2.gz GOPUOGLOPQVNEW-GHTZIAJQSA-N 0 3 355.482 2.236 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000246778561 549210676 /nfs/dbraw/zinc/21/06/76/549210676.db2.gz BCWJXIHTJHELKH-NFAWXSAZSA-N 0 3 363.408 2.013 10 0 FEAEHN CC(C)CNC(=O)[C@H](C)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000246849348 549227115 /nfs/dbraw/zinc/22/71/15/549227115.db2.gz DWCVAFGQRGAUMQ-OWCLPIDISA-N 0 3 353.532 2.260 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc(Br)cnc2N(C)C)C1 ZINC000246980553 549256404 /nfs/dbraw/zinc/25/64/04/549256404.db2.gz GHJZXQCYKQXDHF-SMDDNHRTSA-N 0 3 369.307 2.369 10 0 FEAEHN C[C@H](O)CN1CCN(CCc2nc(-c3ccc(Cl)cc3)no2)C[C@@H]1C ZINC000247006349 549263164 /nfs/dbraw/zinc/26/31/64/549263164.db2.gz NOASRDXTSRDMOB-KBPBESRZSA-N 0 3 364.877 2.319 10 0 FEAEHN COc1cccc(CNC(=O)[C@@H](C)N2CCC[C@H]2Cn2ccnc2C)c1 ZINC000247122276 549288254 /nfs/dbraw/zinc/28/82/54/549288254.db2.gz RVLBWWZFSRSCKO-QAPCUYQASA-N 0 3 356.470 2.369 10 0 FEAEHN C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CN(C)CCO2)CCN1Cc1ccccc1 ZINC000247283300 549310831 /nfs/dbraw/zinc/31/08/31/549310831.db2.gz DGYZUIJRLLTWLE-RLLQIKCJSA-N 0 3 374.529 2.012 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000247320087 549317972 /nfs/dbraw/zinc/31/79/72/549317972.db2.gz MKLSRHPXSVQQJD-QFBILLFUSA-N 0 3 357.498 2.384 10 0 FEAEHN CC[C@@H]1CN(C[C@@H](O)COc2ccc(C)cc2C)CCN1CCOC ZINC000247583481 549362223 /nfs/dbraw/zinc/36/22/23/549362223.db2.gz ISFJPIBWGWIYBE-RTBURBONSA-N 0 3 350.503 2.086 10 0 FEAEHN CCOCCN1CCN(CCC(=O)NCc2ccccc2Cl)C[C@H]1C ZINC000247598369 549364600 /nfs/dbraw/zinc/36/46/00/549364600.db2.gz KQBYVQJFWJPBAQ-MRXNPFEDSA-N 0 3 367.921 2.389 10 0 FEAEHN CCc1ccccc1Nc1nc(N)nc(CN2CCN3CCCC[C@H]3C2)n1 ZINC000248325698 549418968 /nfs/dbraw/zinc/41/89/68/549418968.db2.gz BLRYPWKKZPXKCL-INIZCTEOSA-N 0 3 367.501 2.430 10 0 FEAEHN CCCCOc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cn1 ZINC000248565932 549459829 /nfs/dbraw/zinc/45/98/29/549459829.db2.gz PUSODCPBNLVPCC-ZBFHGGJFSA-N 0 3 362.474 2.044 10 0 FEAEHN CO[C@@H](C)c1noc(CN2CC[C@H](CN(C)Cc3scnc3C)C2)n1 ZINC000248643773 549474945 /nfs/dbraw/zinc/47/49/45/549474945.db2.gz DZAFRRRIAKXNKI-UONOGXRCSA-N 0 3 365.503 2.496 10 0 FEAEHN Cc1cc(NC(=O)[C@H](C)N2CC[C@@H](CN(C)Cc3cccnc3)C2)on1 ZINC000248658665 549478665 /nfs/dbraw/zinc/47/86/65/549478665.db2.gz UMUYKJAAOKGMHQ-RDJZCZTQSA-N 0 3 357.458 2.159 10 0 FEAEHN COCCN(C)c1ccc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)cn1 ZINC000248817285 549505550 /nfs/dbraw/zinc/50/55/50/549505550.db2.gz DUQICHYUGVYVKN-ROUUACIJSA-N 0 3 361.511 2.434 10 0 FEAEHN CCO[C@@H]1C[C@@H](N[C@H]2CCN(c3ccccc3F)C2=O)C12CCOCC2 ZINC000248910766 549526773 /nfs/dbraw/zinc/52/67/73/549526773.db2.gz BZODGWLIVUNPJZ-CGTJXYLNSA-N 0 3 362.445 2.495 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000249063262 549545190 /nfs/dbraw/zinc/54/51/90/549545190.db2.gz HKELPWPPYAQUBC-SJORKVTESA-N 0 3 372.494 2.391 10 0 FEAEHN CCc1nc2cc(NC(=O)C(=O)N3C[C@@H]4CCCN4C[C@H]3CC)ccc2o1 ZINC000249175026 549564590 /nfs/dbraw/zinc/56/45/90/549564590.db2.gz LYDZOQXGNZQASU-CABCVRRESA-N 0 3 370.453 2.414 10 0 FEAEHN C[C@@H]1CN(Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H]1N1CCOCC1 ZINC000249192256 549566918 /nfs/dbraw/zinc/56/69/18/549566918.db2.gz AFQLKLOEALUIJQ-OXQOHEQNSA-N 0 3 358.461 2.223 10 0 FEAEHN COc1cc(Cl)c(C)cc1NC(=O)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000249246126 549572016 /nfs/dbraw/zinc/57/20/16/549572016.db2.gz XHNNFNUUJMTDSH-OLZOCXBDSA-N 0 3 365.861 2.291 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(COCC2CC2)c1 ZINC000249234070 549572117 /nfs/dbraw/zinc/57/21/17/549572117.db2.gz VVPRNBPIHJWOBO-KXBFYZLASA-N 0 3 371.481 2.247 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(F)c(OC)cc1C ZINC000249264901 549574141 /nfs/dbraw/zinc/57/41/41/549574141.db2.gz ZJNHOYDNNPNYSC-KBPBESRZSA-N 0 3 363.433 2.166 10 0 FEAEHN CCN(C(=O)NC[C@H](C)N1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000249274651 549575422 /nfs/dbraw/zinc/57/54/22/549575422.db2.gz CMHWQBLEHFPDKW-AZUAARDMSA-N 0 3 374.529 2.013 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249296656 549577995 /nfs/dbraw/zinc/57/79/95/549577995.db2.gz MOAMDYOCQVFJBR-WOJBJXKFSA-N 0 3 369.513 2.075 10 0 FEAEHN CCO[C@@H]1C[C@H](NC(=O)N2CCN3CCC[C@H]3C2)[C@H]1Oc1ccccc1 ZINC000251659584 549650178 /nfs/dbraw/zinc/65/01/78/549650178.db2.gz KNEYTLIWNNBNOX-GDAAHCPNSA-N 0 3 359.470 2.101 10 0 FEAEHN CCC[C@H](C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)N(C)C ZINC000252734218 549678787 /nfs/dbraw/zinc/67/87/87/549678787.db2.gz HSIYZRSHABUDAH-INMHGKMJSA-N 0 3 351.878 2.458 10 0 FEAEHN CC1CCN([C@H](CNC(=O)[C@@H](N)C2CCOCC2)c2cccs2)CC1 ZINC000261628805 549736458 /nfs/dbraw/zinc/73/64/58/549736458.db2.gz CTOQAONIHDCARQ-AEFFLSMTSA-N 0 3 365.543 2.391 10 0 FEAEHN C[C@H](NC(=O)[C@H](N)C1CCOCC1)c1nc2ccccc2n1C(F)F ZINC000261715986 549747018 /nfs/dbraw/zinc/74/70/18/549747018.db2.gz IYMHTXWNCAMBAQ-IINYFYTJSA-N 0 3 352.385 2.363 10 0 FEAEHN NC1(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2)CCOCC1 ZINC000261909363 549768691 /nfs/dbraw/zinc/76/86/91/549768691.db2.gz SUVKSXZAURLQCY-UHFFFAOYSA-N 0 3 350.422 2.150 10 0 FEAEHN C[C@H](c1ccccc1Cl)N1CCN(C(=O)C2(N)CCOCC2)CC1 ZINC000261925350 549770190 /nfs/dbraw/zinc/77/01/90/549770190.db2.gz VOOCYASUJDRXOL-CQSZACIVSA-N 0 3 351.878 2.053 10 0 FEAEHN COc1ccc(-n2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3COCCN3)n2)cc1 ZINC000261954452 549773856 /nfs/dbraw/zinc/77/38/56/549773856.db2.gz OUFWNOWWJCAESM-ZCNNSNEGSA-N 0 3 356.470 2.128 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1 ZINC000262644025 549834523 /nfs/dbraw/zinc/83/45/23/549834523.db2.gz MRFQUGNOBOFSMH-FOIQADDNSA-N 0 3 368.481 2.490 10 0 FEAEHN CCc1nc(-c2nc([C@H]3CNCCN3C)no2)nn1-c1ccccc1Cl ZINC000263155859 549882232 /nfs/dbraw/zinc/88/22/32/549882232.db2.gz DMVSHPAOOOBYRU-CYBMUJFWSA-N 0 3 373.848 2.109 10 0 FEAEHN CN1CCNC[C@H]1c1noc(CN(Cc2cccnc2)c2ccccc2)n1 ZINC000263177700 549883567 /nfs/dbraw/zinc/88/35/67/549883567.db2.gz GIUBSFYVYXDLPD-SFHVURJKSA-N 0 3 364.453 2.248 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2c[nH]cc2-c2ccc3c(c2)OCCO3)n1 ZINC000263207285 549885527 /nfs/dbraw/zinc/88/55/27/549885527.db2.gz JVZGECFAGYBGRA-OAHLLOKOSA-N 0 3 367.409 2.079 10 0 FEAEHN CN1CCNC[C@H]1c1noc(CCc2ccccc2OC(F)(F)F)n1 ZINC000263214331 549886434 /nfs/dbraw/zinc/88/64/34/549886434.db2.gz KPKMMBFNFXHUJU-LBPRGKRZSA-N 0 3 356.348 2.330 10 0 FEAEHN COc1ccc(Br)cc1Cc1nc([C@@H]2CNCCN2C)no1 ZINC000263238913 549888453 /nfs/dbraw/zinc/88/84/53/549888453.db2.gz OIMUDCULZPNLCJ-LBPRGKRZSA-N 0 3 367.247 2.008 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2cccc(NC(=O)c3ccco3)c2)n1 ZINC000263263073 549890358 /nfs/dbraw/zinc/89/03/58/549890358.db2.gz RFGWJCSTUMETFN-CQSZACIVSA-N 0 3 353.382 2.158 10 0 FEAEHN Cn1nccc1[C@@H]1NC(=O)CC[C@H]1NCc1ccc2c(c1)CC(C)(C)O2 ZINC000284628438 551593948 /nfs/dbraw/zinc/59/39/48/551593948.db2.gz TVAWLEDSBCLYEP-DNVCBOLYSA-N 0 3 354.454 2.243 10 0 FEAEHN COCCCS(=O)(=O)N1CCN(c2ccnc3c(C)cccc23)CC1 ZINC000301790881 553679558 /nfs/dbraw/zinc/67/95/58/553679558.db2.gz WQBPQDFHUMLDMR-UHFFFAOYSA-N 0 3 363.483 2.032 10 0 FEAEHN CCN1CC[C@@H](NC(=O)c2cccc(C)c2I)C1 ZINC000389949111 558609689 /nfs/dbraw/zinc/60/96/89/558609689.db2.gz DETCSHBJMBENRB-LLVKDONJSA-N 0 3 358.223 2.424 10 0 FEAEHN Cn1ncc(Br)c1C1=C[C@H](N)CN(C(=O)OC(C)(C)C)C1 ZINC000675078100 571272737 /nfs/dbraw/zinc/27/27/37/571272737.db2.gz MPDKFYFBIGMWSD-JTQLQIEISA-N 0 3 357.252 2.144 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC000067408099 670457923 /nfs/dbraw/zinc/45/79/23/670457923.db2.gz MNDQZWNFZPCCOL-AWEZNQCLSA-N 0 3 354.495 2.169 10 0 FEAEHN CN(C)C[C@@H]1CN(Cn2ncc3c2cccc3Br)CCO1 ZINC000152973763 672191268 /nfs/dbraw/zinc/19/12/68/672191268.db2.gz VXKFMVZTGIUEDN-GFCCVEGCSA-N 0 3 353.264 2.019 10 0 FEAEHN CCOCCN1CCN(C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000172791539 672344782 /nfs/dbraw/zinc/34/47/82/672344782.db2.gz APWFVRQREPZZLK-IRXDYDNUSA-N 0 3 355.523 2.286 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000236946744 672804552 /nfs/dbraw/zinc/80/45/52/672804552.db2.gz ORYWMHYXIFDUEH-MLGOLLRUSA-N 0 3 350.438 2.312 10 0 FEAEHN CN(C)[C@@H]1CN(Cc2ccc(Cl)c3cccnc23)C[C@@H]1n1ccnn1 ZINC000859754282 683152225 /nfs/dbraw/zinc/15/22/25/683152225.db2.gz ATNQXQNHPFLNDM-SJORKVTESA-N 0 3 356.861 2.467 10 0 FEAEHN CN(C)C[C@@H](NC(=O)CCn1cnc2sccc2c1=O)c1ccccc1 ZINC000029954145 539869896 /nfs/dbraw/zinc/86/98/96/539869896.db2.gz IMXLRKNAMRYBLK-MRXNPFEDSA-N 0 3 370.478 2.267 10 0 FEAEHN CC(C)c1ccc(OCCNC(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000049191511 540384178 /nfs/dbraw/zinc/38/41/78/540384178.db2.gz VKZPUXVUQIBSBW-SFHVURJKSA-N 0 3 363.502 2.335 10 0 FEAEHN CN(C)C[C@@H](NC(=O)NCC(=O)N(C)Cc1ccccc1)c1ccccc1 ZINC000056927565 540756067 /nfs/dbraw/zinc/75/60/67/540756067.db2.gz COZAASQMTMGOQT-LJQANCHMSA-N 0 3 368.481 2.247 10 0 FEAEHN Cc1occc1C(=O)NC1CCN(C[C@@H](O)COCc2ccccc2)CC1 ZINC000067229950 541435203 /nfs/dbraw/zinc/43/52/03/541435203.db2.gz KAZRWRJWRVRVDS-LJQANCHMSA-N 0 3 372.465 2.360 10 0 FEAEHN CC(=O)NC[C@H]1CCCN(C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000067412192 541460053 /nfs/dbraw/zinc/46/00/53/541460053.db2.gz HDDGHMQUMYGMDF-AEFFLSMTSA-N 0 3 354.878 2.066 10 0 FEAEHN CN(C)CCN1C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)CCC1=O ZINC000012594885 220011037 /nfs/dbraw/zinc/01/10/37/220011037.db2.gz QXHCKDVJPMMUAG-AWEZNQCLSA-N 0 3 371.403 2.122 10 0 FEAEHN C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccc(F)c(Cl)c1 ZINC000073050292 541913948 /nfs/dbraw/zinc/91/39/48/541913948.db2.gz XILOHJXIJYZPQL-WCQYABFASA-N 0 3 355.841 2.066 10 0 FEAEHN CCOc1ccccc1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019520077 220265704 /nfs/dbraw/zinc/26/57/04/220265704.db2.gz LLQPQUKUEXFCIG-QGZVFWFLSA-N 0 3 352.438 2.498 10 0 FEAEHN Cc1nc(C[C@H]2CCCN(Cc3ccccc3OCC(=O)N(C)C)C2)no1 ZINC000092814082 542888173 /nfs/dbraw/zinc/88/81/73/542888173.db2.gz VVEZJHHOKFTDBZ-MRXNPFEDSA-N 0 3 372.469 2.300 10 0 FEAEHN CN(C)C[C@@H](NC(=O)NCC(=O)N1CCc2ccccc21)c1ccccc1 ZINC000101977110 543052727 /nfs/dbraw/zinc/05/27/27/543052727.db2.gz HLUGTALFDZXBOS-GOSISDBHSA-N 0 3 366.465 2.178 10 0 FEAEHN CNC(=O)COc1ccc(NC(=O)N[C@H](CN(C)C)c2ccccc2)cc1 ZINC000105057938 543156156 /nfs/dbraw/zinc/15/61/56/543156156.db2.gz UKPOOCSYXZHAKS-GOSISDBHSA-N 0 3 370.453 2.236 10 0 FEAEHN O=C(Nc1ccc(CCN2CCOCC2)cc1)N1CCN2CCCC[C@H]2C1 ZINC000105013085 543155066 /nfs/dbraw/zinc/15/50/66/543155066.db2.gz YMTVJCTUIZKCIU-FQEVSTJZSA-N 0 3 372.513 2.263 10 0 FEAEHN Cc1ccc(OC[C@H](O)CN2CCC(N(C)c3cccnn3)CC2)c(C)c1 ZINC000106083115 543192361 /nfs/dbraw/zinc/19/23/61/543192361.db2.gz WJAFQNJKJOOVSY-LJQANCHMSA-N 0 3 370.497 2.434 10 0 FEAEHN Cc1ccc(OC[C@H](O)CN2CCC(N(C)c3cccnn3)CC2)cc1 ZINC000106083999 543192439 /nfs/dbraw/zinc/19/24/39/543192439.db2.gz MOXHCKVJSJMVAU-GOSISDBHSA-N 0 3 356.470 2.126 10 0 FEAEHN CC[C@H]1CN(CCC(=O)Nc2ccccc2Cl)CCN1C[C@@H](C)O ZINC000106102738 543197419 /nfs/dbraw/zinc/19/74/19/543197419.db2.gz DENKGMFTGQBNSY-CABCVRRESA-N 0 3 353.894 2.446 10 0 FEAEHN C[C@H]1CCC[C@H](C)N1C(=O)CN(C)C1CCN(CCn2cccn2)CC1 ZINC000106130009 543206057 /nfs/dbraw/zinc/20/60/57/543206057.db2.gz VCNBVIPYEVGTQF-ROUUACIJSA-N 0 3 361.534 2.069 10 0 FEAEHN Cc1nc(C)n(C[C@H]2CCCN(C[C@@H](O)COc3ccc(C)cc3)C2)n1 ZINC000106178834 543213714 /nfs/dbraw/zinc/21/37/14/543213714.db2.gz PIOZMPMQCTVQGB-RBUKOAKNSA-N 0 3 358.486 2.355 10 0 FEAEHN Cc1cnn([C@H]2CCCN(CCC(=O)NC(=O)NCc3ccccc3)C2)c1 ZINC000106221374 543220422 /nfs/dbraw/zinc/22/04/22/543220422.db2.gz MQALWMASPKGHIL-SFHVURJKSA-N 0 3 369.469 2.245 10 0 FEAEHN CC[C@H](O)CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 ZINC000106395895 543227946 /nfs/dbraw/zinc/22/79/46/543227946.db2.gz VHKQZOOLZQYTKJ-HNNXBMFYSA-N 0 3 362.861 2.259 10 0 FEAEHN CN(C)[C@@H](Cc1ccccc1)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000106459133 543231072 /nfs/dbraw/zinc/23/10/72/543231072.db2.gz LNXMWDYFCWKTRF-NRFANRHFSA-N 0 3 366.509 2.335 10 0 FEAEHN CN(CCCN1CCN(C)CC1)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000110867193 543371215 /nfs/dbraw/zinc/37/12/15/543371215.db2.gz QNTQUJSUQMYPHI-HOTGVXAUSA-N 0 3 351.441 2.164 10 0 FEAEHN Cc1nc(COc2ccccc2C(=O)N2C[C@H]3CCCN3C[C@@H]2C)no1 ZINC000113231902 543478767 /nfs/dbraw/zinc/47/87/67/543478767.db2.gz MVHQCFAVQNDNBJ-DZGCQCFKSA-N 0 3 356.426 2.266 10 0 FEAEHN O=C(CCN1CCCC[C@@H]1c1cn[nH]c1)N1CCN(c2ccccn2)CC1 ZINC000114201642 543507763 /nfs/dbraw/zinc/50/77/63/543507763.db2.gz DNZWETPLXSCCOR-GOSISDBHSA-N 0 3 368.485 2.071 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)nc1 ZINC000114415925 543514476 /nfs/dbraw/zinc/51/44/76/543514476.db2.gz QHFSSYVYFFCZBJ-UHFFFAOYSA-N 0 3 356.445 2.174 10 0 FEAEHN C[C@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)c1cccc(Br)c1 ZINC000117030918 543621696 /nfs/dbraw/zinc/62/16/96/543621696.db2.gz DTWROENSTHZKKM-WFASDCNBSA-N 0 3 370.291 2.482 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccccc1OC(F)F ZINC000121829815 543700428 /nfs/dbraw/zinc/70/04/28/543700428.db2.gz AUZSUNQSXNXPAD-LBPRGKRZSA-N 0 3 357.401 2.319 10 0 FEAEHN C[C@@H]1CN(S(=O)(=O)c2ccc(Br)s2)C[C@@H]1N(C)C ZINC000124028351 543797320 /nfs/dbraw/zinc/79/73/20/543797320.db2.gz WXNFIJPHYBWUAO-BDAKNGLRSA-N 0 3 353.307 2.081 10 0 FEAEHN COc1ccc(NC(=O)N(C)C2CCN(CCn3cccn3)CC2)c(C)n1 ZINC000124063349 543799005 /nfs/dbraw/zinc/79/90/05/543799005.db2.gz GYZURAQSUJPBJT-UHFFFAOYSA-N 0 3 372.473 2.223 10 0 FEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)C1 ZINC000124576173 543830702 /nfs/dbraw/zinc/83/07/02/543830702.db2.gz MZLPEHAHPSSBJU-SFHVURJKSA-N 0 3 374.485 2.201 10 0 FEAEHN CCN(CC)[C@H](CNC(=O)N1CCC[C@H](NC(C)=O)C1)c1ccccc1 ZINC000126910147 543962981 /nfs/dbraw/zinc/96/29/81/543962981.db2.gz PNIBOVNPYLLWSR-RBUKOAKNSA-N 0 3 360.502 2.380 10 0 FEAEHN CC(C)COc1ccc([C@H](C)NC(=O)NC[C@](C)(O)CN(C)C)cc1 ZINC000130828167 544166828 /nfs/dbraw/zinc/16/68/28/544166828.db2.gz IRFRTHUYVZDREH-KXBFYZLASA-N 0 3 351.491 2.394 10 0 FEAEHN CC(C)c1csc([C@H]2CCCN(C[C@H](O)CN3CCOCC3)C2)n1 ZINC000131520481 544193625 /nfs/dbraw/zinc/19/36/25/544193625.db2.gz QYDRGUYZMWATKX-JKSUJKDBSA-N 0 3 353.532 2.139 10 0 FEAEHN CCOc1ccccc1NC(=O)CCN1CCN(CCOC)[C@H](CC)C1 ZINC000137133265 544385404 /nfs/dbraw/zinc/38/54/04/544385404.db2.gz SIMMUJDMRJOMHX-QGZVFWFLSA-N 0 3 363.502 2.457 10 0 FEAEHN CCS(=O)(=O)c1ccc2oc(CN3CCN4CCCC[C@@H]4C3)nc2c1 ZINC000137556772 544391534 /nfs/dbraw/zinc/39/15/34/544391534.db2.gz VXGPGNZGWALGQA-CQSZACIVSA-N 0 3 363.483 2.292 10 0 FEAEHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000154037741 544856747 /nfs/dbraw/zinc/85/67/47/544856747.db2.gz COFRLJDAFWMMBO-JKSUJKDBSA-N 0 3 360.506 2.183 10 0 FEAEHN CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000154572127 544922789 /nfs/dbraw/zinc/92/27/89/544922789.db2.gz SPHYXGNGRKFNQU-KBXCAEBGSA-N 0 3 369.469 2.043 10 0 FEAEHN Cc1nccn1C[C@H]1CCCN1[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000154588793 544925464 /nfs/dbraw/zinc/92/54/64/544925464.db2.gz DSBRIDLRLINVPZ-GOEBONIOSA-N 0 3 367.453 2.030 10 0 FEAEHN CCC[C@H]1C[C@H](C(=O)N(C)C2CCN(CCn3cccn3)CC2)CCO1 ZINC000180159559 327674106 /nfs/dbraw/zinc/67/41/06/327674106.db2.gz LUAOMNMMASBTMZ-MJGOQNOKSA-N 0 3 362.518 2.401 10 0 FEAEHN CC(C)c1nnc2n1C[C@H](N[C@H](C)c1ccc(-n3cnnn3)cc1)CC2 ZINC000180499119 327688567 /nfs/dbraw/zinc/68/85/67/327688567.db2.gz OCOUUKLOKNARAU-UKRRQHHQSA-N 0 3 352.446 2.043 10 0 FEAEHN O=C(NC[C@H](O)CN1CCCCC1)N[C@H]1CCCOc2cc(F)ccc21 ZINC000180598570 327692867 /nfs/dbraw/zinc/69/28/67/327692867.db2.gz AVDPPJDHWPIPQB-RDJZCZTQSA-N 0 3 365.449 2.185 10 0 FEAEHN COC[C@@H](Cc1ccccc1)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182355960 327771846 /nfs/dbraw/zinc/77/18/46/327771846.db2.gz RCDVLMRNGUZPLN-MSOLQXFVSA-N 0 3 356.470 2.071 10 0 FEAEHN Cc1cccn2c(=O)cc(CN3C[C@@H](c4ccsc4)[C@H](CO)C3)nc12 ZINC000188071070 328064031 /nfs/dbraw/zinc/06/40/31/328064031.db2.gz SZEGWSOQUMPTQD-RDJZCZTQSA-N 0 3 355.463 2.272 10 0 FEAEHN CN(CCOCC(F)(F)C(F)F)[C@@H]1CCCN(c2cccnn2)C1 ZINC000189135731 328130633 /nfs/dbraw/zinc/13/06/33/328130633.db2.gz YOKLCWOTJLVBFA-GFCCVEGCSA-N 0 3 350.360 2.294 10 0 FEAEHN CCc1nc2cc(NC(=O)C(=O)N3C[C@H]4CCCN4C[C@@H]3C)ccc2o1 ZINC000190080835 328186652 /nfs/dbraw/zinc/18/66/52/328186652.db2.gz OTAJFSMBQPGSCC-GXTWGEPZSA-N 0 3 356.426 2.024 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000190101097 328188162 /nfs/dbraw/zinc/18/81/62/328188162.db2.gz XDCWFIHFJNNEBU-DOTOQJQBSA-N 0 3 364.449 2.382 10 0 FEAEHN C[C@H](CN1CCCCC1)NC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000190217154 328194937 /nfs/dbraw/zinc/19/49/37/328194937.db2.gz JPSCCEJGGNERQZ-PVAVHDDUSA-N 0 3 351.516 2.340 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCCc2ccc(F)cc21 ZINC000190347060 328201683 /nfs/dbraw/zinc/20/16/83/328201683.db2.gz NRLACAMPSJXWPW-DLBZAZTESA-N 0 3 359.445 2.190 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2cccc3c2OCO3)C1 ZINC000190664583 328223149 /nfs/dbraw/zinc/22/31/49/328223149.db2.gz CFEMBSNKACGPSX-MRXNPFEDSA-N 0 3 353.422 2.404 10 0 FEAEHN C[C@@H](CNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1)Cn1cccn1 ZINC000190699789 328225773 /nfs/dbraw/zinc/22/57/73/328225773.db2.gz YQNQBWMVMKDVAC-PKOBYXMFSA-N 0 3 370.501 2.078 10 0 FEAEHN COc1ccc(C(=O)N2CCO[C@H](CN(C)C)C2)c(OCC(C)C)c1 ZINC000191718670 328278698 /nfs/dbraw/zinc/27/86/98/328278698.db2.gz AHIYNFJRDJJCDD-MRXNPFEDSA-N 0 3 350.459 2.133 10 0 FEAEHN CCN1CCCC[C@H]1C(=O)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191904403 328287933 /nfs/dbraw/zinc/28/79/33/328287933.db2.gz SSCRNWXJEDKWMQ-KRWDZBQOSA-N 0 3 367.534 2.125 10 0 FEAEHN O=C1[C@H](N2CCN3CCC[C@@H]3C2)CCN1c1cccc(Br)c1 ZINC000192073036 328298309 /nfs/dbraw/zinc/29/83/09/328298309.db2.gz PMWXFFVDQQUMHO-HZPDHXFCSA-N 0 3 364.287 2.334 10 0 FEAEHN CN(C)C[C@H](NC(=O)c1cc(Br)nn1C)c1ccccc1 ZINC000192094959 328299362 /nfs/dbraw/zinc/29/93/62/328299362.db2.gz BCWFBBHQDVJUPK-LBPRGKRZSA-N 0 3 351.248 2.215 10 0 FEAEHN C[C@H](NC(=O)N1CCC(CN2CCN(C)CC2)CC1)c1cccs1 ZINC000192144481 328302171 /nfs/dbraw/zinc/30/21/71/328302171.db2.gz NWQVKYXXWWIVFW-HNNXBMFYSA-N 0 3 350.532 2.478 10 0 FEAEHN C[C@@H](NC(=O)NC1CCN(CCN(C)C)CC1)c1ccc(F)c(F)c1 ZINC000079006459 325071613 /nfs/dbraw/zinc/07/16/13/325071613.db2.gz VZCNRXOXJCVNEG-CYBMUJFWSA-N 0 3 354.445 2.351 10 0 FEAEHN Cc1ccc(C(=O)NCCNC(=O)N[C@H](CC(C)C)CN(C)C)cc1F ZINC000079134572 325077455 /nfs/dbraw/zinc/07/74/55/325077455.db2.gz VNSHPNUKEYSXRE-MRXNPFEDSA-N 0 3 366.481 2.139 10 0 FEAEHN C[C@]1(C(=O)N2CCN(c3ccc(Br)cn3)CC2)CCCCN1 ZINC000237529227 328518972 /nfs/dbraw/zinc/51/89/72/328518972.db2.gz JRSJHUOMIRWHAB-MRXNPFEDSA-N 0 3 367.291 2.025 10 0 FEAEHN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000083722038 325223208 /nfs/dbraw/zinc/22/32/08/325223208.db2.gz CHSCKZWWAZKBIH-RHSMWYFYSA-N 0 3 356.474 2.241 10 0 FEAEHN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000083724793 325223364 /nfs/dbraw/zinc/22/33/64/325223364.db2.gz ABVDHIKNTXTGMC-ZWKOTPCHSA-N 0 3 368.485 2.385 10 0 FEAEHN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000087251260 325278006 /nfs/dbraw/zinc/27/80/06/325278006.db2.gz XJTLRFTWHZNAMI-HOTGVXAUSA-N 0 3 356.474 2.278 10 0 FEAEHN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000089479499 325319152 /nfs/dbraw/zinc/31/91/52/325319152.db2.gz OOXQYFXWVVOFIA-KRWDZBQOSA-N 0 3 369.473 2.032 10 0 FEAEHN CN(C)CCOc1cccc(CNC(=O)[C@@H](Cc2ccccc2)N(C)C)c1 ZINC000106908117 325615320 /nfs/dbraw/zinc/61/53/20/325615320.db2.gz DQPLZMYLEJCETD-OAQYLSRUSA-N 0 3 369.509 2.416 10 0 FEAEHN CCc1noc([C@@H](C)N2CCN(C(=O)[C@@H](C)N3CCCCCC3)CC2)n1 ZINC000114276186 325881005 /nfs/dbraw/zinc/88/10/05/325881005.db2.gz PDOCAEAPWVMSST-HZPDHXFCSA-N 0 3 363.506 2.102 10 0 FEAEHN CCc1nnsc1C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000115157327 325943189 /nfs/dbraw/zinc/94/31/89/325943189.db2.gz IMCKNIYFUSRANA-KRWDZBQOSA-N 0 3 374.510 2.276 10 0 FEAEHN CN(C)CCOc1ccc(CNC(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000116421371 326013442 /nfs/dbraw/zinc/01/34/42/326013442.db2.gz MOXNCBDEMWDJOC-QGZVFWFLSA-N 0 3 371.485 2.060 10 0 FEAEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116535070 326021542 /nfs/dbraw/zinc/02/15/42/326021542.db2.gz DPRAQWHECXMTOI-IEBWSBKVSA-N 0 3 355.486 2.092 10 0 FEAEHN Cc1ccccc1-n1ccnc1SCC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000116790310 326035793 /nfs/dbraw/zinc/03/57/93/326035793.db2.gz KBZMDAYZTZZBEA-MRXNPFEDSA-N 0 3 374.510 2.062 10 0 FEAEHN CCOCCN1CCN(c2cncc(-n3nc(C)cc3C)n2)C[C@H]1CC ZINC000116871408 326039339 /nfs/dbraw/zinc/03/93/39/326039339.db2.gz ZIUOWGKFWCWCII-QGZVFWFLSA-N 0 3 358.490 2.216 10 0 FEAEHN CN(C)C[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CCO1 ZINC000116900779 326041093 /nfs/dbraw/zinc/04/10/93/326041093.db2.gz VXPRQIIAPDLRJI-LBPRGKRZSA-N 0 3 367.298 2.086 10 0 FEAEHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccccc2-c2ccccc2)CCO1 ZINC000116901102 326041388 /nfs/dbraw/zinc/04/13/88/326041388.db2.gz XTRHHISUKFGFOZ-KRWDZBQOSA-N 0 3 360.479 2.305 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)C1 ZINC000117056753 326049444 /nfs/dbraw/zinc/04/94/44/326049444.db2.gz HNRUUJCOXGWMAP-UONOGXRCSA-N 0 3 368.428 2.212 10 0 FEAEHN Cc1cc(C)cc(OC[C@H](O)CN2CCCN(c3cccnn3)CC2)c1 ZINC000118005770 326076453 /nfs/dbraw/zinc/07/64/53/326076453.db2.gz PZEKEELOOMKIOD-GOSISDBHSA-N 0 3 356.470 2.045 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2ccc(Br)cc2F)CCO1 ZINC000118789857 326102500 /nfs/dbraw/zinc/10/25/00/326102500.db2.gz UUPZAPKGXHLEBJ-LLVKDONJSA-N 0 3 360.227 2.383 10 0 FEAEHN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000118804016 326103891 /nfs/dbraw/zinc/10/38/91/326103891.db2.gz SWIUYQLDXAGNML-MRXNPFEDSA-N 0 3 360.458 2.138 10 0 FEAEHN CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000119572961 326176647 /nfs/dbraw/zinc/17/66/47/326176647.db2.gz VCMCGSRNCOPJGX-DOTOQJQBSA-N 0 3 370.501 2.495 10 0 FEAEHN C[C@H](Cc1ccccc1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000119869043 326207333 /nfs/dbraw/zinc/20/73/33/326207333.db2.gz VISBVBFNQRDRHS-UTKZUKDTSA-N 0 3 352.478 2.401 10 0 FEAEHN C[C@@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)c1ncc(-c2ccccc2)o1 ZINC000121179527 326319427 /nfs/dbraw/zinc/31/94/27/326319427.db2.gz QMZLSOUZPAOZJT-ZBFHGGJFSA-N 0 3 358.442 2.375 10 0 FEAEHN COc1ccc(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)cc1Cl ZINC000121870844 326372845 /nfs/dbraw/zinc/37/28/45/326372845.db2.gz MCSHFPMAHLMXFE-CYBMUJFWSA-N 0 3 355.866 2.380 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)c2ccc(F)c(I)c2)C1 ZINC000152149354 326700084 /nfs/dbraw/zinc/70/00/84/326700084.db2.gz GCQCBFZXOJTLQQ-JTQLQIEISA-N 0 3 362.186 2.206 10 0 FEAEHN COc1cccc(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)c1F ZINC000153450954 326733307 /nfs/dbraw/zinc/73/33/07/326733307.db2.gz TXXXCFIGQYMSJU-UHFFFAOYSA-N 0 3 372.444 2.253 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCC(C)(C)N1CCCCC1)CC2 ZINC000155259282 326782747 /nfs/dbraw/zinc/78/27/47/326782747.db2.gz OZFOSCUMCXFWRI-OAHLLOKOSA-N 0 3 362.522 2.280 10 0 FEAEHN Cc1c(C(=O)N(C)C2CCN(CCn3cccn3)CC2)cnn1CC(C)C ZINC000162401477 327024766 /nfs/dbraw/zinc/02/47/66/327024766.db2.gz UYVOSSLBHYEONF-UHFFFAOYSA-N 0 3 372.517 2.281 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)C1 ZINC000164064950 327064193 /nfs/dbraw/zinc/06/41/93/327064193.db2.gz AGPLFJYHDSARIM-OAHLLOKOSA-N 0 3 359.499 2.473 10 0 FEAEHN Cc1ccc(C(=O)N2CC[C@H](N(C)C)C2)cc1I ZINC000170868686 327104198 /nfs/dbraw/zinc/10/41/98/327104198.db2.gz SJKSHGSAQDEOAS-LBPRGKRZSA-N 0 3 358.223 2.376 10 0 FEAEHN Cc1nc(C[C@H]2CCCN(C(=O)NCCN(C)Cc3ccccc3)C2)no1 ZINC000171352931 327134393 /nfs/dbraw/zinc/13/43/93/327134393.db2.gz PTMZRCDRTFRPLD-GOSISDBHSA-N 0 3 371.485 2.474 10 0 FEAEHN Cc1cccc(NC[C@@H]2CCN(Cc3cc(=O)n4ccsc4n3)C2)n1 ZINC000171652567 327151985 /nfs/dbraw/zinc/15/19/85/327151985.db2.gz GQZDFJXSCIHTBR-AWEZNQCLSA-N 0 3 355.467 2.393 10 0 FEAEHN Cc1c(C(=O)N2CCN3CCC[C@@H]3C2)nnn1-c1cccc2cnccc21 ZINC000171716489 327157516 /nfs/dbraw/zinc/15/75/16/327157516.db2.gz RBCILKFBQGNEFA-MRXNPFEDSA-N 0 3 362.437 2.044 10 0 FEAEHN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N1CCN2CCC[C@H]2C1 ZINC000171898986 327168250 /nfs/dbraw/zinc/16/82/50/327168250.db2.gz MZWGJPVAJCGJNW-SFHVURJKSA-N 0 3 353.470 2.479 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2csc(-c3c(F)cccc3F)n2)CCO1 ZINC000172307700 327194627 /nfs/dbraw/zinc/19/46/27/327194627.db2.gz IVQKLURBYRTTIK-LLVKDONJSA-N 0 3 367.421 2.491 10 0 FEAEHN Cc1cc(C)cc(OC[C@@H](O)CN2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000172840736 327221855 /nfs/dbraw/zinc/22/18/55/327221855.db2.gz UTEAWGZTRNGNDG-IBGZPJMESA-N 0 3 370.497 2.354 10 0 FEAEHN C[C@@H](N[C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccs1 ZINC000172872730 327224138 /nfs/dbraw/zinc/22/41/38/327224138.db2.gz JTGRYNUAASSDEH-KGLIPLIRSA-N 0 3 361.467 2.365 10 0 FEAEHN COCCN1CCC[C@H]1CNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173173879 327239026 /nfs/dbraw/zinc/23/90/26/327239026.db2.gz PWVZMORYMCWFBG-LPHOPBHVSA-N 0 3 371.485 2.343 10 0 FEAEHN C[C@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)Oc1ccccc1Cl ZINC000173204065 327240920 /nfs/dbraw/zinc/24/09/20/327240920.db2.gz OTOBCFZNZQIAEG-KGLIPLIRSA-N 0 3 355.866 2.079 10 0 FEAEHN COCCN1CCC(NC(=O)N2CCC[C@H](c3nc(C)cs3)C2)CC1 ZINC000173397019 327253495 /nfs/dbraw/zinc/25/34/95/327253495.db2.gz OXEKBBKNFLDTGP-HNNXBMFYSA-N 0 3 366.531 2.451 10 0 FEAEHN C[C@H](NC(=O)NC[C@@H](O)CN1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000173454659 327258381 /nfs/dbraw/zinc/25/83/81/327258381.db2.gz DJEVXGXRMTZTTQ-QFBILLFUSA-N 0 3 371.485 2.079 10 0 FEAEHN CCN(CC)[C@H](C(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1)c1ccccc1 ZINC000173514595 327262826 /nfs/dbraw/zinc/26/28/26/327262826.db2.gz CWFCIZLENPWBDK-SJORKVTESA-N 0 3 357.458 2.096 10 0 FEAEHN CCN(CC)[C@H](C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1)c1ccccc1 ZINC000173514595 327262828 /nfs/dbraw/zinc/26/28/28/327262828.db2.gz CWFCIZLENPWBDK-SJORKVTESA-N 0 3 357.458 2.096 10 0 FEAEHN CC[NH+](CC)[C@H](C(=O)N1CCO[C@@H](c2nnc(C)[n-]2)C1)c1ccccc1 ZINC000173514595 327262830 /nfs/dbraw/zinc/26/28/30/327262830.db2.gz CWFCIZLENPWBDK-SJORKVTESA-N 0 3 357.458 2.096 10 0 FEAEHN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000173522908 327263527 /nfs/dbraw/zinc/26/35/27/327263527.db2.gz NRTQPIAIDSMHNO-MRXNPFEDSA-N 0 3 362.861 2.237 10 0 FEAEHN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000173792647 327284432 /nfs/dbraw/zinc/28/44/32/327284432.db2.gz RJOXKBKQSODJHG-IUODEOHRSA-N 0 3 371.275 2.005 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000174232988 327314603 /nfs/dbraw/zinc/31/46/03/327314603.db2.gz MLAMOARGBPDWEB-KRWDZBQOSA-N 0 3 359.449 2.337 10 0 FEAEHN C[C@@H](SCC(=O)N1CCO[C@H](CN(C)C)C1)c1nc2ccccc2[nH]1 ZINC000174244998 327315400 /nfs/dbraw/zinc/31/54/00/327315400.db2.gz LQUPPBNTNZTIQQ-ZIAGYGMSSA-N 0 3 362.499 2.146 10 0 FEAEHN CN(C)C[C@@H](NC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2)c1ccccc1 ZINC000174582850 327336265 /nfs/dbraw/zinc/33/62/65/327336265.db2.gz JCEQMXFGTZUAOI-MRXNPFEDSA-N 0 3 368.437 2.466 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000175331979 327387673 /nfs/dbraw/zinc/38/76/73/327387673.db2.gz KBWXUSUVJPLXFL-AZUAARDMSA-N 0 3 358.530 2.045 10 0 FEAEHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176607412 327465745 /nfs/dbraw/zinc/46/57/45/327465745.db2.gz FYGJMKAPOAOPAE-MRXNPFEDSA-N 0 3 360.437 2.026 10 0 FEAEHN C[C@H]1CN(C(=O)NCc2ccccc2CN2CCC(O)CC2)CCS1 ZINC000176653014 327468448 /nfs/dbraw/zinc/46/84/48/327468448.db2.gz TXQMVGXDBXKHMF-HNNXBMFYSA-N 0 3 363.527 2.290 10 0 FEAEHN C[C@H](C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1)[C@@H](N)c1ccccc1 ZINC000246554305 328627254 /nfs/dbraw/zinc/62/72/54/328627254.db2.gz UBZBGQWAMNQJAQ-IOMROCGXSA-N 0 3 367.493 2.200 10 0 FEAEHN N[C@H](C(=O)N[C@@H]1CCc2c1cccc2Br)C1CCOCC1 ZINC000262031289 328836702 /nfs/dbraw/zinc/83/67/02/328836702.db2.gz PJLAOKGWHGHJNO-CABCVRRESA-N 0 3 353.260 2.307 10 0 FEAEHN Cc1cccc(C(=O)N[C@H](c2nc([C@@H]3CNCCN3C)no2)C(C)C)c1 ZINC000263217807 328925920 /nfs/dbraw/zinc/92/59/20/328925920.db2.gz LEAZFBIREJRRRG-HOTGVXAUSA-N 0 3 357.458 2.081 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(CCc2cc(Br)cs2)n1 ZINC000263314660 328932408 /nfs/dbraw/zinc/93/24/08/328932408.db2.gz ZHJLDKQRLVZDKL-LLVKDONJSA-N 0 3 357.277 2.255 10 0 FEAEHN Cc1ccc(OC[C@@H](O)CN(C)[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000247562973 549358663 /nfs/dbraw/zinc/35/86/63/549358663.db2.gz GFYIZMBHNDMGLQ-ROUUACIJSA-N 0 3 356.470 2.126 10 0 FEAEHN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000156534038 545633785 /nfs/dbraw/zinc/63/37/85/545633785.db2.gz SNAOQVNMSHGTOY-UHFFFAOYSA-N 0 3 369.513 2.057 10 0 FEAEHN CCn1cnnc1C1CCN(C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000158975057 545910512 /nfs/dbraw/zinc/91/05/12/545910512.db2.gz BQSNLADSVZZBSS-MRXNPFEDSA-N 0 3 369.469 2.399 10 0 FEAEHN Cc1cccc(C)c1OCC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000159182583 545929313 /nfs/dbraw/zinc/92/93/13/545929313.db2.gz VNRLAWXGPXTGPE-FQEVSTJZSA-N 0 3 368.477 2.218 10 0 FEAEHN COc1ccccc1[C@H](CNC(=O)N1CC[C@H](N(C)C)C1)N1CCCC1 ZINC000170862937 546180461 /nfs/dbraw/zinc/18/04/61/546180461.db2.gz OTZSPHGLTHKXMB-WMZOPIPTSA-N 0 3 360.502 2.178 10 0 FEAEHN CCCS(=O)(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000175843039 546360483 /nfs/dbraw/zinc/36/04/83/546360483.db2.gz WHXOZDFOBUTZFX-GOSISDBHSA-N 0 3 354.516 2.104 10 0 FEAEHN CC[C@H](CNC(=O)NC[C@@H](O)CN1CCCCC1)Oc1ccccc1F ZINC000175962942 546380953 /nfs/dbraw/zinc/38/09/53/546380953.db2.gz OPTCEFYROSJADN-HZPDHXFCSA-N 0 3 367.465 2.129 10 0 FEAEHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2ccc(-c3ncon3)cc2)CC1 ZINC000175966869 546382090 /nfs/dbraw/zinc/38/20/90/546382090.db2.gz GXSPRBJAYWOADB-HNNXBMFYSA-N 0 3 372.473 2.132 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 ZINC000176290178 546427925 /nfs/dbraw/zinc/42/79/25/546427925.db2.gz OCWYAOIEOQJILE-QGZVFWFLSA-N 0 3 372.469 2.284 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccccc1CN1C(=O)CCC1=O ZINC000176326988 546432697 /nfs/dbraw/zinc/43/26/97/546432697.db2.gz DJMAHTKUGAFEBO-MRXNPFEDSA-N 0 3 372.469 2.284 10 0 FEAEHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCn3ncnc32)CCN1Cc1ccccc1 ZINC000176583238 546464656 /nfs/dbraw/zinc/46/46/56/546464656.db2.gz MDGNWAHSRHWDSP-KBAYOESNSA-N 0 3 368.485 2.465 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(F)cc1OC(F)F ZINC000176905081 546505281 /nfs/dbraw/zinc/50/52/81/546505281.db2.gz PMTYILWTGPZRES-GFCCVEGCSA-N 0 3 373.375 2.308 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C[C@@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000176983596 546518604 /nfs/dbraw/zinc/51/86/04/546518604.db2.gz SXJJEHDIJPVZFT-ZWKOTPCHSA-N 0 3 366.550 2.397 10 0 FEAEHN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@H]2Cn2ccnc2C)n[nH]1 ZINC000177184922 546564941 /nfs/dbraw/zinc/56/49/41/546564941.db2.gz VAZAMCWQJJEBLK-HNNXBMFYSA-N 0 3 367.457 2.237 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000177326692 546595267 /nfs/dbraw/zinc/59/52/67/546595267.db2.gz IZSOYJSPJTYHCF-UXHICEINSA-N 0 3 374.529 2.186 10 0 FEAEHN O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@@H]1CCCn2ncnc21 ZINC000177356206 546600156 /nfs/dbraw/zinc/60/01/56/546600156.db2.gz NNDKYKAWKFBTJA-IAGOWNOFSA-N 0 3 354.458 2.249 10 0 FEAEHN CN(C)CCOc1ccc(CNC(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000177387710 546607594 /nfs/dbraw/zinc/60/75/94/546607594.db2.gz IJXKYMQRHGYTKW-GOSISDBHSA-N 0 3 371.485 2.198 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCCN1CCc2sccc2C1 ZINC000177424470 546615087 /nfs/dbraw/zinc/61/50/87/546615087.db2.gz KUPKNBGZPYFBNR-INIZCTEOSA-N 0 3 350.532 2.232 10 0 FEAEHN COCCCN(C)CCNC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000177561680 546645407 /nfs/dbraw/zinc/64/54/07/546645407.db2.gz XZAVYKPUJBXGCR-CQSZACIVSA-N 0 3 353.467 2.008 10 0 FEAEHN CCCCCc1ccc(NC(=O)C(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000177675670 546664952 /nfs/dbraw/zinc/66/49/52/546664952.db2.gz WDSSFAPYHQCZIR-GOSISDBHSA-N 0 3 361.486 2.147 10 0 FEAEHN CCN1CCC[C@H]1CN(C)[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000177699062 546670136 /nfs/dbraw/zinc/67/01/36/546670136.db2.gz SZGHNEGKUZFSEZ-ICSRJNTNSA-N 0 3 358.530 2.140 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)[C@@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000177704920 546671183 /nfs/dbraw/zinc/67/11/83/546671183.db2.gz CWNYMIHTWLBXHE-ZWKOTPCHSA-N 0 3 374.529 2.163 10 0 FEAEHN Cc1cc(Br)ccc1NC(=O)CN1CCN2CCC[C@@H]2C1 ZINC000178627242 546823300 /nfs/dbraw/zinc/82/33/00/546823300.db2.gz LZMASUIBRUWFCN-CQSZACIVSA-N 0 3 352.276 2.476 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000178749676 546843208 /nfs/dbraw/zinc/84/32/08/546843208.db2.gz OMPIYHLRHGOSGQ-GJZGRUSLSA-N 0 3 358.408 2.457 10 0 FEAEHN CCN1CCN(C(=O)[C@@H](C)N[C@@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000180668765 547154099 /nfs/dbraw/zinc/15/40/99/547154099.db2.gz LKSIFEWSXYJTNI-DLBZAZTESA-N 0 3 355.486 2.076 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000181065000 547241644 /nfs/dbraw/zinc/24/16/44/547241644.db2.gz KXGICOJQROVBDU-HKUYNNGSSA-N 0 3 370.501 2.220 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(C2OCCO2)CC1 ZINC000181058537 547241662 /nfs/dbraw/zinc/24/16/62/547241662.db2.gz TWUIZWBJYTUARI-INIZCTEOSA-N 0 3 361.486 2.301 10 0 FEAEHN CC(C)n1cnnc1-c1ccccc1NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000181229220 547275149 /nfs/dbraw/zinc/27/51/49/547275149.db2.gz UCAMLPWUACWQGB-OAHLLOKOSA-N 0 3 372.473 2.320 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)C[C@H](NC(N)=O)c1cccs1 ZINC000182092586 547436138 /nfs/dbraw/zinc/43/61/38/547436138.db2.gz UDRPXFILHNEZRT-HOCLYGCPSA-N 0 3 374.510 2.484 10 0 FEAEHN C[C@H](NCC(=O)Nc1cccc(I)c1)[C@@H]1CCCO1 ZINC000183126721 547606749 /nfs/dbraw/zinc/60/67/49/547606749.db2.gz CZMKZEBCKWDXFH-GWCFXTLKSA-N 0 3 374.222 2.387 10 0 FEAEHN CCC[C@H](C(=O)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1)N(C)C ZINC000183240555 547625196 /nfs/dbraw/zinc/62/51/96/547625196.db2.gz LRDFKAQJWVILRZ-XUWVNRHRSA-N 0 3 353.507 2.478 10 0 FEAEHN COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCO[C@@H](CN(C)C)C1 ZINC000183592554 547686500 /nfs/dbraw/zinc/68/65/00/547686500.db2.gz XNIUHRFSDXXOHS-NHYWBVRUSA-N 0 3 361.269 2.470 10 0 FEAEHN CN(C)C[C@@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)CCO1 ZINC000184968858 547908870 /nfs/dbraw/zinc/90/88/70/547908870.db2.gz CHCPITAURSXKIP-GFCCVEGCSA-N 0 3 353.264 2.088 10 0 FEAEHN CN(C)C[C@@H]1CN(Cc2nc3ccc(Br)cc3[nH]2)CCO1 ZINC000184968858 547908873 /nfs/dbraw/zinc/90/88/73/547908873.db2.gz CHCPITAURSXKIP-GFCCVEGCSA-N 0 3 353.264 2.088 10 0 FEAEHN C[C@@H](O)CN1CCN(Cc2nc3ccc(Br)cc3[nH]2)C[C@@H]1C ZINC000184966802 547909293 /nfs/dbraw/zinc/90/92/93/547909293.db2.gz KNWZCSWXIUJROT-NWDGAFQWSA-N 0 3 367.291 2.212 10 0 FEAEHN C[C@@H](NC(=O)N[C@@H](C)CCN1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000185455129 547987919 /nfs/dbraw/zinc/98/79/19/547987919.db2.gz VSTPJXMPOOJHPS-UONOGXRCSA-N 0 3 354.445 2.351 10 0 FEAEHN CNC(=O)c1cccc(CN2CC[C@H](CN(C)Cc3cccnc3)C2)c1 ZINC000195289809 548613733 /nfs/dbraw/zinc/61/37/33/548613733.db2.gz QYXSFAQPLQJTJH-LJQANCHMSA-N 0 3 352.482 2.395 10 0 FEAEHN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000195312235 548619322 /nfs/dbraw/zinc/61/93/22/548619322.db2.gz CDAIBWPFJAUCDM-DOTOQJQBSA-N 0 3 361.511 2.362 10 0 FEAEHN O=C(c1cc2c(c(Br)c1)OCO2)N1CCN2CCC[C@@H]2C1 ZINC000195337444 548627185 /nfs/dbraw/zinc/62/71/85/548627185.db2.gz PVEBPDNAGMBZSH-LLVKDONJSA-N 0 3 353.216 2.098 10 0 FEAEHN COC(=O)[C@@H]1CCCN(C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000245404702 548908602 /nfs/dbraw/zinc/90/86/02/548908602.db2.gz QEMKSGMEIJGVDK-TZMCWYRMSA-N 0 3 372.259 2.074 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000245423584 548914284 /nfs/dbraw/zinc/91/42/84/548914284.db2.gz BNJBMLYKYZBHQJ-QZTJIDSGSA-N 0 3 359.470 2.360 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000245435117 548918179 /nfs/dbraw/zinc/91/81/79/548918179.db2.gz SIGLYILKUFNXIQ-OALUTQOASA-N 0 3 357.498 2.482 10 0 FEAEHN O[C@@H](Cc1ccc(C(F)(F)F)cc1)CN1CC[C@@H](N2CCOCC2)C1 ZINC000246102353 549052754 /nfs/dbraw/zinc/05/27/54/549052754.db2.gz LETUJJSMFLGKJM-SJORKVTESA-N 0 3 358.404 2.015 10 0 FEAEHN CCn1cnnc1[C@H]1CCCN(C[C@@H](O)COCc2ccccc2F)C1 ZINC000246230759 549085033 /nfs/dbraw/zinc/08/50/33/549085033.db2.gz RIHGUZROBNSJNU-DOTOQJQBSA-N 0 3 362.449 2.194 10 0 FEAEHN CC[C@@H](NC(=O)CN1CCO[C@@H](CN(C)C)C1)c1ccc(Cl)cc1 ZINC000246242653 549088112 /nfs/dbraw/zinc/08/81/12/549088112.db2.gz DIVLYAWNSSQJNC-DLBZAZTESA-N 0 3 353.894 2.170 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000246382822 549120318 /nfs/dbraw/zinc/12/03/18/549120318.db2.gz JZAZMYCOGWYJLO-MAUKXSAKSA-N 0 3 374.485 2.009 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000246404475 549125833 /nfs/dbraw/zinc/12/58/33/549125833.db2.gz LPAQKAFIGIYJLV-MAUKXSAKSA-N 0 3 374.485 2.009 10 0 FEAEHN CC(C)N(C)c1cccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000246428402 549130917 /nfs/dbraw/zinc/13/09/17/549130917.db2.gz MYTNUCTWEKSEQE-CRAIPNDOSA-N 0 3 360.502 2.315 10 0 FEAEHN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000246438148 549133197 /nfs/dbraw/zinc/13/31/97/549133197.db2.gz DOSMPDXPCJMMBT-SJLPKXTDSA-N 0 3 372.513 2.475 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1nn(-c2ccccc2)c(C)cc1=O ZINC000246515915 549151224 /nfs/dbraw/zinc/15/12/24/549151224.db2.gz HFGRJCHBAPWEGB-AEFFLSMTSA-N 0 3 366.465 2.240 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)C1 ZINC000246705355 549192309 /nfs/dbraw/zinc/19/23/09/549192309.db2.gz IZJLFDGPYUEDBP-HOTGVXAUSA-N 0 3 352.523 2.055 10 0 FEAEHN CC(C)(C)OC(=O)NC(C)(C)c1noc(CN2CCN3CCC[C@H]3C2)n1 ZINC000246798523 549215779 /nfs/dbraw/zinc/21/57/79/549215779.db2.gz QPLJEWRBGHBFJK-ZDUSSCGKSA-N 0 3 365.478 2.109 10 0 FEAEHN C[C@H](O)CN1CCN(CCc2nc(-c3ccc(Cl)cc3)no2)C[C@H]1C ZINC000247006364 549263087 /nfs/dbraw/zinc/26/30/87/549263087.db2.gz NOASRDXTSRDMOB-KGLIPLIRSA-N 0 3 364.877 2.319 10 0 FEAEHN COc1ccccc1C(=O)N[C@H](C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)C(C)C ZINC000247083923 549280602 /nfs/dbraw/zinc/28/06/02/549280602.db2.gz XVLRETRMQUVYSC-VCBZYWHSSA-N 0 3 373.497 2.191 10 0 FEAEHN COc1ccccc1CNC(=O)[C@@H](C)N1CCC[C@@H]1Cn1ccnc1C ZINC000247218445 549300809 /nfs/dbraw/zinc/30/08/09/549300809.db2.gz YIMDJPHQCIDTDY-CRAIPNDOSA-N 0 3 356.470 2.369 10 0 FEAEHN Cc1ccc(CCN(C[C@@H](O)CN2CCCC2=O)C[C@@H]2CCCO2)cc1 ZINC000247642859 549367838 /nfs/dbraw/zinc/36/78/38/549367838.db2.gz TWYIWAJYWPSDJG-UXHICEINSA-N 0 3 360.498 2.002 10 0 FEAEHN C[C@H](O)CN1CCN(Cc2cc3c(c(Br)c2)OCO3)C[C@@H]1C ZINC000247735409 549375860 /nfs/dbraw/zinc/37/58/60/549375860.db2.gz MSORWJBWAQXYSZ-RYUDHWBXSA-N 0 3 371.275 2.065 10 0 FEAEHN C[C@H](N[C@H](CO)c1ccccc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000248461301 549443949 /nfs/dbraw/zinc/44/39/49/549443949.db2.gz XHSWIYAXYUGLHW-DZFGPLHGSA-N 0 3 367.493 2.089 10 0 FEAEHN Cc1ccc(NC(=O)c2nnc(CN3CCN4CCC[C@H]4C3)s2)cc1 ZINC000248521548 549452803 /nfs/dbraw/zinc/45/28/03/549452803.db2.gz BOOIMHUYMDHPPB-HNNXBMFYSA-N 0 3 357.483 2.379 10 0 FEAEHN Cc1c(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)nnn1Cc1ccc(F)cc1 ZINC000248889567 549522322 /nfs/dbraw/zinc/52/23/22/549522322.db2.gz VVYGRYBOOKDWPQ-DYVFJYSZSA-N 0 3 359.449 2.232 10 0 FEAEHN CC(C)(C)OC[C@H](O)CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000249738413 549621819 /nfs/dbraw/zinc/62/18/19/549621819.db2.gz WZROFIKLRVGOPR-HZPDHXFCSA-N 0 3 350.507 2.360 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)[C@@H](O)c2ccccc2)C1 ZINC000251850374 549655861 /nfs/dbraw/zinc/65/58/61/549655861.db2.gz PYHDNTILOSWLMO-QAPCUYQASA-N 0 3 359.495 2.465 10 0 FEAEHN COc1cccc(N2CC[C@H](CNC(=O)N3CCN4CCC[C@H]4C3)C2)c1 ZINC000252441798 549664661 /nfs/dbraw/zinc/66/46/61/549664661.db2.gz AUDJOGBVDAWXBS-AEFFLSMTSA-N 0 3 358.486 2.011 10 0 FEAEHN CCCOc1ccc([C@@H](C)NC(=O)[C@@H](N)C2CCOCC2)cc1OC ZINC000261891375 549767011 /nfs/dbraw/zinc/76/70/11/549767011.db2.gz VPJPPDFHTSYKSI-ACJLOTCBSA-N 0 3 350.459 2.415 10 0 FEAEHN COc1ccc(Oc2cc(CNC(=O)C3(N)CCOCC3)ccn2)cc1 ZINC000261948560 549772673 /nfs/dbraw/zinc/77/26/73/549772673.db2.gz YPUNZXMSUCJQQC-UHFFFAOYSA-N 0 3 357.410 2.007 10 0 FEAEHN Cc1nc(-c2nc([C@@H]3CNCCN3C)no2)nn1-c1ccccc1C(C)C ZINC000263131073 549880010 /nfs/dbraw/zinc/88/00/10/549880010.db2.gz BSHHYSIQYDCILE-INIZCTEOSA-N 0 3 367.457 2.325 10 0 FEAEHN CC(C)CC(=O)Nc1ccc(-c2nc([C@@H]3CNCCN3C)no2)cc1F ZINC000263193572 549884629 /nfs/dbraw/zinc/88/46/29/549884629.db2.gz IEIYJEIRBSGBHJ-HNNXBMFYSA-N 0 3 361.421 2.436 10 0 FEAEHN CC(C)c1ccc(N2CC[C@@H](c3nc([C@H]4CNCCN4C)no3)C2=O)cc1 ZINC000263218819 549886689 /nfs/dbraw/zinc/88/66/89/549886689.db2.gz LMLHUVIIARQWEC-DLBZAZTESA-N 0 3 369.469 2.290 10 0 FEAEHN CC(=O)Nc1cc(-c2nc([C@@H]3CNCCN3C)no2)cc(C(F)(F)F)c1 ZINC000263251899 549889791 /nfs/dbraw/zinc/88/97/91/549889791.db2.gz QBIJRJPAHWCLLM-ZDUSSCGKSA-N 0 3 369.347 2.290 10 0 FEAEHN CN1CCNC[C@H]1c1noc(CN[C@@H](c2ccccc2)C(F)(F)F)n1 ZINC000263261375 549890081 /nfs/dbraw/zinc/89/00/81/549890081.db2.gz QZKDUASXJKLMSJ-JSGCOSHPSA-N 0 3 355.364 2.039 10 0 FEAEHN Cc1nn(-c2ccc(F)cc2)c(C)c1-c1nc([C@@H]2CNCCN2C)no1 ZINC000263289375 549892549 /nfs/dbraw/zinc/89/25/49/549892549.db2.gz VMOYGAOVLNPNEC-HNNXBMFYSA-N 0 3 356.405 2.254 10 0 FEAEHN C[C@H]1CCN(c2nn3c(nccc3=O)s2)CCN1Cc1ccccc1 ZINC000301435117 553651592 /nfs/dbraw/zinc/65/15/92/553651592.db2.gz KAQJKSCZMABAOU-AWEZNQCLSA-N 0 3 355.467 2.252 10 0 FEAEHN CCc1cc(N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)n2ncnc2n1 ZINC000301594440 553664281 /nfs/dbraw/zinc/66/42/81/553664281.db2.gz YPIXYZBNNCHDMI-HZPDHXFCSA-N 0 3 372.517 2.402 10 0 FEAEHN CCN1CCO[C@@H](CNCc2cccc(I)c2)C1 ZINC000310756329 553754404 /nfs/dbraw/zinc/75/44/04/553754404.db2.gz NOTVAFGXMNROAX-AWEZNQCLSA-N 0 3 360.239 2.102 10 0 FEAEHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN(Cc1ccccc1)C1CC1 ZINC000025751421 568193519 /nfs/dbraw/zinc/19/35/19/568193519.db2.gz ZDYAMCLIXGNVOZ-KRWDZBQOSA-N 0 3 350.418 2.308 10 0 FEAEHN Cc1ccc(-c2nn(CN3CCO[C@@H](CN(C)C)C3)c(=S)n2C)cc1 ZINC000153006226 672192241 /nfs/dbraw/zinc/19/22/41/672192241.db2.gz HYNKHICJZFSQHJ-INIZCTEOSA-N 0 3 361.515 2.146 10 0 FEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000237024019 672805334 /nfs/dbraw/zinc/80/53/34/672805334.db2.gz PXJONDZYSPXEKN-ZWNOBZJWSA-N 0 3 366.263 2.401 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000246128510 672830942 /nfs/dbraw/zinc/83/09/42/672830942.db2.gz IUEBQIDAULEWTJ-GJZGRUSLSA-N 0 3 354.495 2.169 10 0 FEAEHN CC[C@@H]1CCc2c(sc(=O)n2CN2CCN(CCOC)[C@@H](CC)C2)C1 ZINC000247105406 672846375 /nfs/dbraw/zinc/84/63/75/672846375.db2.gz MXCSSCZBFVNUFN-CVEARBPZSA-N 0 3 367.559 2.425 10 0 FEAEHN COc1ccc2c(c1)C=C(S(=O)(=O)N1C[C@@H]3CCCN3C[C@@H]1C)CC2 ZINC000248588852 672858771 /nfs/dbraw/zinc/85/87/71/672858771.db2.gz GSGNPBPPCUEXLZ-YOEHRIQHSA-N 0 3 362.495 2.481 10 0 FEAEHN CCOC(=O)N1CCC([C@@H](C)NC(=O)N[C@H]2CCCN(CC)C2)CC1 ZINC000249279721 672868757 /nfs/dbraw/zinc/86/87/57/672868757.db2.gz OUYXSJGRFKZFLI-ZBFHGGJFSA-N 0 3 354.495 2.027 10 0 FEAEHN COC(=O)/C=C1\SCC(=O)N1CCCN1CCC[C@@H]1c1ccco1 ZINC000255500140 672891733 /nfs/dbraw/zinc/89/17/33/672891733.db2.gz WRQWQDMFARKKQP-YYTPVVGHSA-N 0 3 350.440 2.396 10 0 FEAEHN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNCc2ccc(F)c(F)c2F)C1 ZINC000702760530 673058574 /nfs/dbraw/zinc/05/85/74/673058574.db2.gz CZCNMHBWKPMIHY-WCQYABFASA-N 0 3 360.376 2.421 10 0 FEAEHN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNCc2ccc(F)c(F)c2F)C1 ZINC000702760531 673058598 /nfs/dbraw/zinc/05/85/98/673058598.db2.gz CZCNMHBWKPMIHY-YPMHNXCESA-N 0 3 360.376 2.421 10 0 FEAEHN O[C@H](Cc1ccccc1)CN(CCN1CCOCC1)Cc1ccccc1 ZINC000036096709 539987155 /nfs/dbraw/zinc/98/71/55/539987155.db2.gz RKJWNJYEHWYNOL-JOCHJYFZSA-N 0 3 354.494 2.424 10 0 FEAEHN Cc1ccc(NC(=O)N[C@H](CN(C)C)c2ccccc2)cc1-n1cnnn1 ZINC000044246470 540120898 /nfs/dbraw/zinc/12/08/98/540120898.db2.gz MHSQBBPAIQATJB-QGZVFWFLSA-N 0 3 365.441 2.395 10 0 FEAEHN CCN1CCC[C@@H]1CNC(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C ZINC000044572516 540131346 /nfs/dbraw/zinc/13/13/46/540131346.db2.gz CQGDNUALTLRCPU-CXAGYDPISA-N 0 3 367.440 2.320 10 0 FEAEHN CC(C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)Cc1nc(C2CC2)no1 ZINC000046137282 540243809 /nfs/dbraw/zinc/24/38/09/540243809.db2.gz TXADHWQPTSUILC-RYUDHWBXSA-N 0 3 363.439 2.128 10 0 FEAEHN CN(C)C[C@H](NC(=O)NCCc1cn2ccccc2n1)c1ccccc1 ZINC000048216984 540351934 /nfs/dbraw/zinc/35/19/34/540351934.db2.gz BXLOWBBZGBVLNY-SFHVURJKSA-N 0 3 351.454 2.479 10 0 FEAEHN COc1ccc([C@H](C)NC(=O)NC[C@@H](O)CN2CCCCC2)cc1F ZINC000049174575 540383604 /nfs/dbraw/zinc/38/36/04/540383604.db2.gz KBIVJSNIXXEHKF-DZGCQCFKSA-N 0 3 353.438 2.041 10 0 FEAEHN COC(=O)c1cc(CN(C)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)oc1C ZINC000247383676 549326951 /nfs/dbraw/zinc/32/69/51/549326951.db2.gz PYUXAHWAXBIMKD-MLGOLLRUSA-N 0 3 351.447 2.245 10 0 FEAEHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H](C)N1CCOCC1 ZINC000067045224 541409981 /nfs/dbraw/zinc/40/99/81/541409981.db2.gz HZJAPHZLRDHMAG-KRWDZBQOSA-N 0 3 362.518 2.000 10 0 FEAEHN COCCOCc1cc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)ccc1F ZINC000247381774 549327106 /nfs/dbraw/zinc/32/71/06/549327106.db2.gz PUTHMFMPGMLICY-RDTXWAMCSA-N 0 3 352.450 2.447 10 0 FEAEHN COc1ccc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)cc1 ZINC000072141581 541787368 /nfs/dbraw/zinc/78/73/68/541787368.db2.gz GVTDNBFHHGJWPK-MOPGFXCFSA-N 0 3 352.434 2.244 10 0 FEAEHN CN(C)CCN1CC2(CCN(Cc3cc(C(C)(C)C)n[nH]3)CC2)OC1=O ZINC000072418434 541808294 /nfs/dbraw/zinc/80/82/94/541808294.db2.gz GIKPAGUOODSEOJ-UHFFFAOYSA-N 0 3 363.506 2.056 10 0 FEAEHN COc1ccccc1CN[C@H]1CCc2c(c(C(=O)N3CCCC3)nn2C)C1 ZINC000014731227 220131335 /nfs/dbraw/zinc/13/13/35/220131335.db2.gz JZUYEQZTMOFNRO-INIZCTEOSA-N 0 3 368.481 2.312 10 0 FEAEHN COc1ccc(-n2cnnn2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 ZINC000022445088 220387471 /nfs/dbraw/zinc/38/74/71/220387471.db2.gz DZYPLFAASKBQBS-ICSRJNTNSA-N 0 3 364.453 2.254 10 0 FEAEHN C[C@@H](NC(=O)NCCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCCO1 ZINC000080010495 542557842 /nfs/dbraw/zinc/55/78/42/542557842.db2.gz INYSRQPYJAUVCK-QUCCMNQESA-N 0 3 374.529 2.456 10 0 FEAEHN Cc1ccc2c(c1)N(Cc1ccc(C(=O)NCCN(C)C)cc1)C(=O)CO2 ZINC000004562281 132823589 /nfs/dbraw/zinc/82/35/89/132823589.db2.gz MHHUJUIWKFBNAE-UHFFFAOYSA-N 0 3 367.449 2.212 10 0 FEAEHN Cc1csc([C@@H]2CCCN(Cc3cnc(N4CCN(C)CC4)nc3)C2)n1 ZINC000092788247 542887616 /nfs/dbraw/zinc/88/76/16/542887616.db2.gz DPMYLRFHCCKRHC-QGZVFWFLSA-N 0 3 372.542 2.373 10 0 FEAEHN CN(C)CCOc1ccccc1CNC(=O)N1CCN2CCCC[C@H]2C1 ZINC000105205425 543164278 /nfs/dbraw/zinc/16/42/78/543164278.db2.gz FWZBRUSAFVNHFM-SFHVURJKSA-N 0 3 360.502 2.007 10 0 FEAEHN O=C(CCN1CCCN(c2cccnn2)CC1)N1CCc2sccc2C1 ZINC000106068753 543187876 /nfs/dbraw/zinc/18/78/76/543187876.db2.gz UMPSBRAPQSZPGO-UHFFFAOYSA-N 0 3 371.510 2.025 10 0 FEAEHN Cc1ccc(C)c(OC[C@H](O)CN2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000106071683 543189233 /nfs/dbraw/zinc/18/92/33/543189233.db2.gz FRDJOMMFGBTEGC-LJQANCHMSA-N 0 3 370.497 2.354 10 0 FEAEHN CC[C@@H]1CN(C[C@H](O)COCc2ccc(Cl)cc2)CCN1CCOC ZINC000106113200 543200451 /nfs/dbraw/zinc/20/04/51/543200451.db2.gz UUEOZNXZAWVYDJ-MOPGFXCFSA-N 0 3 370.921 2.260 10 0 FEAEHN CN(CC(=O)Nc1cccc(F)c1)C1CCN(CCn2cccn2)CC1 ZINC000106130342 543206075 /nfs/dbraw/zinc/20/60/75/543206075.db2.gz RCRBWBSTQAHUDI-UHFFFAOYSA-N 0 3 359.449 2.057 10 0 FEAEHN COc1ccc2c(CN3CCC[C@@H](Cn4cncn4)C3)cc(=O)oc2c1 ZINC000106176413 543213816 /nfs/dbraw/zinc/21/38/16/543213816.db2.gz PWGKFDJEQDYOPT-CQSZACIVSA-N 0 3 354.410 2.305 10 0 FEAEHN CN(C)[C@H](Cc1ccccc1)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000106426224 543229778 /nfs/dbraw/zinc/22/97/78/543229778.db2.gz FJIXQFRPABOBRI-HXUWFJFHSA-N 0 3 373.541 2.311 10 0 FEAEHN C[C@H](NC(=O)[C@H](C)N1CCO[C@H](CN(C)C)C1)c1ccc2c(c1)CCCC2 ZINC000111690679 543411927 /nfs/dbraw/zinc/41/19/27/543411927.db2.gz MUFGHZADDPGWHU-XGHQBKJUSA-N 0 3 373.541 2.394 10 0 FEAEHN C[C@H](NC[C@@H]1CN(C)CCO1)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000112548815 543451348 /nfs/dbraw/zinc/45/13/48/543451348.db2.gz WGSKXSXMIOGMOV-XYJFISCASA-N 0 3 355.482 2.326 10 0 FEAEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1)CC2 ZINC000112550904 543451422 /nfs/dbraw/zinc/45/14/22/543451422.db2.gz LNUXINWBVHLJCP-HLLBOEOZSA-N 0 3 355.486 2.053 10 0 FEAEHN CCc1nc2n(n1)C[C@@H](N[C@H](C)C(=O)NCc1ccccc1Cl)CC2 ZINC000112550648 543451471 /nfs/dbraw/zinc/45/14/71/543451471.db2.gz FVCGTPTUGZYVQC-OCCSQVGLSA-N 0 3 361.877 2.103 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](N[C@H](C)C(=O)NCCc1ccc(F)cc1)CC2 ZINC000112552056 543452051 /nfs/dbraw/zinc/45/20/51/543452051.db2.gz YRLGHNUVPYNWCK-PBHICJAKSA-N 0 3 373.476 2.192 10 0 FEAEHN Cc1ccc(-n2cnnc2SCC(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1 ZINC000113227598 543478359 /nfs/dbraw/zinc/47/83/59/543478359.db2.gz GAQUWNYVWRIXCL-RDJZCZTQSA-N 0 3 371.510 2.363 10 0 FEAEHN Cc1noc(C)c1CCC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000114413916 543514518 /nfs/dbraw/zinc/51/45/18/543514518.db2.gz XRPCSPALMKTPTC-UHFFFAOYSA-N 0 3 371.485 2.029 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)c3cccc(N(C)C)c3)CC2)nc1 ZINC000114539321 543522662 /nfs/dbraw/zinc/52/26/62/543522662.db2.gz VMVLWFJIDUVTJO-UHFFFAOYSA-N 0 3 367.497 2.172 10 0 FEAEHN COc1cccc(C(=O)N(C)C2CCN(CCn3cccn3)CC2)c1OC ZINC000114689775 543530000 /nfs/dbraw/zinc/53/00/00/543530000.db2.gz DAJVTHVECUQHRW-UHFFFAOYSA-N 0 3 372.469 2.137 10 0 FEAEHN CCc1nc(COc2ccc(C(=O)N[C@H]3CCCN(CC)C3)cc2)no1 ZINC000115371932 543562924 /nfs/dbraw/zinc/56/29/24/543562924.db2.gz ZDONZRCDGZCIFG-HNNXBMFYSA-N 0 3 358.442 2.425 10 0 FEAEHN CN1CCC(NC(=O)c2n[nH]cc2NC(=O)c2ccccc2Cl)CC1 ZINC000115750914 543583962 /nfs/dbraw/zinc/58/39/62/543583962.db2.gz ACUPIGXTJZBOMS-UHFFFAOYSA-N 0 3 361.833 2.139 10 0 FEAEHN CN1CCC(NC(=O)c2[nH]ncc2NC(=O)c2ccccc2Cl)CC1 ZINC000115750914 543583965 /nfs/dbraw/zinc/58/39/65/543583965.db2.gz ACUPIGXTJZBOMS-UHFFFAOYSA-N 0 3 361.833 2.139 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)C1 ZINC000247486869 549342714 /nfs/dbraw/zinc/34/27/14/549342714.db2.gz WPBPODWRZNSCNW-OIISXLGYSA-N 0 3 363.527 2.127 10 0 FEAEHN Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](N(C)C)C2)sc1Br ZINC000124015498 543796921 /nfs/dbraw/zinc/79/69/21/543796921.db2.gz JNKXDVXYCIGCFG-NXEZZACHSA-N 0 3 367.334 2.390 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cncc(I)c1 ZINC000126381439 543933166 /nfs/dbraw/zinc/93/31/66/543933166.db2.gz FEAMAISDPATYOQ-ZDUSSCGKSA-N 0 3 373.238 2.243 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1cccn(CC(F)(F)F)c1=O ZINC000127156143 543976195 /nfs/dbraw/zinc/97/61/95/543976195.db2.gz BCLBNSLNAMCFBH-LBPRGKRZSA-N 0 3 360.380 2.359 10 0 FEAEHN C[C@@H](O)CN1CCN(CCOc2ccccc2Br)C[C@@H]1C ZINC000126635874 543948109 /nfs/dbraw/zinc/94/81/09/543948109.db2.gz GZVJUQBZPVZQOB-UONOGXRCSA-N 0 3 357.292 2.215 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)N1CCC[C@H](NC(C)=O)C1)c1ccccc1 ZINC000126909870 543963033 /nfs/dbraw/zinc/96/30/33/543963033.db2.gz PNIBOVNPYLLWSR-OALUTQOASA-N 0 3 360.502 2.380 10 0 FEAEHN CCC[C@@](C)(O)C(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000127561696 544000659 /nfs/dbraw/zinc/00/06/59/544000659.db2.gz DPBVJXSQQSDRER-TZIWHRDSSA-N 0 3 362.514 2.442 10 0 FEAEHN CC(C)n1ncc2cc(CN3CCO[C@@H](CN(C)C)C3)c(Cl)nc21 ZINC000128245906 544041652 /nfs/dbraw/zinc/04/16/52/544041652.db2.gz JOEJQDHIEYGRGY-HNNXBMFYSA-N 0 3 351.882 2.428 10 0 FEAEHN CN(C)C[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccccc1 ZINC000128581488 544060946 /nfs/dbraw/zinc/06/09/46/544060946.db2.gz VXCNHHKSXGRZOL-LJQANCHMSA-N 0 3 359.514 2.441 10 0 FEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(OC(F)F)c1 ZINC000129300034 544104581 /nfs/dbraw/zinc/10/45/81/544104581.db2.gz CIXLDUIRRALWKN-CQSZACIVSA-N 0 3 369.412 2.463 10 0 FEAEHN CCCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000131417231 544189398 /nfs/dbraw/zinc/18/93/98/544189398.db2.gz USUAXUWIKAFRJS-XJKSGUPXSA-N 0 3 365.449 2.398 10 0 FEAEHN C[C@@H]1CC[C@@H](C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)O1 ZINC000132865102 544246222 /nfs/dbraw/zinc/24/62/22/544246222.db2.gz FAULDJBVGSHITN-QUCCMNQESA-N 0 3 359.514 2.268 10 0 FEAEHN COc1ccc(OC)c(CN(C[C@H](O)CN2CCCC2=O)C(C)(C)C)c1 ZINC000134861244 544323822 /nfs/dbraw/zinc/32/38/22/544323822.db2.gz ZFMABMWJOAHGLP-MRXNPFEDSA-N 0 3 364.486 2.288 10 0 FEAEHN Cc1c([C@H](C)NC[C@H](O)CN2CCCCC2)nnn1-c1ccc(F)cc1 ZINC000151303426 544526328 /nfs/dbraw/zinc/52/63/28/544526328.db2.gz JMLKSYKIVNWIOT-KSSFIOAISA-N 0 3 361.465 2.212 10 0 FEAEHN CC[C@H]1CN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CCN1CCOC ZINC000152494363 544661039 /nfs/dbraw/zinc/66/10/39/544661039.db2.gz BBYLYXGJASKGMC-INIZCTEOSA-N 0 3 372.469 2.268 10 0 FEAEHN CN(C(=O)NC[C@@]1(C)CCCS1)C1CCN(CCn2cccn2)CC1 ZINC000153216944 544747615 /nfs/dbraw/zinc/74/76/15/544747615.db2.gz LTWSCAURQMWURW-GOSISDBHSA-N 0 3 365.547 2.275 10 0 FEAEHN C[C@H](CNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)N1CCOCC1 ZINC000153714465 544812402 /nfs/dbraw/zinc/81/24/02/544812402.db2.gz QADZBYGZPGLVSG-WIYYLYMNSA-N 0 3 374.529 2.061 10 0 FEAEHN CC(=O)N[C@H]1CCCN(Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000153890926 544836683 /nfs/dbraw/zinc/83/66/83/544836683.db2.gz QCIMJKMPJMAROQ-IBGZPJMESA-N 0 3 358.530 2.318 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccccc1OCC(F)F ZINC000154014330 544853402 /nfs/dbraw/zinc/85/34/02/544853402.db2.gz HPTYHPNEKQAMQV-ZDUSSCGKSA-N 0 3 371.428 2.362 10 0 FEAEHN COCCN1CCN(C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C[C@@H]1C ZINC000155089179 544987023 /nfs/dbraw/zinc/98/70/23/544987023.db2.gz XFNNYNADCLBUGP-BXWFABGCSA-N 0 3 370.921 2.431 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000179190109 327630302 /nfs/dbraw/zinc/63/03/02/327630302.db2.gz GEYDDJMXWBZECR-RBUKOAKNSA-N 0 3 374.529 2.311 10 0 FEAEHN CC(C)c1nnc2n1C[C@@H](NC(=O)N1CCN(C3CCCCC3)CC1)CC2 ZINC000181742699 327744504 /nfs/dbraw/zinc/74/45/04/327744504.db2.gz WLBBDQOXQOPNJR-INIZCTEOSA-N 0 3 374.533 2.376 10 0 FEAEHN C[C@@H](NCC(=O)Nc1cccc(CN2CCSCC2)c1)[C@@H]1CCCO1 ZINC000183144856 327803776 /nfs/dbraw/zinc/80/37/76/327803776.db2.gz DVADCZFDRQADAU-QAPCUYQASA-N 0 3 363.527 2.331 10 0 FEAEHN C[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CCCC1)[C@H]1CCCO1 ZINC000183180469 327805718 /nfs/dbraw/zinc/80/57/18/327805718.db2.gz LQDZQUFPEDKMSA-KBXCAEBGSA-N 0 3 359.470 2.455 10 0 FEAEHN CCCN(CC(=O)Nc1ccccc1C)C(=O)CN[C@@H](C)[C@H]1CCCO1 ZINC000183191176 327806238 /nfs/dbraw/zinc/80/62/38/327806238.db2.gz QDLWPQGCFIVDFZ-FUHWJXTLSA-N 0 3 361.486 2.329 10 0 FEAEHN CCO[C@@H]1C[C@H](N[C@@H]2CCCN(CC(F)(F)F)C2=O)C12CCOCC2 ZINC000186426265 327961276 /nfs/dbraw/zinc/96/12/76/327961276.db2.gz ZHPPJCMZUSETNP-HZSPNIEDSA-N 0 3 364.408 2.104 10 0 FEAEHN CSCc1cccc(CNC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000187409253 328023373 /nfs/dbraw/zinc/02/33/73/328023373.db2.gz ZQXLDFLSKOQBKL-KRWDZBQOSA-N 0 3 351.516 2.196 10 0 FEAEHN COc1cc(NC(=O)C(=O)N[C@@H](C)CN(C)Cc2ccccc2)ccc1F ZINC000187500979 328030057 /nfs/dbraw/zinc/03/00/57/328030057.db2.gz GLQLLUZCBYXCLJ-AWEZNQCLSA-N 0 3 373.428 2.410 10 0 FEAEHN Cc1cccc2nc(C3CCN(C[C@@H](O)CN4CCCC4=O)CC3)oc21 ZINC000189814455 328169602 /nfs/dbraw/zinc/16/96/02/328169602.db2.gz NNJIJSAXDLUBLY-MRXNPFEDSA-N 0 3 357.454 2.299 10 0 FEAEHN Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H](CC(C)C)CN(C)C)C2=O)cc1 ZINC000191119386 328250814 /nfs/dbraw/zinc/25/08/14/328250814.db2.gz FKNFCVIFTREREX-OALUTQOASA-N 0 3 374.529 2.371 10 0 FEAEHN C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CCCNC(=O)[C@H]2C)CC1 ZINC000191401533 328263968 /nfs/dbraw/zinc/26/39/68/328263968.db2.gz GZYPSGZHCPQVTB-JKSUJKDBSA-N 0 3 358.486 2.132 10 0 FEAEHN CC(C)(NC[C@H](O)CN1CCCC1=O)c1ccc(OC(F)(F)F)cc1 ZINC000191696027 328277359 /nfs/dbraw/zinc/27/73/59/328277359.db2.gz GGHDJNLRBGXEPX-ZDUSSCGKSA-N 0 3 360.376 2.393 10 0 FEAEHN CC(C)N1CCN(CCCN2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000192734751 328336044 /nfs/dbraw/zinc/33/60/44/328336044.db2.gz GQRNOAWLOLDZPY-UHFFFAOYSA-N 0 3 371.529 2.366 10 0 FEAEHN CN(Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000192936519 328347807 /nfs/dbraw/zinc/34/78/07/328347807.db2.gz PBNDDKSDVVPOAQ-MRXNPFEDSA-N 0 3 363.458 2.363 10 0 FEAEHN O=S(=O)(N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1)c1cccs1 ZINC000193441902 328375780 /nfs/dbraw/zinc/37/57/80/328375780.db2.gz RWFYTQPPUKEARJ-SMDDNHRTSA-N 0 3 358.435 2.450 10 0 FEAEHN COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCC[NH2+][C@H]1C ZINC000193460564 328376789 /nfs/dbraw/zinc/37/67/89/328376789.db2.gz DPAOMVGEVJHXMX-CMPLNLGQSA-N 0 3 368.480 2.107 10 0 FEAEHN C[C@@H](CC(=O)Nc1ccc(OC2CCN(C)CC2)nc1)N1CCCCC1=O ZINC000193678182 328389236 /nfs/dbraw/zinc/38/92/36/328389236.db2.gz ONBPAPBKMSMOOR-HNNXBMFYSA-N 0 3 374.485 2.284 10 0 FEAEHN CN(C)C[C@@H](NC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC000045185464 324571145 /nfs/dbraw/zinc/57/11/45/324571145.db2.gz GYIJHOXBWGXLHW-GOEBONIOSA-N 0 3 372.435 2.473 10 0 FEAEHN CCCOCc1ccccc1CNC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000046337176 324604771 /nfs/dbraw/zinc/60/47/71/324604771.db2.gz MSMQTWAWRWCNIS-LJQANCHMSA-N 0 3 363.502 2.259 10 0 FEAEHN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000077938862 325026325 /nfs/dbraw/zinc/02/63/25/325026325.db2.gz PYKDIURFYVNVBL-HKUYNNGSSA-N 0 3 373.497 2.278 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCCNC(=O)c1ccccc1Cl ZINC000079131776 325077372 /nfs/dbraw/zinc/07/73/72/325077372.db2.gz HGLUDLGKMHGZRQ-CQSZACIVSA-N 0 3 368.909 2.345 10 0 FEAEHN Cc1cccc(CN(CCN(C)C)C(=O)[C@@H](C)NC(=O)c2ccco2)c1 ZINC000103114179 325507129 /nfs/dbraw/zinc/50/71/29/325507129.db2.gz OWBADPRGFYUSTN-MRXNPFEDSA-N 0 3 357.454 2.297 10 0 FEAEHN O=C1CCCN1C1CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000104730779 325544225 /nfs/dbraw/zinc/54/42/25/325544225.db2.gz WCGKIQKMLNLQAN-SFHVURJKSA-N 0 3 366.889 2.304 10 0 FEAEHN CC(C)CCc1noc(CN(C)C2CCN(CCn3cccn3)CC2)n1 ZINC000106128387 325584545 /nfs/dbraw/zinc/58/45/45/325584545.db2.gz SWSLVJFLCMFLSN-UHFFFAOYSA-N 0 3 360.506 2.451 10 0 FEAEHN CN(C)C[C@@H](NC(=O)Nc1cccnc1-n1cncn1)c1ccccc1 ZINC000108924010 325653392 /nfs/dbraw/zinc/65/33/92/325653392.db2.gz TVVUVXGBENYSQP-MRXNPFEDSA-N 0 3 351.414 2.087 10 0 FEAEHN COc1ccc(CN[C@@H]2CCCN(c3cccnn3)C2)c(OC)c1OC ZINC000109071271 325658446 /nfs/dbraw/zinc/65/84/46/325658446.db2.gz YTTGPHWBRUXCKO-OAHLLOKOSA-N 0 3 358.442 2.261 10 0 FEAEHN CN(C(=O)N[C@@H]1COc2ccccc21)C1CCN(CCn2cccn2)CC1 ZINC000109397032 325667229 /nfs/dbraw/zinc/66/72/29/325667229.db2.gz YOQOKJKQDPEFJW-GOSISDBHSA-N 0 3 369.469 2.123 10 0 FEAEHN COc1cc(C(=O)N[C@@H](CN(C)C)c2ccccc2)cc2c1OCCO2 ZINC000111139977 325702162 /nfs/dbraw/zinc/70/21/62/325702162.db2.gz HYTWEBDCBWFVRS-INIZCTEOSA-N 0 3 356.422 2.499 10 0 FEAEHN CCc1nn(C)c(Cl)c1CNC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000116339635 326008545 /nfs/dbraw/zinc/00/85/45/326008545.db2.gz NJYAKNUMTVCPLX-LBPRGKRZSA-N 0 3 363.897 2.226 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)c2ccccc2-c2nc(C(C)(C)C)no2)CCO1 ZINC000116787473 326034932 /nfs/dbraw/zinc/03/49/32/326034932.db2.gz VUDVUSWZQVLTLN-CQSZACIVSA-N 0 3 372.469 2.437 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)CCO1 ZINC000116794111 326035638 /nfs/dbraw/zinc/03/56/38/326035638.db2.gz WOKRMDMMBANJSA-ZDUSSCGKSA-N 0 3 351.497 2.203 10 0 FEAEHN CCCCOc1ccc(C(=O)N2CCO[C@@H](CN(C)C)C2)cc1OC ZINC000116794573 326036392 /nfs/dbraw/zinc/03/63/92/326036392.db2.gz DEXQIHZMBPBWLT-INIZCTEOSA-N 0 3 350.459 2.277 10 0 FEAEHN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000116796223 326036845 /nfs/dbraw/zinc/03/68/45/326036845.db2.gz PLFCPPKSPUAYIE-OAHLLOKOSA-N 0 3 362.861 2.237 10 0 FEAEHN CN(C)C[C@H]1CN(C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)CCO1 ZINC000118816602 326104209 /nfs/dbraw/zinc/10/42/09/326104209.db2.gz UERVKTRBJAMEOE-AWEZNQCLSA-N 0 3 363.849 2.320 10 0 FEAEHN CC[C@@H]1CN(Cc2cn(-c3ccc(Cl)cc3)nn2)CCN1C[C@@H](C)O ZINC000118979331 326115053 /nfs/dbraw/zinc/11/50/53/326115053.db2.gz KXGIDHQWUBCADH-RHSMWYFYSA-N 0 3 363.893 2.198 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000119960803 326216018 /nfs/dbraw/zinc/21/60/18/326216018.db2.gz NDJZHOUOYQYVRA-ZDUSSCGKSA-N 0 3 360.380 2.263 10 0 FEAEHN Cc1cc(C)n2c(CN(C)[C@@H]3CCCN(c4cccnn4)C3)cnc2n1 ZINC000120214220 326240867 /nfs/dbraw/zinc/24/08/67/326240867.db2.gz FKSGCKGMHCXLNB-MRXNPFEDSA-N 0 3 351.458 2.237 10 0 FEAEHN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCO[C@@H](CN(C)C)C1 ZINC000246094687 328589511 /nfs/dbraw/zinc/58/95/11/328589511.db2.gz VQILUJDQZFOQKN-YOEHRIQHSA-N 0 3 353.894 2.122 10 0 FEAEHN C[C@H](NC(=O)NC[C@@](C)(O)CN(C)C)c1cccc(Br)c1 ZINC000121510015 326344436 /nfs/dbraw/zinc/34/44/36/326344436.db2.gz UDZDXDPOWHSTMU-XHDPSFHLSA-N 0 3 358.280 2.122 10 0 FEAEHN CC(=O)Nc1cc(C(=O)N2CCO[C@@H](CN(C)C)C2)cc(C(F)(F)F)c1 ZINC000124965810 326463130 /nfs/dbraw/zinc/46/31/30/326463130.db2.gz TWQDBJRMMWVNJS-HNNXBMFYSA-N 0 3 373.375 2.066 10 0 FEAEHN C[C@@H](NC(=O)c1ccccc1OCCN(C)C)c1nnc2n1CCCC2 ZINC000134027802 326618597 /nfs/dbraw/zinc/61/85/97/326618597.db2.gz VQPOGMNSSBFJEY-CQSZACIVSA-N 0 3 357.458 2.046 10 0 FEAEHN CN(C(=O)/C=C/c1cccc(O)c1)C1CCN(CCn2cccn2)CC1 ZINC000153178544 326726084 /nfs/dbraw/zinc/72/60/84/326726084.db2.gz HFIBHYMMSFBNDG-VOTSOKGWSA-N 0 3 354.454 2.225 10 0 FEAEHN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000153840190 326744397 /nfs/dbraw/zinc/74/43/97/326744397.db2.gz DDPSLRCFCFDWKS-HOTGVXAUSA-N 0 3 356.474 2.278 10 0 FEAEHN C[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000154806337 326769583 /nfs/dbraw/zinc/76/95/83/326769583.db2.gz IMXNXOJAFRQFRZ-KRWDZBQOSA-N 0 3 373.497 2.047 10 0 FEAEHN O[C@@H](COCc1ccccc1F)CN1CCC(Nc2cccnn2)CC1 ZINC000155049650 326776132 /nfs/dbraw/zinc/77/61/32/326776132.db2.gz WXEYHUJCIWQILT-QGZVFWFLSA-N 0 3 360.433 2.070 10 0 FEAEHN CCC[C@@H](C(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1)N(C)C ZINC000161929707 327012915 /nfs/dbraw/zinc/01/29/15/327012915.db2.gz ROPUZOVMTMHELP-CVEARBPZSA-N 0 3 350.438 2.278 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)CSc2cccc(Br)c2)CCO1 ZINC000163046068 327041355 /nfs/dbraw/zinc/04/13/55/327041355.db2.gz XKLVPDYZBKYNAR-CYBMUJFWSA-N 0 3 373.316 2.330 10 0 FEAEHN CC[C@H]1CN(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)CCN1C[C@@H](C)O ZINC000163385951 327050196 /nfs/dbraw/zinc/05/01/96/327050196.db2.gz OGAJXSNDYZDPBA-ZBFHGGJFSA-N 0 3 372.469 2.003 10 0 FEAEHN Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CC[C@@H](N(C)C)C3)cn2)cc1 ZINC000170844201 327102133 /nfs/dbraw/zinc/10/21/33/327102133.db2.gz IAZWLVRTWCJJBR-MRXNPFEDSA-N 0 3 368.437 2.283 10 0 FEAEHN CCCCCn1nc(C(=O)N2CC[C@@H](N(C)C)C2)c2ccccc2c1=O ZINC000170861436 327103300 /nfs/dbraw/zinc/10/33/00/327103300.db2.gz RKKUVXVQAIHMBF-OAHLLOKOSA-N 0 3 356.470 2.363 10 0 FEAEHN CCn1c(SCC(=O)N2CC[C@@H](N(C)C)C2)nnc1-c1cccs1 ZINC000170861143 327103390 /nfs/dbraw/zinc/10/33/90/327103390.db2.gz ZLXKKNDNEJMSGA-GFCCVEGCSA-N 0 3 365.528 2.281 10 0 FEAEHN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC[C@H](N(C)C)C1 ZINC000170868148 327104007 /nfs/dbraw/zinc/10/40/07/327104007.db2.gz ZBTUDRMRASSOQJ-ZYSHUDEJSA-N 0 3 357.498 2.149 10 0 FEAEHN Cc1ccc(I)c(C(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000170868197 327104031 /nfs/dbraw/zinc/10/40/31/327104031.db2.gz SFAYQJSFMQPDDZ-LLVKDONJSA-N 0 3 358.223 2.376 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)Nc2ccc(I)cc2)C1 ZINC000171068885 327115640 /nfs/dbraw/zinc/11/56/40/327115640.db2.gz VYYCYHPQBJUUNC-LBPRGKRZSA-N 0 3 359.211 2.459 10 0 FEAEHN Cc1nc(C[C@@H]2CCCN(C(=O)c3ccccc3OCCN(C)C)C2)no1 ZINC000171334837 327132835 /nfs/dbraw/zinc/13/28/35/327132835.db2.gz RHBAPDTXLVLHCE-INIZCTEOSA-N 0 3 372.469 2.413 10 0 FEAEHN O=C(NCc1cc(Cl)c2c(c1)OCCO2)N1CCN2CCC[C@H]2C1 ZINC000171902183 327168828 /nfs/dbraw/zinc/16/88/28/327168828.db2.gz FJNLXACQPAYURQ-ZDUSSCGKSA-N 0 3 351.834 2.101 10 0 FEAEHN O=C(NCCOc1ccc(Br)cc1)N1CCN2CCC[C@@H]2C1 ZINC000171905122 327169268 /nfs/dbraw/zinc/16/92/68/327169268.db2.gz AYIRKQYWYFFISN-CQSZACIVSA-N 0 3 368.275 2.318 10 0 FEAEHN CC[C@H]1CN(Cc2ccc3oc(C(=O)OC)cc3c2)CCN1C[C@@H](C)O ZINC000172791184 327219097 /nfs/dbraw/zinc/21/90/97/327219097.db2.gz VYACAQFWEARAHO-PBHICJAKSA-N 0 3 360.454 2.496 10 0 FEAEHN C[C@@H](CNC(=O)NC[C@@H](O)CN1CCCCC1)Oc1ccc(Cl)cc1 ZINC000173447411 327257818 /nfs/dbraw/zinc/25/78/18/327257818.db2.gz DGBBDBORFCOLLL-GOEBONIOSA-N 0 3 369.893 2.253 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000174290639 327317694 /nfs/dbraw/zinc/31/76/94/327317694.db2.gz SRJSBTYIQGQONQ-HXUWFJFHSA-N 0 3 360.546 2.140 10 0 FEAEHN COc1csc(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)c1 ZINC000176838942 327479088 /nfs/dbraw/zinc/47/90/88/327479088.db2.gz ZTROMJVBAYBSCM-UHFFFAOYSA-N 0 3 360.483 2.176 10 0 FEAEHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)N[C@@H]1CCCn2ncnc21 ZINC000177350455 327515863 /nfs/dbraw/zinc/51/58/63/327515863.db2.gz AIQGTOIEXWATAS-SJORKVTESA-N 0 3 354.458 2.249 10 0 FEAEHN CNc1cc(N2CCC[C@@H]2CNCc2ccccc2OCCOC)ncn1 ZINC000177577450 327531481 /nfs/dbraw/zinc/53/14/81/327531481.db2.gz QFMWBBOSBYAOSP-QGZVFWFLSA-N 0 3 371.485 2.302 10 0 FEAEHN O=C(Cc1coc2cc3c(cc12)CCC3)NC[C@@H](O)CN1CCCCC1 ZINC000178518228 327589771 /nfs/dbraw/zinc/58/97/71/327589771.db2.gz USMOQSJIAIDERX-GOSISDBHSA-N 0 3 356.466 2.427 10 0 FEAEHN NC1(C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)CCOCC1 ZINC000261772729 328818515 /nfs/dbraw/zinc/81/85/15/328818515.db2.gz GVCINOTUHDDRJL-CQSZACIVSA-N 0 3 374.416 2.090 10 0 FEAEHN O=C(CN1CCNC[C@@H]1c1cccnc1)Nc1nc2c(s1)CCCC2 ZINC000261868392 328825658 /nfs/dbraw/zinc/82/56/58/328825658.db2.gz XERQPZMGZMQIEQ-OAHLLOKOSA-N 0 3 357.483 2.002 10 0 FEAEHN C[C@@H](c1ccccc1Cl)N1CCN(C(=O)[C@H](N)C2CCOCC2)CC1 ZINC000262048167 328838090 /nfs/dbraw/zinc/83/80/90/328838090.db2.gz QTJQQROTZYRGAV-KBXCAEBGSA-N 0 3 365.905 2.299 10 0 FEAEHN Cc1cc(Cl)ccc1Cc1cnc(NC(=O)[C@@H]2C[C@@H](O)CN2)s1 ZINC000262302531 328857726 /nfs/dbraw/zinc/85/77/26/328857726.db2.gz LESAYVJOTMWOLZ-OCCSQVGLSA-N 0 3 351.859 2.357 10 0 FEAEHN CSCC[C@@H](NC(=O)c1[nH]nc2c1CNCC2)c1nc2ccccc2[nH]1 ZINC000262759070 328887230 /nfs/dbraw/zinc/88/72/30/328887230.db2.gz FLZWJVSSCMKYAX-OAHLLOKOSA-N 0 3 370.482 2.156 10 0 FEAEHN CCc1nc(-c2nc([C@@H]3CNCCN3C)no2)nn1-c1ccccc1Cl ZINC000263155863 328920700 /nfs/dbraw/zinc/92/07/00/328920700.db2.gz DMVSHPAOOOBYRU-ZDUSSCGKSA-N 0 3 373.848 2.109 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(CCc2ccccc2OC(F)(F)F)n1 ZINC000263214328 328925790 /nfs/dbraw/zinc/92/57/90/328925790.db2.gz KPKMMBFNFXHUJU-GFCCVEGCSA-N 0 3 356.348 2.330 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(COc2ccc(Cl)c3cccnc23)n1 ZINC000263224133 328926418 /nfs/dbraw/zinc/92/64/18/328926418.db2.gz MNJBUGFYTNQCDX-CYBMUJFWSA-N 0 3 359.817 2.426 10 0 FEAEHN CN(C)CCN1C[C@H](C(=O)NCC2(c3ccccc3)CCCC2)CCC1=O ZINC000020323258 521775569 /nfs/dbraw/zinc/77/55/69/521775569.db2.gz PLPPSLNBXRCMCY-GOSISDBHSA-N 0 3 371.525 2.415 10 0 FEAEHN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@H](CN(C)C)c1ccccc1)CC2 ZINC000155637425 545552101 /nfs/dbraw/zinc/55/21/01/545552101.db2.gz HNGUMDKPBHIPMH-DLBZAZTESA-N 0 3 370.501 2.318 10 0 FEAEHN CCn1cnnc1[C@H]1CCCN(C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000158922055 545905287 /nfs/dbraw/zinc/90/52/87/545905287.db2.gz IMBQFYFJTUUDCG-HOTGVXAUSA-N 0 3 369.469 2.399 10 0 FEAEHN O=C(Cc1cccc(Cl)c1)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000159268803 545937635 /nfs/dbraw/zinc/93/76/35/545937635.db2.gz JHVCQDZKLZCOEW-IBGZPJMESA-N 0 3 358.869 2.418 10 0 FEAEHN COCCN(C)CCNC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000171195575 546195152 /nfs/dbraw/zinc/19/51/52/546195152.db2.gz AFEAWOCJFYTEDG-GFCCVEGCSA-N 0 3 358.280 2.388 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000176286771 546427611 /nfs/dbraw/zinc/42/76/11/546427611.db2.gz SUDPCFUYJWSGLS-MRXNPFEDSA-N 0 3 374.485 2.107 10 0 FEAEHN CCc1ccc([C@@H](CNC(=O)N[C@H]2CCCn3ncnc32)N(C)C)cc1 ZINC000176351431 546435369 /nfs/dbraw/zinc/43/53/69/546435369.db2.gz RNALDZCEILBQSM-DLBZAZTESA-N 0 3 356.474 2.278 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)CCc2ccc(Br)cc2)CCO1 ZINC000176410024 546441856 /nfs/dbraw/zinc/44/18/56/546441856.db2.gz RMAAUZREYMKCAR-OAHLLOKOSA-N 0 3 355.276 2.171 10 0 FEAEHN Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000176603425 546466884 /nfs/dbraw/zinc/46/68/84/546466884.db2.gz QOYWBANORJWTTO-QGZVFWFLSA-N 0 3 356.474 2.195 10 0 FEAEHN CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176609648 546467811 /nfs/dbraw/zinc/46/78/11/546467811.db2.gz WMRVZDSULMKLRM-GOSISDBHSA-N 0 3 370.501 2.319 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H](NC(=O)c1cccs1)C(C)C ZINC000177008229 546523087 /nfs/dbraw/zinc/52/30/87/546523087.db2.gz VIIUCHGIDLLXOE-GDBMZVCRSA-N 0 3 351.516 2.445 10 0 FEAEHN Cc1cc(CC(=O)N(C)CC2CCN(C[C@H](O)c3ccccc3)CC2)no1 ZINC000177461849 546623755 /nfs/dbraw/zinc/62/37/55/546623755.db2.gz LBSSXFRQWAVHOJ-FQEVSTJZSA-N 0 3 371.481 2.430 10 0 FEAEHN CSc1ccc(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)cc1Cl ZINC000177696967 546668973 /nfs/dbraw/zinc/66/89/73/546668973.db2.gz CLGLTQTWHAGSPM-GFCCVEGCSA-N 0 3 353.875 2.307 10 0 FEAEHN CCN1CCC[C@H]1CN(C)CC(=O)NCCc1nc2ccccc2s1 ZINC000177701832 546669819 /nfs/dbraw/zinc/66/98/19/546669819.db2.gz WYKSWGBGUNSTTJ-HNNXBMFYSA-N 0 3 360.527 2.371 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000177706136 546671684 /nfs/dbraw/zinc/67/16/84/546671684.db2.gz FDBGBTMNGMDQQB-FXAWDEMLSA-N 0 3 374.529 2.266 10 0 FEAEHN COc1ccc(Br)c(CC(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000178107667 546740231 /nfs/dbraw/zinc/74/02/31/546740231.db2.gz UEECXVQGZLWGPY-CYBMUJFWSA-N 0 3 353.260 2.307 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Cc2ccccc2I)C1 ZINC000178326207 546775902 /nfs/dbraw/zinc/77/59/02/546775902.db2.gz HIJAPXBZWCZPBV-CYBMUJFWSA-N 0 3 372.250 2.434 10 0 FEAEHN CC(C)COC[C@@H](O)CN(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000178611626 546820203 /nfs/dbraw/zinc/82/02/03/546820203.db2.gz PDJDZNLISPWXLF-IRXDYDNUSA-N 0 3 356.532 2.087 10 0 FEAEHN CN(Cc1ccccc1Br)C(=O)CN1CCN2CCC[C@@H]2C1 ZINC000178631090 546822865 /nfs/dbraw/zinc/82/28/65/546822865.db2.gz LLDQXRQYKDUVMX-OAHLLOKOSA-N 0 3 366.303 2.188 10 0 FEAEHN COC(=O)c1cccc(NC(=O)CN2CCC[C@H]2Cn2ccnc2C)c1 ZINC000178754678 546844217 /nfs/dbraw/zinc/84/42/17/546844217.db2.gz QZGRHPWDBYBNMZ-KRWDZBQOSA-N 0 3 356.426 2.081 10 0 FEAEHN Cc1nn(C)c(OCC(F)(F)F)c1CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000179808824 547014776 /nfs/dbraw/zinc/01/47/76/547014776.db2.gz FSHHNGSHXRQGKH-GFCCVEGCSA-N 0 3 357.380 2.393 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2c(F)cc(Cl)cc2F)[C@@H](C)C1 ZINC000180152350 547058465 /nfs/dbraw/zinc/05/84/65/547058465.db2.gz PQHWNFDDCQCVMZ-ZANVPECISA-N 0 3 359.804 2.402 10 0 FEAEHN CNC(=O)c1cccc(CNC(=O)N[C@@H](C)CN(C)Cc2ccccc2)c1 ZINC000181284264 547285921 /nfs/dbraw/zinc/28/59/21/547285921.db2.gz MGSKRPLCLAUIQE-INIZCTEOSA-N 0 3 368.481 2.366 10 0 FEAEHN CCCNC(=O)C1CCN(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)CC1 ZINC000181295162 547287668 /nfs/dbraw/zinc/28/76/68/547287668.db2.gz KJNTUSWZBJVLLA-KRWDZBQOSA-N 0 3 374.529 2.455 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCCc1cccc(C(N)=O)c1 ZINC000181340269 547295840 /nfs/dbraw/zinc/29/58/40/547295840.db2.gz WVKFVQVBLOGBRZ-INIZCTEOSA-N 0 3 368.481 2.148 10 0 FEAEHN CC(C)c1nnc2n1C[C@H](NC(=O)NCc1cccc(CN(C)C)c1)CC2 ZINC000181479882 547322391 /nfs/dbraw/zinc/32/23/91/547322391.db2.gz JODOHOHNSQXPKH-QGZVFWFLSA-N 0 3 370.501 2.277 10 0 FEAEHN O=C(Nc1ccc(Cl)c(OC(F)F)c1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000181897147 547399905 /nfs/dbraw/zinc/39/99/05/547399905.db2.gz JWZRADVQCGMIGX-LLVKDONJSA-N 0 3 373.787 2.187 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(N2CCNC2=O)cc1 ZINC000182076247 547433122 /nfs/dbraw/zinc/43/31/22/547433122.db2.gz KGIJVVPMPNATRH-INIZCTEOSA-N 0 3 366.465 2.467 10 0 FEAEHN CCN1CCN(CCCCNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)CC1 ZINC000182348357 547477332 /nfs/dbraw/zinc/47/73/32/547477332.db2.gz YLACZKCMRGEHFZ-GOSISDBHSA-N 0 3 362.522 2.064 10 0 FEAEHN Cc1ccccc1CN1CCCN(C(=O)CN[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000183090160 547599908 /nfs/dbraw/zinc/59/99/08/547599908.db2.gz WAVGIFGLJCSKGV-ICSRJNTNSA-N 0 3 359.514 2.186 10 0 FEAEHN Cc1cncc(CNC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190731831 548333695 /nfs/dbraw/zinc/33/36/95/548333695.db2.gz NCBREVVVUVNFST-SFHVURJKSA-N 0 3 353.470 2.449 10 0 FEAEHN CCCCCNC(=O)C1CCN(C(=O)N[C@H]2CCCN(CC)C2)CC1 ZINC000194175831 548445716 /nfs/dbraw/zinc/44/57/16/548445716.db2.gz KGYRDOPHWIRPHA-KRWDZBQOSA-N 0 3 352.523 2.199 10 0 FEAEHN CCN1CCCC[C@H]1CNC(=O)N1CCO[C@H](c2nc(C)cs2)C1 ZINC000194239427 548453258 /nfs/dbraw/zinc/45/32/58/548453258.db2.gz CWHIFEUUIUHTIF-GJZGRUSLSA-N 0 3 352.504 2.409 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)C1 ZINC000194334334 548467731 /nfs/dbraw/zinc/46/77/31/548467731.db2.gz WZMMFMQJLYFACI-QGZVFWFLSA-N 0 3 374.485 2.294 10 0 FEAEHN CCN(CC)[C@@H](CNC(=O)[C@@H]1CNC(=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000194880527 548544513 /nfs/dbraw/zinc/54/45/13/548544513.db2.gz BRUWSQQHNJXNST-ZFWWWQNUSA-N 0 3 371.403 2.341 10 0 FEAEHN COc1ccccc1-n1ncc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1C ZINC000195261934 548606201 /nfs/dbraw/zinc/60/62/01/548606201.db2.gz NKWRMLHWXFBOIS-HOCLYGCPSA-N 0 3 354.454 2.498 10 0 FEAEHN COc1cccc(NC(=O)CN2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000195272413 548607856 /nfs/dbraw/zinc/60/78/56/548607856.db2.gz VIZXOVAHVSGEJD-SFHVURJKSA-N 0 3 368.481 2.483 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(Cc2nnc(C3CCC3)n2C)C1 ZINC000195287179 548613809 /nfs/dbraw/zinc/61/38/09/548613809.db2.gz BUTKBHLWJDZUEU-KRWDZBQOSA-N 0 3 354.502 2.432 10 0 FEAEHN Cc1cccc(OCCNC(=O)[C@H](C)N2CCC(c3ccn[nH]3)CC2)c1 ZINC000195505035 548651844 /nfs/dbraw/zinc/65/18/44/548651844.db2.gz UUNRRDTXCQHMPO-INIZCTEOSA-N 0 3 356.470 2.481 10 0 FEAEHN CN1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1)CC2 ZINC000245454093 548925036 /nfs/dbraw/zinc/92/50/36/548925036.db2.gz RRZIWICNQIHOPF-DOADOZAASA-N 0 3 355.482 2.291 10 0 FEAEHN CCN1CCC[C@H]1CN(C)[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000245465810 548928326 /nfs/dbraw/zinc/92/83/26/548928326.db2.gz IUAZDCRJKWIUMZ-WBVHZDCISA-N 0 3 363.502 2.125 10 0 FEAEHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1C[C@H]1C(=O)OC ZINC000245607036 548956371 /nfs/dbraw/zinc/95/63/71/548956371.db2.gz KFVCQXLEKWFXHY-KBAYOESNSA-N 0 3 360.454 2.014 10 0 FEAEHN COc1ccc(C[C@@H](C)CNC(=O)N2CCN3CCC[C@H]3C2)cc1OC ZINC000245714322 548981348 /nfs/dbraw/zinc/98/13/48/548981348.db2.gz PSRPCYHBVCWXLQ-WBVHZDCISA-N 0 3 361.486 2.372 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cc(F)ccc2OC(F)F)C1 ZINC000245784173 548993130 /nfs/dbraw/zinc/99/31/30/548993130.db2.gz SMZKYSBZHWUVSF-ZWNOBZJWSA-N 0 3 373.375 2.211 10 0 FEAEHN O=C(NC[C@H]1CCCCN1Cc1ccccc1)N[C@H]1CCCn2ncnc21 ZINC000246123397 549057925 /nfs/dbraw/zinc/05/79/25/549057925.db2.gz LOYXEOHULZRCPF-MSOLQXFVSA-N 0 3 368.485 2.467 10 0 FEAEHN O=C(CCN1CCO[C@H]2CCCC[C@H]21)Nc1ccc(N2CCOCC2)cc1 ZINC000246174561 549069863 /nfs/dbraw/zinc/06/98/63/549069863.db2.gz SYOMHMYARWTTGS-UXHICEINSA-N 0 3 373.497 2.495 10 0 FEAEHN CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000246312236 549101886 /nfs/dbraw/zinc/10/18/86/549101886.db2.gz DWCRLCVRNAQDHC-XJKSGUPXSA-N 0 3 365.449 2.396 10 0 FEAEHN CN1CCC[C@@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000246336071 549108737 /nfs/dbraw/zinc/10/87/37/549108737.db2.gz OQBKWHYOXUJAIK-WTXIUTQJSA-N 0 3 366.506 2.310 10 0 FEAEHN COc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000246339904 549109724 /nfs/dbraw/zinc/10/97/24/549109724.db2.gz GWWRBGWTMCHBDT-IAQYHMDHSA-N 0 3 353.850 2.132 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000246382809 549120521 /nfs/dbraw/zinc/12/05/21/549120521.db2.gz JZAZMYCOGWYJLO-CRAIPNDOSA-N 0 3 374.485 2.009 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1OC(F)F ZINC000246406362 549127354 /nfs/dbraw/zinc/12/73/54/549127354.db2.gz LQMAOFZQHAOLRU-TZMCWYRMSA-N 0 3 369.412 2.380 10 0 FEAEHN COc1cccc(COC[C@@H](O)CN2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000246692514 549189922 /nfs/dbraw/zinc/18/99/22/549189922.db2.gz MYXHYWAXVSGVDH-FXAWDEMLSA-N 0 3 358.438 2.121 10 0 FEAEHN CC[C@H]1CN(CCC(=O)Nc2ccc(Cl)cc2)CCN1C[C@H](C)O ZINC000246926764 549244975 /nfs/dbraw/zinc/24/49/75/549244975.db2.gz APQZQGFRRNQLQE-YOEHRIQHSA-N 0 3 353.894 2.446 10 0 FEAEHN O=C(C[C@@H]1CCCN1C[C@@H](O)COC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000246939900 549246628 /nfs/dbraw/zinc/24/66/28/549246628.db2.gz UBOLFLGJQLWIGI-OTWHNJEPSA-N 0 3 365.445 2.419 10 0 FEAEHN CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000246965260 549253133 /nfs/dbraw/zinc/25/31/33/549253133.db2.gz BTXDMHTVZAPSCG-CRAIPNDOSA-N 0 3 357.458 2.416 10 0 FEAEHN C[C@H](O)CN1CCN(CCc2nc(-c3cccc(Cl)c3)no2)C[C@H]1C ZINC000246963889 549253312 /nfs/dbraw/zinc/25/33/12/549253312.db2.gz KTOPHMHFXDZMID-KGLIPLIRSA-N 0 3 364.877 2.319 10 0 FEAEHN COc1ccccc1C(=O)N[C@H](C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)C(C)C ZINC000247083875 549280634 /nfs/dbraw/zinc/28/06/34/549280634.db2.gz XVLRETRMQUVYSC-CLCXKQKWSA-N 0 3 373.497 2.191 10 0 FEAEHN CN(C)C[C@@H]1CN([C@H]2CCCN(c3ccccc3Cl)C2=O)CCO1 ZINC000247098177 549282906 /nfs/dbraw/zinc/28/29/06/549282906.db2.gz XVNCJMIPXIOXOW-PBHICJAKSA-N 0 3 351.878 2.098 10 0 FEAEHN C(N1CCO[C@@H]2CCCC[C@H]21)C1(CN2CCO[C@H]3CCCC[C@H]32)COC1 ZINC000247132726 549288901 /nfs/dbraw/zinc/28/89/01/549288901.db2.gz ZJGGUTZTWWVYJQ-WTGUMLROSA-N 0 3 364.530 2.290 10 0 FEAEHN CC[C@@H]1CN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CCN1C[C@H](C)O ZINC000247145331 549290725 /nfs/dbraw/zinc/29/07/25/549290725.db2.gz WNAKSUAAJJYFRD-GOEBONIOSA-N 0 3 372.469 2.003 10 0 FEAEHN COc1ccc(C)cc1-n1ccc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)n1 ZINC000247325135 549318763 /nfs/dbraw/zinc/31/87/63/549318763.db2.gz OXNJDSSGQFWGEE-HZPDHXFCSA-N 0 3 354.454 2.498 10 0 FEAEHN CSCC[C@H](NC(=O)N1CCN2CCC[C@H]2C1)c1nnc2ccccn21 ZINC000247598757 549365083 /nfs/dbraw/zinc/36/50/83/549365083.db2.gz TWBKUTDJUGXKKW-GJZGRUSLSA-N 0 3 374.514 2.013 10 0 FEAEHN CCOCCN1CCN(C[C@@H](O)COCc2ccc(Cl)cc2)C[C@H]1C ZINC000247880402 549390033 /nfs/dbraw/zinc/39/00/33/549390033.db2.gz ZGNAVLCZCMQDCC-VQIMIIECSA-N 0 3 370.921 2.260 10 0 FEAEHN CS(=O)(=O)c1ccc(OCCCN2CCN3CCCC[C@H]3C2)cc1 ZINC000248367766 549422966 /nfs/dbraw/zinc/42/29/66/549422966.db2.gz ULEVFYXELHHBCF-INIZCTEOSA-N 0 3 352.500 2.029 10 0 FEAEHN COCc1c(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cnn1-c1ccccc1 ZINC000248639143 549473819 /nfs/dbraw/zinc/47/38/19/549473819.db2.gz WNXKHVAAZNEXMI-RDJZCZTQSA-N 0 3 354.454 2.327 10 0 FEAEHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000248776571 549500662 /nfs/dbraw/zinc/50/06/62/549500662.db2.gz WIUIEJOEMUWMJS-VNQPRFMTSA-N 0 3 351.441 2.211 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1COCCN1C1CCCC1 ZINC000248822609 549507204 /nfs/dbraw/zinc/50/72/04/549507204.db2.gz FOGFBEOHKSTLHJ-FXAWDEMLSA-N 0 3 359.514 2.267 10 0 FEAEHN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCO[C@@H](CN(C)C)C1 ZINC000248821029 549507236 /nfs/dbraw/zinc/50/72/36/549507236.db2.gz FPDZLYUODAJONH-SWLSCSKDSA-N 0 3 361.269 2.470 10 0 FEAEHN CCC(=O)c1cccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2CC)c1 ZINC000249116421 549554475 /nfs/dbraw/zinc/55/44/75/549554475.db2.gz BGTPDUPFVIZGIE-SJORKVTESA-N 0 3 357.454 2.303 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc2nc(C)oc2c1 ZINC000249132426 549558308 /nfs/dbraw/zinc/55/83/08/549558308.db2.gz DGCSKISPWGYUDG-GJZGRUSLSA-N 0 3 356.426 2.160 10 0 FEAEHN Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000249138174 549559710 /nfs/dbraw/zinc/55/97/10/549559710.db2.gz FECZKWGBCBDPMT-AEFFLSMTSA-N 0 3 370.497 2.229 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc2cccnc21 ZINC000249156252 549562927 /nfs/dbraw/zinc/56/29/27/549562927.db2.gz IKDIOAJNKSUEEP-CVEARBPZSA-N 0 3 352.438 2.259 10 0 FEAEHN CCc1nc2cc(NC(=O)C(=O)N3C[C@@H]4CCCN4C[C@H]3C)ccc2o1 ZINC000249188850 549567595 /nfs/dbraw/zinc/56/75/95/549567595.db2.gz OTAJFSMBQPGSCC-OCCSQVGLSA-N 0 3 356.426 2.024 10 0 FEAEHN CC[C@H](C)[C@@H](NC(=O)CN[C@H](C)c1cccc(-n2ccnc2)c1)C(=O)OC ZINC000249259376 549572742 /nfs/dbraw/zinc/57/27/42/549572742.db2.gz HTJSVQGVPJLUDP-QMTMVMCOSA-N 0 3 372.469 2.227 10 0 FEAEHN OC[C@@H]1CN(C[C@H](O)COc2ccccc2F)C[C@H]1c1ccsc1 ZINC000249584968 549608437 /nfs/dbraw/zinc/60/84/37/549608437.db2.gz SPCBMRXHFVAJNC-JYJNAYRXSA-N 0 3 351.443 2.335 10 0 FEAEHN Cc1nnc([C@@H]2CC3(CN2C(=O)c2ccccc2)CCN(CCO)CC3)o1 ZINC000257191180 549714505 /nfs/dbraw/zinc/71/45/05/549714505.db2.gz PGNRIHCRUMSRMA-KRWDZBQOSA-N 0 3 370.453 2.040 10 0 FEAEHN COc1ccc(NC(=O)C2(N)CCOCC2)cc1OCc1ccncc1 ZINC000261755861 549751611 /nfs/dbraw/zinc/75/16/11/549751611.db2.gz FNXCEJKAKXGSCU-UHFFFAOYSA-N 0 3 357.410 2.116 10 0 FEAEHN COc1cccc(Oc2ncccc2CNC(=O)C2(N)CCOCC2)c1 ZINC000261758444 549752727 /nfs/dbraw/zinc/75/27/27/549752727.db2.gz FUZNPWMVGUZXKW-UHFFFAOYSA-N 0 3 357.410 2.007 10 0 FEAEHN COc1ccc(-n2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3COCCN3)n2)cc1 ZINC000261954444 549773762 /nfs/dbraw/zinc/77/37/62/549773762.db2.gz OUFWNOWWJCAESM-AQNXPRMDSA-N 0 3 356.470 2.128 10 0 FEAEHN N[C@H](C(=O)Nc1ccc2[nH]c(-c3ccccn3)nc2c1)C1CCOCC1 ZINC000262159646 549794049 /nfs/dbraw/zinc/79/40/49/549794049.db2.gz XXNXPTLWRUAWTK-KRWDZBQOSA-N 0 3 351.410 2.317 10 0 FEAEHN N[C@H](C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1)C1CCOCC1 ZINC000262159646 549794051 /nfs/dbraw/zinc/79/40/51/549794051.db2.gz XXNXPTLWRUAWTK-KRWDZBQOSA-N 0 3 351.410 2.317 10 0 FEAEHN C[C@H]1[NH2+]CCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000262738450 549844466 /nfs/dbraw/zinc/84/44/66/549844466.db2.gz BFQHWUHMHMGRCK-PSASIEDQSA-N 0 3 351.241 2.007 10 0 FEAEHN Cc1cc(C)c(N2C[C@@H](c3nc([C@@H]4CNCCN4C)no3)CC2=O)c(C)c1 ZINC000263228053 549887203 /nfs/dbraw/zinc/88/72/03/549887203.db2.gz NAWIEGSQXAUSJI-HOTGVXAUSA-N 0 3 369.469 2.091 10 0 FEAEHN CN1CCNC[C@H]1c1noc(Cn2c3ccccc3nc2C(F)(F)F)n1 ZINC000263269716 549890964 /nfs/dbraw/zinc/89/09/64/549890964.db2.gz SBFXVXSZUMMMOH-LBPRGKRZSA-N 0 3 366.347 2.063 10 0 FEAEHN C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000374179545 557838158 /nfs/dbraw/zinc/83/81/58/557838158.db2.gz UGXHIHKQTUSQAA-JXBLTTDBSA-N 0 3 352.519 2.178 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)[C@@H]2CCCN(c3ncnc4sccc43)C2)C1 ZINC000377833432 558430748 /nfs/dbraw/zinc/43/07/48/558430748.db2.gz ZAMWWHURSFNHEM-KGLIPLIRSA-N 0 3 359.499 2.070 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000388532329 558608532 /nfs/dbraw/zinc/60/85/32/558608532.db2.gz OOZOZQUAVISRGV-KRWDZBQOSA-N 0 3 371.506 2.442 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000052594444 670315940 /nfs/dbraw/zinc/31/59/40/670315940.db2.gz OQVQGBPWXPFIAW-OAHLLOKOSA-N 0 3 354.495 2.169 10 0 FEAEHN CC[C@H]1CN(Cn2c(=O)sc3c2CC[C@@H](C)C3)CCN1CCOC ZINC000117323744 670914560 /nfs/dbraw/zinc/91/45/60/670914560.db2.gz MOUFMJDBSTUIMK-CABCVRRESA-N 0 3 353.532 2.035 10 0 FEAEHN CC[C@@H]1CN(Cn2nc3n(c2=S)CCCCC3)CCN1CCOC ZINC000117325180 670914868 /nfs/dbraw/zinc/91/48/68/670914868.db2.gz FCKAMNDEKLQWFC-OAHLLOKOSA-N 0 3 353.536 2.141 10 0 FEAEHN CC(C)Cc1ccc([C@H](C)NCCNS(=O)(=O)c2cnn(C)c2)cc1 ZINC000181406909 672426524 /nfs/dbraw/zinc/42/65/24/672426524.db2.gz HJASYRYUTZQPIZ-HNNXBMFYSA-N 0 3 364.515 2.248 10 0 FEAEHN C[C@H](NCC(=O)Nc1nc(CN2CCC(C)CC2)cs1)[C@H]1CCCO1 ZINC000183098572 672460151 /nfs/dbraw/zinc/46/01/51/672460151.db2.gz BGNABJIRIKYVDP-GOEBONIOSA-N 0 3 366.531 2.471 10 0 FEAEHN COc1ccnc(C(=O)N2CC[C@H](CN(C)Cc3scnc3C)C2)c1 ZINC000190547967 672643927 /nfs/dbraw/zinc/64/39/27/672643927.db2.gz OFWWFJNKSSPQBJ-CQSZACIVSA-N 0 3 360.483 2.449 10 0 FEAEHN CC(C)(C)OC(=O)N1C[C@@H](CNCc2ccc(F)c(F)c2F)[C@H](O)C1 ZINC000702760529 673058616 /nfs/dbraw/zinc/05/86/16/673058616.db2.gz CZCNMHBWKPMIHY-DGCLKSJQSA-N 0 3 360.376 2.421 10 0 FEAEHN CN(C)C[C@H](NC(=O)CCn1cnc2ccccc2c1=O)c1ccccc1 ZINC000027150456 539801669 /nfs/dbraw/zinc/80/16/69/539801669.db2.gz QRTLTHZZKGVLBJ-IBGZPJMESA-N 0 3 364.449 2.206 10 0 FEAEHN CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCCN3CCCC3)c2)C1 ZINC000033264211 539973118 /nfs/dbraw/zinc/97/31/18/539973118.db2.gz ZMLPERZOEONSIK-LJQANCHMSA-N 0 3 372.513 2.421 10 0 FEAEHN CN(C)C[C@@H](NC(=O)N[C@H]1CCCN(c2ncccn2)C1)c1ccccc1 ZINC000045185819 540205995 /nfs/dbraw/zinc/20/59/95/540205995.db2.gz MRIIHKFOSCTREQ-ZWKOTPCHSA-N 0 3 368.485 2.048 10 0 FEAEHN COc1ccc2cc(CNC(=O)NC[C@@H](O)CN3CCCCC3)ccc2c1 ZINC000049175358 540384266 /nfs/dbraw/zinc/38/42/66/540384266.db2.gz PQHSMPARVHHCCJ-LJQANCHMSA-N 0 3 371.481 2.494 10 0 FEAEHN O=C(CCN1CCC[C@H]2CCCC[C@@H]21)N1CCN(c2ncccn2)CC1 ZINC000051476622 540435904 /nfs/dbraw/zinc/43/59/04/540435904.db2.gz YTMUIOMLFBGFAW-MSOLQXFVSA-N 0 3 357.502 2.170 10 0 FEAEHN Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@H](CN(C)C)c1ccccc1)C2=O ZINC000052555911 540473042 /nfs/dbraw/zinc/47/30/42/540473042.db2.gz ISBLHNYWHGYTBG-GOSISDBHSA-N 0 3 365.433 2.010 10 0 FEAEHN CCN1CCN(c2ccc(C(=O)N[C@H]3CCCN(CC)C3)cc2F)CC1 ZINC000066921991 541393974 /nfs/dbraw/zinc/39/39/74/541393974.db2.gz OULPDGNSRVHNII-KRWDZBQOSA-N 0 3 362.493 2.182 10 0 FEAEHN CC(C)C(=O)NCCNC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000067570002 541482429 /nfs/dbraw/zinc/48/24/29/541482429.db2.gz QARKKGYUAQLBCU-GOSISDBHSA-N 0 3 360.502 2.113 10 0 FEAEHN COCCN(C)CCCNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000073721206 541991117 /nfs/dbraw/zinc/99/11/17/541991117.db2.gz LYNYXKXIAVQTIA-INIZCTEOSA-N 0 3 359.474 2.201 10 0 FEAEHN CCCC(=O)N[C@H]1CCCN(C(=O)NCCN2CCCC[C@@H]2CC)C1 ZINC000077644779 542404930 /nfs/dbraw/zinc/40/49/30/542404930.db2.gz YXCUPDXHVLVVPX-IRXDYDNUSA-N 0 3 352.523 2.341 10 0 FEAEHN CCCC(=O)N[C@@H]1CCCN(C(=O)NCCN2CCCC[C@@H]2CC)C1 ZINC000077644778 542404954 /nfs/dbraw/zinc/40/49/54/542404954.db2.gz YXCUPDXHVLVVPX-SJORKVTESA-N 0 3 352.523 2.341 10 0 FEAEHN COc1cccc(-c2nc3cc4[nH]c(=O)[nH]c4cc3[nH]2)c1OCCN(C)C ZINC000055244419 221063269 /nfs/dbraw/zinc/06/32/69/221063269.db2.gz JSJLFJGOQQQEJZ-UHFFFAOYSA-N 0 3 367.409 2.349 10 0 FEAEHN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C[C@@H](C)O1 ZINC000080197139 542573899 /nfs/dbraw/zinc/57/38/99/542573899.db2.gz CHUKLAQNPVGFKT-HZPDHXFCSA-N 0 3 359.470 2.247 10 0 FEAEHN Cc1nc2ccccc2nc1CN1CCN(C)[C@@]2(C1)CCC(=O)N(C)CC2 ZINC000091664768 542819017 /nfs/dbraw/zinc/81/90/17/542819017.db2.gz XNKJKQWAMVXOQR-NRFANRHFSA-N 0 3 367.497 2.067 10 0 FEAEHN CC(C)c1nc(CS(=O)(=O)C(C)C(=O)N[C@@H](C)c2ccccc2)no1 ZINC000098151814 543024116 /nfs/dbraw/zinc/02/41/16/543024116.db2.gz QDAJLYBECWZVTN-QWHCGFSZSA-N 0 3 365.455 2.374 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000101983444 543053533 /nfs/dbraw/zinc/05/35/33/543053533.db2.gz QKDNEJXPPORVGI-DLBZAZTESA-N 0 3 354.539 2.157 10 0 FEAEHN CCn1cnnc1[C@H]1CCCN(Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000103477194 543110352 /nfs/dbraw/zinc/11/03/52/543110352.db2.gz QZNWEQHRVNHBOY-ZDUSSCGKSA-N 0 3 372.860 2.339 10 0 FEAEHN CN(C)CCOc1ccc(CNC(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000105113802 543159137 /nfs/dbraw/zinc/15/91/37/543159137.db2.gz LDGAWMDZJGKQMD-GOSISDBHSA-N 0 3 360.502 2.007 10 0 FEAEHN Cc1ccccc1OC[C@@H](O)CN1CCC(N(C)c2cccnn2)CC1 ZINC000106083229 543192311 /nfs/dbraw/zinc/19/23/11/543192311.db2.gz WIYSTJWCZRVONA-SFHVURJKSA-N 0 3 356.470 2.126 10 0 FEAEHN Cc1cccc(C)c1OC[C@H](O)CN1CCC(N(C)c2cccnn2)CC1 ZINC000106084011 543192608 /nfs/dbraw/zinc/19/26/08/543192608.db2.gz BBXVPBHHHRHIPX-LJQANCHMSA-N 0 3 370.497 2.434 10 0 FEAEHN CN(C[C@@H](O)c1c(F)cccc1F)C1CCN(CCn2cccn2)CC1 ZINC000106128917 543206087 /nfs/dbraw/zinc/20/60/87/543206087.db2.gz PJAOHKDXWILQJV-GOSISDBHSA-N 0 3 364.440 2.291 10 0 FEAEHN CCc1nccn1[C@@H]1CCCN(Cc2nn3c(nc(C)cc3=O)s2)C1 ZINC000106215448 543217956 /nfs/dbraw/zinc/21/79/56/543217956.db2.gz FLKVWUIKDQRZGV-CYBMUJFWSA-N 0 3 358.471 2.055 10 0 FEAEHN CN(C)[C@@H](Cc1ccccc1)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000106426223 543229878 /nfs/dbraw/zinc/22/98/78/543229878.db2.gz FJIXQFRPABOBRI-FQEVSTJZSA-N 0 3 373.541 2.311 10 0 FEAEHN CCn1cc(CN2CCCN(C(=O)[C@@H](C)N3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000109661467 543333199 /nfs/dbraw/zinc/33/31/99/543333199.db2.gz BBVDMMYXYYYBHY-FGTMMUONSA-N 0 3 361.534 2.199 10 0 FEAEHN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000156007897 545591928 /nfs/dbraw/zinc/59/19/28/545591928.db2.gz XBAJHVWNLYHWNJ-GHMZBOCLSA-N 0 3 354.863 2.074 10 0 FEAEHN CC(C)[C@@H](C)NC(=O)C1CCN(C[C@@H](O)COCc2ccccc2)CC1 ZINC000114562701 543524117 /nfs/dbraw/zinc/52/41/17/543524117.db2.gz CCFXJSFFCNPCMG-YLJYHZDGSA-N 0 3 362.514 2.437 10 0 FEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000247462832 549337690 /nfs/dbraw/zinc/33/76/90/549337690.db2.gz QZDPLBZBQMPUAZ-PWSUYJOCSA-N 0 3 367.243 2.487 10 0 FEAEHN CCN1CCC[C@H](NC(=O)N2CCN(c3ccc(F)cc3OC)CC2)C1 ZINC000115807074 543587286 /nfs/dbraw/zinc/58/72/86/543587286.db2.gz XONPLOANSFZWAP-INIZCTEOSA-N 0 3 364.465 2.150 10 0 FEAEHN CCCCOc1ccc(CCNC(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000117030579 543621519 /nfs/dbraw/zinc/62/15/19/543621519.db2.gz VFAQTTJSGGDZGT-LJQANCHMSA-N 0 3 363.502 2.380 10 0 FEAEHN O=C(CCc1ccc(F)cc1F)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000126179667 543922195 /nfs/dbraw/zinc/92/21/95/543922195.db2.gz HIUDFPZEBLITCA-IBGZPJMESA-N 0 3 374.431 2.433 10 0 FEAEHN CCn1cnnc1[C@@H]1CCCN(C[C@H](O)COCc2ccccc2OC)C1 ZINC000126210371 543923519 /nfs/dbraw/zinc/92/35/19/543923519.db2.gz LQERFNCLZVJHJG-AEFFLSMTSA-N 0 3 374.485 2.064 10 0 FEAEHN COc1ccc(F)c(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)c1 ZINC000129559827 544117965 /nfs/dbraw/zinc/11/79/65/544117965.db2.gz LXHPAIMQCGRSOV-CYBMUJFWSA-N 0 3 351.422 2.009 10 0 FEAEHN CCc1nnc([C@H]2CN(C(=O)Nc3cccc(CN(C)C)c3)CCO2)[nH]1 ZINC000130024628 544135774 /nfs/dbraw/zinc/13/57/74/544135774.db2.gz ORACJTHCEMPYGI-OAHLLOKOSA-N 0 3 358.446 2.034 10 0 FEAEHN CN(C)CCN(Cc1cccn1C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000096294894 222111845 /nfs/dbraw/zinc/11/18/45/222111845.db2.gz KFOODTTXMQYWJR-GOSISDBHSA-N 0 3 365.905 2.482 10 0 FEAEHN CC(=O)N[C@H]1CCN(C2CCN(c3nnc(-c4ccccc4)s3)CC2)C1 ZINC000096135974 222040275 /nfs/dbraw/zinc/04/02/75/222040275.db2.gz KLNFOFUNJFIRLI-INIZCTEOSA-N 0 3 371.510 2.384 10 0 FEAEHN CC[C@H](C(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1)N(C)C ZINC000131759498 544205136 /nfs/dbraw/zinc/20/51/36/544205136.db2.gz JTEDWXIKRMATJH-UXHICEINSA-N 0 3 361.530 2.231 10 0 FEAEHN CCOc1ccccc1NC(=O)CCN1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000137129322 544384998 /nfs/dbraw/zinc/38/49/98/544384998.db2.gz UDNIZVXYCNBJRM-SJORKVTESA-N 0 3 363.502 2.191 10 0 FEAEHN CCOc1ccc(NC(=O)CCN2CCN(CCOC)[C@H](CC)C2)cc1 ZINC000137132305 544385434 /nfs/dbraw/zinc/38/54/34/544385434.db2.gz CYEAQXHYLXNXES-GOSISDBHSA-N 0 3 363.502 2.457 10 0 FEAEHN O[C@@H](COCc1ccccc1)CN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000151061569 544501441 /nfs/dbraw/zinc/50/14/41/544501441.db2.gz XKSMIJKOHDALML-RBUKOAKNSA-N 0 3 366.465 2.486 10 0 FEAEHN CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000151643567 544565122 /nfs/dbraw/zinc/56/51/22/544565122.db2.gz BABCAWNCWCIHRV-GFCCVEGCSA-N 0 3 356.264 2.438 10 0 FEAEHN CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000151643567 544565128 /nfs/dbraw/zinc/56/51/28/544565128.db2.gz BABCAWNCWCIHRV-GFCCVEGCSA-N 0 3 356.264 2.438 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cccc(-c3ncco3)c2)C1 ZINC000153712349 544812761 /nfs/dbraw/zinc/81/27/61/544812761.db2.gz PHRFRPHMVCLOHR-CJNGLKHVSA-N 0 3 356.426 2.125 10 0 FEAEHN CC1CCN(CCNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000153528007 544786420 /nfs/dbraw/zinc/78/64/20/544786420.db2.gz CGQXZRGSLHFSMI-IEBWSBKVSA-N 0 3 361.461 2.193 10 0 FEAEHN CCO[C@@H]1C[C@H](N(C)C(=O)NC2CCN(CCOC)CC2)C12CCCC2 ZINC000154168306 544873213 /nfs/dbraw/zinc/87/32/13/544873213.db2.gz CAPZKJULHFDPNG-ZWKOTPCHSA-N 0 3 367.534 2.476 10 0 FEAEHN COc1ccc(Cl)cc1NC(=O)CCN1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247536256 549352817 /nfs/dbraw/zinc/35/28/17/549352817.db2.gz CNLVBXFHCNNLDH-KBPBESRZSA-N 0 3 369.893 2.064 10 0 FEAEHN C[C@@H]1C[C@H](C(=O)N2CCC(C(=O)NCCN(C)C)CC2)CC(C)(C)C1 ZINC000180149399 327673548 /nfs/dbraw/zinc/67/35/48/327673548.db2.gz LUCPMIONZVPBJF-WBVHZDCISA-N 0 3 351.535 2.365 10 0 FEAEHN Cc1nc(Br)ccc1NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000181306633 327724304 /nfs/dbraw/zinc/72/43/04/327724304.db2.gz COYZIUXKHPCOTQ-LBPRGKRZSA-N 0 3 371.279 2.121 10 0 FEAEHN COCCC1(CNC(=O)NC[C@@H](O)CN2CCCCC2)CCCCC1 ZINC000186298863 327956014 /nfs/dbraw/zinc/95/60/14/327956014.db2.gz OWARJJSFZIQZDB-QGZVFWFLSA-N 0 3 355.523 2.119 10 0 FEAEHN CC(C)OCCNC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000186335817 327957539 /nfs/dbraw/zinc/95/75/39/327957539.db2.gz SFGDTXHRYNSYLG-LJQANCHMSA-N 0 3 363.502 2.156 10 0 FEAEHN CN(C)C1(CN(C)C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CCC1 ZINC000187013551 327997061 /nfs/dbraw/zinc/99/70/61/327997061.db2.gz UYNDRBWJBLFQAW-SJLPKXTDSA-N 0 3 361.461 2.288 10 0 FEAEHN C[C@H](NC[C@H](O)CN1CCCCC1)c1ncc(Br)cc1F ZINC000187049884 327999473 /nfs/dbraw/zinc/99/94/73/327999473.db2.gz GXCNXPILLZBBLT-AAEUAGOBSA-N 0 3 360.271 2.481 10 0 FEAEHN C[C@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc(-n2ccnc2)c1 ZINC000189917663 328176064 /nfs/dbraw/zinc/17/60/64/328176064.db2.gz GOPZGSLRVQVSDP-MAUKXSAKSA-N 0 3 364.453 2.452 10 0 FEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1N1CCCC1 ZINC000190347634 328201774 /nfs/dbraw/zinc/20/17/74/328201774.db2.gz KEZMHWJOQJJCFH-IAGOWNOFSA-N 0 3 370.497 2.311 10 0 FEAEHN CCN(CC(=O)OC(C)(C)C)C1CCN(CCC(=O)NC(C)C)CC1 ZINC000190352837 328201988 /nfs/dbraw/zinc/20/19/88/328201988.db2.gz JOTQGBPKCLLVTQ-UHFFFAOYSA-N 0 3 355.523 2.029 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(-c2ncco2)c1 ZINC000190350535 328202087 /nfs/dbraw/zinc/20/20/87/328202087.db2.gz PDIHOIAMEAKWNL-DLBZAZTESA-N 0 3 368.437 2.365 10 0 FEAEHN CCOC(=O)C(C)(C)C(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000190533454 328214395 /nfs/dbraw/zinc/21/43/95/328214395.db2.gz JJXNPZIKHIQBKN-CQSZACIVSA-N 0 3 367.515 2.321 10 0 FEAEHN Cc1ccc(NC(=O)C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)cc1 ZINC000190612202 328219463 /nfs/dbraw/zinc/21/94/63/328219463.db2.gz NQJXROCNYOZUQI-SFHVURJKSA-N 0 3 366.465 2.309 10 0 FEAEHN CC(C)CCn1cc(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)nn1 ZINC000190643885 328221755 /nfs/dbraw/zinc/22/17/55/328221755.db2.gz JYGSGOLSJIAIJJ-SFHVURJKSA-N 0 3 370.501 2.313 10 0 FEAEHN C[C@@H](Oc1cccnc1)C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190580570 328217645 /nfs/dbraw/zinc/21/76/45/328217645.db2.gz ZOTNQGKOFOWPCV-SJLPKXTDSA-N 0 3 354.454 2.224 10 0 FEAEHN CNc1snc(C)c1C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190648824 328221987 /nfs/dbraw/zinc/22/19/87/328221987.db2.gz PHFHYPRLFSZCMH-OAHLLOKOSA-N 0 3 359.499 2.482 10 0 FEAEHN COCCCCNC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000190693230 328225241 /nfs/dbraw/zinc/22/52/41/328225241.db2.gz RTBPHHSZNTXJDH-HNNXBMFYSA-N 0 3 354.520 2.341 10 0 FEAEHN COC[C@H](NC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1)C1CC1 ZINC000190729736 328228434 /nfs/dbraw/zinc/22/84/34/328228434.db2.gz QYOOVCHLBUTUBT-ZBFHGGJFSA-N 0 3 366.531 2.340 10 0 FEAEHN COC(=O)[C@H]1C[C@H]1C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000190804394 328233386 /nfs/dbraw/zinc/23/33/86/328233386.db2.gz BRHYLMMCOPZFGA-MSOLQXFVSA-N 0 3 359.470 2.273 10 0 FEAEHN CNc1cc(N2CCC[C@H]2CNCc2nccn2-c2ccccc2)ncn1 ZINC000190971640 328242807 /nfs/dbraw/zinc/24/28/07/328242807.db2.gz PXYLEBUVDRKDSK-KRWDZBQOSA-N 0 3 363.469 2.463 10 0 FEAEHN O=S(=O)(N[C@H]1CNCC[C@@H]1c1ccc(F)c(F)c1)N1CCCCCC1 ZINC000193439329 328375682 /nfs/dbraw/zinc/37/56/82/328375682.db2.gz AHXFKCOBLRYFLX-PBHICJAKSA-N 0 3 373.469 2.121 10 0 FEAEHN Cc1cc(NC(=O)C(=O)N2CC[C@H](N(C)C)C2)ccc1Oc1ccncc1 ZINC000194827503 328442433 /nfs/dbraw/zinc/44/24/33/328442433.db2.gz GXNFPQYZYBZWSZ-INIZCTEOSA-N 0 3 368.437 2.283 10 0 FEAEHN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cccc(Br)c1 ZINC000083551071 325218951 /nfs/dbraw/zinc/21/89/51/325218951.db2.gz HMUMGMGVEFCQMJ-WCQYABFASA-N 0 3 359.289 2.306 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000083710863 325222626 /nfs/dbraw/zinc/22/26/26/325222626.db2.gz WWEGEKKAPRNXLL-SJLPKXTDSA-N 0 3 355.523 2.332 10 0 FEAEHN C[C@H](N[C@H]1CCCN(c2cccnn2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000089732657 325329256 /nfs/dbraw/zinc/32/92/56/325329256.db2.gz LVPMUJFZPRZHAC-HOCLYGCPSA-N 0 3 360.483 2.200 10 0 FEAEHN CC(C)(C)OC[C@H](O)CN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000102520904 325494417 /nfs/dbraw/zinc/49/44/17/325494417.db2.gz NMZJXCONUBFNKT-OAHLLOKOSA-N 0 3 360.458 2.487 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000106770407 325609365 /nfs/dbraw/zinc/60/93/65/325609365.db2.gz QWWOEFWYAANORA-AWEZNQCLSA-N 0 3 363.259 2.411 10 0 FEAEHN COc1cccc(CNC(=O)N(C)C2CCN(CCn3cccn3)CC2)c1 ZINC000109352748 325665987 /nfs/dbraw/zinc/66/59/87/325665987.db2.gz HTJAMJCTBXDENP-UHFFFAOYSA-N 0 3 371.485 2.198 10 0 FEAEHN C[C@@H](N[C@@H]1CCc2ncnn2C1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000112550272 325789818 /nfs/dbraw/zinc/78/98/18/325789818.db2.gz QWINUEGYTAGLBB-ZWNOBZJWSA-N 0 3 353.348 2.229 10 0 FEAEHN CCOc1ccc(NC(=O)[C@H](C)N[C@@H]2CCc3nc(CC)nn3C2)cc1 ZINC000112550547 325789924 /nfs/dbraw/zinc/78/99/24/325789924.db2.gz UEDLYRVVQNZPEP-DZGCQCFKSA-N 0 3 357.458 2.171 10 0 FEAEHN CN(C)Cc1ccc(N2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)CC2)nc1 ZINC000114415779 325891069 /nfs/dbraw/zinc/89/10/69/325891069.db2.gz IFWFRYQPOGXWCB-UHFFFAOYSA-N 0 3 370.501 2.126 10 0 FEAEHN Cc1cnc(NC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)s1 ZINC000114511632 325901227 /nfs/dbraw/zinc/90/12/27/325901227.db2.gz PZGJHVBZWFTAFL-UHFFFAOYSA-N 0 3 360.487 2.262 10 0 FEAEHN O=C(CCN1CCC[C@H]1c1ccco1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000116295220 326003736 /nfs/dbraw/zinc/00/37/36/326003736.db2.gz FDZPOWURRQRAHE-AWEZNQCLSA-N 0 3 374.441 2.093 10 0 FEAEHN Cc1ccc(C(=O)N2CCO[C@@H](CN(C)C)C2)cc1NC(=O)c1ccco1 ZINC000116786793 326035078 /nfs/dbraw/zinc/03/50/78/326035078.db2.gz JJKZRDDKKVWYNE-INIZCTEOSA-N 0 3 371.437 2.243 10 0 FEAEHN Cc1cc(C)n(-c2ccc(C(=O)N3CCO[C@H](CN(C)C)C3)cc2F)n1 ZINC000116787112 326035187 /nfs/dbraw/zinc/03/51/87/326035187.db2.gz GPMMTLRSNXDVBK-MRXNPFEDSA-N 0 3 360.433 2.031 10 0 FEAEHN COc1cc(C(=O)N2CCO[C@H](CN(C)C)C2)ccc1OC1CCCC1 ZINC000116795458 326036611 /nfs/dbraw/zinc/03/66/11/326036611.db2.gz MERDNMKNUPVSBC-QGZVFWFLSA-N 0 3 362.470 2.419 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)C1 ZINC000117056749 326049754 /nfs/dbraw/zinc/04/97/54/326049754.db2.gz HNRUUJCOXGWMAP-ZIAGYGMSSA-N 0 3 368.428 2.212 10 0 FEAEHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCn1cc(C)cn1 ZINC000118078003 326079392 /nfs/dbraw/zinc/07/93/92/326079392.db2.gz HKSGPGLGVCTRMR-IBGZPJMESA-N 0 3 370.501 2.283 10 0 FEAEHN CCN1CCC[C@@H](NC(=O)CCc2ccc(S(=O)(=O)CC)cc2)C1 ZINC000119040886 326120789 /nfs/dbraw/zinc/12/07/89/326120789.db2.gz HIZGWQIRJCFPPD-MRXNPFEDSA-N 0 3 352.500 2.013 10 0 FEAEHN COCCC1(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)CCCC1 ZINC000119762085 326195765 /nfs/dbraw/zinc/19/57/65/326195765.db2.gz VHQXWARHXPVIKI-IBGZPJMESA-N 0 3 360.498 2.119 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000120309628 326248642 /nfs/dbraw/zinc/24/86/42/326248642.db2.gz SODXWKSGQKNQIS-OSPHWJPCSA-N 0 3 353.532 2.211 10 0 FEAEHN CNC(=O)c1ccc(OC)c(NC(=O)N[C@H](CN(C)C)c2ccccc2)c1 ZINC000120400946 326255595 /nfs/dbraw/zinc/25/55/95/326255595.db2.gz INOGWQZUFJFYGF-QGZVFWFLSA-N 0 3 370.453 2.479 10 0 FEAEHN COCOc1ccc(OC)cc1CN[C@H]1CCCN(c2cccnn2)C1 ZINC000122315295 326392299 /nfs/dbraw/zinc/39/22/99/326392299.db2.gz XDPPZIKGXGNRDL-INIZCTEOSA-N 0 3 358.442 2.227 10 0 FEAEHN Cc1ccn2c(c1)ncc(C(=O)N[C@@H](CN(C)C)c1ccccc1)c2=O ZINC000122325206 326392386 /nfs/dbraw/zinc/39/23/86/326392386.db2.gz PMUKCLMXAURJAZ-KRWDZBQOSA-N 0 3 350.422 2.036 10 0 FEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000135614878 326645446 /nfs/dbraw/zinc/64/54/46/326645446.db2.gz RJCFVODZQNLFQI-KBPBESRZSA-N 0 3 352.445 2.241 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000152472722 326708241 /nfs/dbraw/zinc/70/82/41/326708241.db2.gz BKNXUSIYNPIYHH-JTQLQIEISA-N 0 3 374.666 2.204 10 0 FEAEHN CCO[C@@H]1C[C@@H](N(C)C(=O)NC2CCN(CCOC)CC2)C12CCCC2 ZINC000154168525 326753072 /nfs/dbraw/zinc/75/30/72/326753072.db2.gz CAPZKJULHFDPNG-QZTJIDSGSA-N 0 3 367.534 2.476 10 0 FEAEHN CN(C)C[C@@H]1CN(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CCO1 ZINC000155354112 326785717 /nfs/dbraw/zinc/78/57/17/326785717.db2.gz LKZADYWTECFXHJ-CQSZACIVSA-N 0 3 374.312 2.214 10 0 FEAEHN COc1cccc([C@H](CNc2cc(N3CCC[C@H]3CO)ncn2)N(C)C)c1 ZINC000246222619 328600503 /nfs/dbraw/zinc/60/05/03/328600503.db2.gz ZGUDMXMEPKJKSP-WMZOPIPTSA-N 0 3 371.485 2.161 10 0 FEAEHN CCC[C@H](C(=O)NCCCN1CCN(c2cccc(C)c2)CC1)N(C)C ZINC000161527065 327002071 /nfs/dbraw/zinc/00/20/71/327002071.db2.gz ODANGQBACWMNDV-HXUWFJFHSA-N 0 3 360.546 2.354 10 0 FEAEHN CCC[C@H](C(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)N(C)C ZINC000161657355 327005189 /nfs/dbraw/zinc/00/51/89/327005189.db2.gz VNLPKPPLHLANKJ-LJQANCHMSA-N 0 3 370.497 2.112 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2nc(-c3ccccc3F)cs2)C1 ZINC000170843648 327102248 /nfs/dbraw/zinc/10/22/48/327102248.db2.gz WPLGTNYFBZWBFR-NSHDSACASA-N 0 3 362.430 2.050 10 0 FEAEHN Cc1cccc(C2N=NC(=S)N2CCC(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000170859527 327103008 /nfs/dbraw/zinc/10/30/08/327103008.db2.gz NAXZAYOZYGQXBG-HNNXBMFYSA-N 0 3 359.499 2.095 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000170859786 327103351 /nfs/dbraw/zinc/10/33/51/327103351.db2.gz WUVWTVXYWAUGAF-IBGZPJMESA-N 0 3 351.450 2.246 10 0 FEAEHN CC1CCN(c2ccc(CNC(=O)N3CCN4CCC[C@@H]4C3)cn2)CC1 ZINC000171900426 327168650 /nfs/dbraw/zinc/16/86/50/327168650.db2.gz HDZCVPXXEPFRCP-GOSISDBHSA-N 0 3 357.502 2.308 10 0 FEAEHN CCCCNC(=O)c1ccc(CNC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000171902370 327169073 /nfs/dbraw/zinc/16/90/73/327169073.db2.gz PIUPGZLIOWSMBA-SFHVURJKSA-N 0 3 358.486 2.206 10 0 FEAEHN COc1ccc2cc(CNC(=O)N3CCO[C@@H](CN(C)C)C3)ccc2c1 ZINC000172046735 327177896 /nfs/dbraw/zinc/17/78/96/327177896.db2.gz DFVVLOWZDROQTK-IBGZPJMESA-N 0 3 357.454 2.320 10 0 FEAEHN CCS(=O)(=O)Nc1ccc(NC(=O)N2CCN3CCC[C@H]3C2)cc1C ZINC000172317119 327195457 /nfs/dbraw/zinc/19/54/57/327195457.db2.gz HSGGJBXMTGLYMO-HNNXBMFYSA-N 0 3 366.487 2.069 10 0 FEAEHN CCS(=O)(=O)Nc1ccc(NC(=O)N2CCN3CCC[C@@H]3C2)cc1C ZINC000172317117 327195524 /nfs/dbraw/zinc/19/55/24/327195524.db2.gz HSGGJBXMTGLYMO-OAHLLOKOSA-N 0 3 366.487 2.069 10 0 FEAEHN CCc1ccc([C@H](CNC(=O)N2CCC[C@@H](n3cncn3)C2)N(C)C)cc1 ZINC000173412750 327254625 /nfs/dbraw/zinc/25/46/25/327254625.db2.gz YXNMCFPWQHAILF-MOPGFXCFSA-N 0 3 370.501 2.490 10 0 FEAEHN CCN1CCN(C[C@@H](C)CNC(=O)NC2C3CC4CC(C3)CC2C4)CC1 ZINC000173448134 327257916 /nfs/dbraw/zinc/25/79/16/327257916.db2.gz SDTYNCAOEJUGCM-ZZRKNQPCSA-N 0 3 362.562 2.384 10 0 FEAEHN C[C@@H](C(=O)N1CCO[C@@H](CN(C)C)C1)c1ccc(Br)s1 ZINC000173521825 327263402 /nfs/dbraw/zinc/26/34/02/327263402.db2.gz ULGLYCCJFJVDOV-MNOVXSKESA-N 0 3 361.305 2.403 10 0 FEAEHN COc1ccc([C@@H](C)NC(=O)Nc2ccn(CCN(C)C)n2)cc1OC ZINC000173913684 327293882 /nfs/dbraw/zinc/29/38/82/327293882.db2.gz PBGBXZDKXLVZJC-CYBMUJFWSA-N 0 3 361.446 2.345 10 0 FEAEHN C[C@@H](NC(=O)Nc1ccn(CCN(C)C)n1)c1ccc2c(c1)OCCO2 ZINC000173924269 327295011 /nfs/dbraw/zinc/29/50/11/327295011.db2.gz QLYIXPQUXVOGQW-CYBMUJFWSA-N 0 3 359.430 2.099 10 0 FEAEHN C[C@H](OC[C@@H](O)CN1CC[C@H](N2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000173927692 327295262 /nfs/dbraw/zinc/29/52/62/327295262.db2.gz GFKWUGVNSQLCBV-SNRMKQJTSA-N 0 3 368.905 2.185 10 0 FEAEHN C[C@@H]1CN(C(=O)c2oc3ccccc3c2CN(C)C)C[C@@H]1N1CCOCC1 ZINC000173979207 327299292 /nfs/dbraw/zinc/29/92/92/327299292.db2.gz ODSLOTVFYRXSGA-QAPCUYQASA-N 0 3 371.481 2.287 10 0 FEAEHN C[C@H](SCC(=O)N1CCO[C@H](CN(C)C)C1)c1nc2ccccc2[nH]1 ZINC000174244984 327315394 /nfs/dbraw/zinc/31/53/94/327315394.db2.gz LQUPPBNTNZTIQQ-UONOGXRCSA-N 0 3 362.499 2.146 10 0 FEAEHN O=C(NCc1ccccc1)c1cc(NC[C@H](O)CN2CCCCC2)ccn1 ZINC000174685120 327343404 /nfs/dbraw/zinc/34/34/04/327343404.db2.gz CHCHEMAWLYWMDQ-IBGZPJMESA-N 0 3 368.481 2.270 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000175343699 327388152 /nfs/dbraw/zinc/38/81/52/327388152.db2.gz ALVXLTCSKUNUIY-OAHLLOKOSA-N 0 3 355.429 2.320 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCc1ccccc1CS(C)(=O)=O ZINC000175864243 327418715 /nfs/dbraw/zinc/41/87/15/327418715.db2.gz ILCKLQOEDNNSTO-QGZVFWFLSA-N 0 3 369.531 2.007 10 0 FEAEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)c1cnns1 ZINC000177466432 327524696 /nfs/dbraw/zinc/52/46/96/327524696.db2.gz IVIVYWSAPOVPNW-INIZCTEOSA-N 0 3 360.483 2.056 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CCO1 ZINC000247573446 328695250 /nfs/dbraw/zinc/69/52/50/328695250.db2.gz XBCSHQLWVSRYPM-OWCLPIDISA-N 0 3 367.287 2.342 10 0 FEAEHN C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2F)C[C@H]1N(C)C ZINC000253121498 328796244 /nfs/dbraw/zinc/79/62/44/328796244.db2.gz NBLIPCAWLCXCDW-BXKDBHETSA-N 0 3 365.268 2.159 10 0 FEAEHN NC1(C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)CCOCC1 ZINC000261942087 328830877 /nfs/dbraw/zinc/83/08/77/328830877.db2.gz XPAWBAOLFNAUNB-UHFFFAOYSA-N 0 3 371.412 2.202 10 0 FEAEHN N[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C2CCCC2)C[C@H]1c1ccccc1 ZINC000262190502 328849807 /nfs/dbraw/zinc/84/98/07/328849807.db2.gz JNKFGRWMYMPGGN-OTWHNJEPSA-N 0 3 355.482 2.121 10 0 FEAEHN O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)[C@@H]1C[C@@H](O)CN1 ZINC000262348399 328860589 /nfs/dbraw/zinc/86/05/89/328860589.db2.gz GXGRAAZYSKMZMN-SCZZXKLOSA-N 0 3 356.860 2.004 10 0 FEAEHN CN1CCNC[C@@H]1c1noc(-c2ccc(OCc3ccccn3)cc2)n1 ZINC000263201386 328924751 /nfs/dbraw/zinc/92/47/51/328924751.db2.gz JBKRXCXFILAOCS-QGZVFWFLSA-N 0 3 351.410 2.287 10 0 FEAEHN COc1ccc(-c2nc([C@@H]3CNCCN3C)no2)cc1Br ZINC000263231610 328927071 /nfs/dbraw/zinc/92/70/71/328927071.db2.gz NNCSKCUFPIXRSI-NSHDSACASA-N 0 3 353.220 2.084 10 0 FEAEHN COc1cc(/C=C/c2nc([C@H]3CNCCN3C)no2)cc(Cl)c1OC ZINC000263292636 328930872 /nfs/dbraw/zinc/93/08/72/328930872.db2.gz VWKMAVOSFALKQL-MUBLQREKSA-N 0 3 364.833 2.487 10 0 FEAEHN CCC[C@@H](C(=O)N1CCC(C2N=NC(=S)N2C2CC2)CC1)N(C)C ZINC000155591956 545546409 /nfs/dbraw/zinc/54/64/09/545546409.db2.gz RQQFNGVDOHGSLP-AWEZNQCLSA-N 0 3 351.520 2.338 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000155819054 545573164 /nfs/dbraw/zinc/57/31/64/545573164.db2.gz MIFCBXCFXRCJKK-SNVBAGLBSA-N 0 3 374.666 2.204 10 0 FEAEHN Cc1coc(-c2cccc(NC(=O)C(=O)N[C@H]3CN(C(C)C)C[C@@H]3C)c2)n1 ZINC000158081138 545821253 /nfs/dbraw/zinc/82/12/53/545821253.db2.gz PACRFCDVRAIHOC-GUYCJALGSA-N 0 3 370.453 2.433 10 0 FEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccccc2OCC(F)F)[C@@H](C)C1 ZINC000158774608 545893925 /nfs/dbraw/zinc/89/39/25/545893925.db2.gz PQYUFAMNZFDERU-JSGCOSHPSA-N 0 3 369.412 2.114 10 0 FEAEHN OC[C@H]1CCCN(c2cc(NCCc3nc4ccc(F)cc4[nH]3)ncn2)C1 ZINC000158991432 545912718 /nfs/dbraw/zinc/91/27/18/545912718.db2.gz CIUNFLPCPFFESZ-ZDUSSCGKSA-N 0 3 370.432 2.355 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)NCCOc2ccc3ccccc3c2)CCO1 ZINC000172117968 546237370 /nfs/dbraw/zinc/23/73/70/546237370.db2.gz AGNBVLDNTNVCLL-LJQANCHMSA-N 0 3 357.454 2.191 10 0 FEAEHN O=C(Nc1ccnc(Oc2ccccc2)c1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000175883630 546366605 /nfs/dbraw/zinc/36/66/05/546366605.db2.gz XQWHXKZGOSPNEZ-MRXNPFEDSA-N 0 3 366.421 2.119 10 0 FEAEHN O=C(Nc1ccnc(Oc2ccccc2)c1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000175883645 546367067 /nfs/dbraw/zinc/36/70/67/546367067.db2.gz XQWHXKZGOSPNEZ-INIZCTEOSA-N 0 3 366.421 2.119 10 0 FEAEHN CCOc1ccc(NC(=O)CNC(=O)N(C)C[C@@H]2CCCN2CC)cc1 ZINC000176272070 546426091 /nfs/dbraw/zinc/42/60/91/546426091.db2.gz XDEWKVYEYYPKIJ-INIZCTEOSA-N 0 3 362.474 2.150 10 0 FEAEHN CN(C)C[C@H]1CN(CCC(=O)Nc2cccc(C(F)(F)F)c2)CCO1 ZINC000176818299 546492734 /nfs/dbraw/zinc/49/27/34/546492734.db2.gz HIMOGSYKNPDRCT-HNNXBMFYSA-N 0 3 359.392 2.296 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(COC(C)C)c1 ZINC000176891295 546501670 /nfs/dbraw/zinc/50/16/70/546501670.db2.gz USNLDRPDPYSNCT-SFHVURJKSA-N 0 3 361.486 2.493 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000176904325 546505291 /nfs/dbraw/zinc/50/52/91/546505291.db2.gz XSMNQWRCVACXJX-MRXNPFEDSA-N 0 3 374.485 2.284 10 0 FEAEHN CN(Cc1nnc(C2CC2)n1C)C1CCN(CCc2ccccn2)CC1 ZINC000177258000 546580569 /nfs/dbraw/zinc/58/05/69/546580569.db2.gz ZQSXJKMTTWHLNH-UHFFFAOYSA-N 0 3 354.502 2.226 10 0 FEAEHN CN(C)CCOc1cccc(CNC(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000177387784 546607250 /nfs/dbraw/zinc/60/72/50/546607250.db2.gz NVAPTXXOIHLBRT-GOSISDBHSA-N 0 3 371.485 2.198 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCCOc1cccc(NC(C)=O)c1 ZINC000177483678 546629102 /nfs/dbraw/zinc/62/91/02/546629102.db2.gz MIUMNLFFNBCNNQ-QGZVFWFLSA-N 0 3 362.474 2.150 10 0 FEAEHN Cc1nc(-c2ccc(NC(=O)C(=O)N3CCN4CCC[C@H]4C3)cc2)cs1 ZINC000177690906 546667761 /nfs/dbraw/zinc/66/77/61/546667761.db2.gz LDEOWYODBPUWPD-INIZCTEOSA-N 0 3 370.478 2.364 10 0 FEAEHN CCN1CCN(C(=O)[C@H](C)N[C@@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000180668780 547154360 /nfs/dbraw/zinc/15/43/60/547154360.db2.gz LKSIFEWSXYJTNI-IRXDYDNUSA-N 0 3 355.486 2.076 10 0 FEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(OC)c(Br)n1 ZINC000181248445 547280579 /nfs/dbraw/zinc/28/05/79/547280579.db2.gz VOTRGNSQDFIVTB-LLVKDONJSA-N 0 3 356.264 2.409 10 0 FEAEHN CC(C)c1nnc2n1C[C@@H](NC(=O)NC[C@H](c1ccccc1)N(C)C)CC2 ZINC000181389627 547306961 /nfs/dbraw/zinc/30/69/61/547306961.db2.gz ZVSKDHYZYQQVPJ-DLBZAZTESA-N 0 3 370.501 2.318 10 0 FEAEHN COCc1ccsc1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000181906079 547402642 /nfs/dbraw/zinc/40/26/42/547402642.db2.gz JQHWPSRHPBGJPW-UHFFFAOYSA-N 0 3 374.510 2.314 10 0 FEAEHN CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000182278689 547465850 /nfs/dbraw/zinc/46/58/50/547465850.db2.gz NVCZGSTZEHEMFT-LSDHHAIUSA-N 0 3 364.456 2.386 10 0 FEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000182539931 547510426 /nfs/dbraw/zinc/51/04/26/547510426.db2.gz QXECKDNVSQQRGR-QFBILLFUSA-N 0 3 357.498 2.272 10 0 FEAEHN CC(=O)N[C@H]1CCCN(C(=O)CN[C@@H]2c3ccccc3CCC2(C)C)C1 ZINC000183217350 547622055 /nfs/dbraw/zinc/62/20/55/547622055.db2.gz LAZQTGBDNHKSOR-FXAWDEMLSA-N 0 3 357.498 2.417 10 0 FEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000183501317 547671414 /nfs/dbraw/zinc/67/14/14/547671414.db2.gz WCBHOYCNVJZAEK-JTQLQIEISA-N 0 3 361.776 2.042 10 0 FEAEHN CC[C@H]1CN2CCC[C@@H]2CN1CCCS(=O)(=O)c1ccccc1OC ZINC000184266362 547797464 /nfs/dbraw/zinc/79/74/64/547797464.db2.gz IBMUWNWJMSLQSN-DLBZAZTESA-N 0 3 366.527 2.418 10 0 FEAEHN COCCN1CCN(Cc2nc3ccc(Br)cc3[nH]2)C[C@H]1C ZINC000184967209 547909376 /nfs/dbraw/zinc/90/93/76/547909376.db2.gz NRERGVWOTRRIMT-GFCCVEGCSA-N 0 3 367.291 2.478 10 0 FEAEHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000185509246 547995347 /nfs/dbraw/zinc/99/53/47/547995347.db2.gz HPJYRQCQNNJWKF-QLFBSQMISA-N 0 3 364.456 2.433 10 0 FEAEHN CCO[C@H]1C[C@@H](NC(=O)N(CCN(C)C)CC(C)C)C12CCOCC2 ZINC000185679185 548018249 /nfs/dbraw/zinc/01/82/49/548018249.db2.gz NYMSZXFNSXZWAW-SJORKVTESA-N 0 3 355.523 2.190 10 0 FEAEHN CC(C)c1nnc2n1C[C@@H](N[C@H](C)CS(=O)(=O)c1ccccc1)CC2 ZINC000186293579 548114141 /nfs/dbraw/zinc/11/41/41/548114141.db2.gz QSCNQQYOFREJFU-CABCVRRESA-N 0 3 362.499 2.168 10 0 FEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)c2ccccc2F)C1 ZINC000192938321 548376558 /nfs/dbraw/zinc/37/65/58/548376558.db2.gz ZBTFQHMFDPQBTA-INIZCTEOSA-N 0 3 363.458 2.363 10 0 FEAEHN CCN1CCC[C@H](NC(=O)NCc2cccc(CN3CCCC3=O)c2)C1 ZINC000194144074 548440629 /nfs/dbraw/zinc/44/06/29/548440629.db2.gz DCFBPUQXCRNHGA-SFHVURJKSA-N 0 3 358.486 2.093 10 0 FEAEHN CC(C)(C)OC(=O)N1CC[C@](C)(CN2CC[C@H](N3CCOCC3)C2)C1 ZINC000195163321 548587220 /nfs/dbraw/zinc/58/72/20/548587220.db2.gz UFFQPZZWANSLOD-QFBILLFUSA-N 0 3 353.507 2.040 10 0 FEAEHN CCCCOC[C@@H](O)CN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000195186924 548592072 /nfs/dbraw/zinc/59/20/72/548592072.db2.gz SIHXFLOYHCKGND-IRXDYDNUSA-N 0 3 353.438 2.199 10 0 FEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(CC(=O)N(C)CC2CC2)C1 ZINC000195255671 548605555 /nfs/dbraw/zinc/60/55/55/548605555.db2.gz RDCVBKUEAJPOLB-MRXNPFEDSA-N 0 3 350.532 2.074 10 0 FEAEHN COc1ccc(NC(=O)CN2CC[C@@H](CN(C)Cc3cccnc3)C2)cc1 ZINC000195299173 548615588 /nfs/dbraw/zinc/61/55/88/548615588.db2.gz LBESRRDYZNDKMC-SFHVURJKSA-N 0 3 368.481 2.483 10 0 FEAEHN Cc1ccc(-c2noc(CCC(=O)N3CCN4CCC[C@@H]4C3)n2)cc1F ZINC000195336512 548626866 /nfs/dbraw/zinc/62/68/66/548626866.db2.gz MYLOCMWSUCVEMF-OAHLLOKOSA-N 0 3 358.417 2.423 10 0 FEAEHN O=C(c1cc(Br)c2c(c1)OCCO2)N1CCN2CCC[C@@H]2C1 ZINC000195450886 548642360 /nfs/dbraw/zinc/64/23/60/548642360.db2.gz KJZATHXFULIONT-GFCCVEGCSA-N 0 3 367.243 2.141 10 0 FEAEHN CCOC(=O)c1cccc(OC[C@H](O)CN2CCC(c3cc[nH]n3)CC2)c1 ZINC000195512791 548653675 /nfs/dbraw/zinc/65/36/75/548653675.db2.gz KFPAKGBEMBARFZ-QGZVFWFLSA-N 0 3 373.453 2.206 10 0 FEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O ZINC000245438264 548919925 /nfs/dbraw/zinc/91/99/25/548919925.db2.gz XQXOETHJHVEJRO-YJBOKZPZSA-N 0 3 371.481 2.250 10 0 FEAEHN CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000245624516 548960191 /nfs/dbraw/zinc/96/01/91/548960191.db2.gz GDBFAOHSVWRDRS-AOIWGVFYSA-N 0 3 361.461 2.336 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000245672391 548971372 /nfs/dbraw/zinc/97/13/72/548971372.db2.gz FMSPNBGESVMLNA-FUMQJTLXSA-N 0 3 363.527 2.204 10 0 FEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)C1 ZINC000245747857 548987528 /nfs/dbraw/zinc/98/75/28/548987528.db2.gz ANFWQCUQWJMVQV-IXDOHACOSA-N 0 3 350.894 2.431 10 0 FEAEHN COCCN1CCN(C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000245782071 548993443 /nfs/dbraw/zinc/99/34/43/548993443.db2.gz CRKVUKXACMXLEW-HOCLYGCPSA-N 0 3 360.420 2.261 10 0 FEAEHN Cc1nccn1C[C@@H]1CCCN1[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000245912792 549016498 /nfs/dbraw/zinc/01/64/98/549016498.db2.gz DSBRIDLRLINVPZ-ZBFHGGJFSA-N 0 3 367.453 2.030 10 0 FEAEHN CC(C)c1nnc(CS(=O)(=O)C(C)C(=O)N2[C@H](C)CCC[C@@H]2C)n1C ZINC000245914084 549017054 /nfs/dbraw/zinc/01/70/54/549017054.db2.gz PSPRDNJSVDRPPH-MJBXVCDLSA-N 0 3 370.519 2.031 10 0 FEAEHN C[C@@H]1CN(Cc2ccccc2NC(=O)N2CC[C@@H](N(C)C)C2)C[C@H](C)O1 ZINC000246024176 549037692 /nfs/dbraw/zinc/03/76/92/549037692.db2.gz QHDURURSHMYRPN-SOLBZPMBSA-N 0 3 360.502 2.464 10 0 FEAEHN C[C@@H]1CN(c2ccc(NC(=O)CN3CCN4CCC[C@H]4C3)cc2)C[C@@H](C)O1 ZINC000246321376 549104610 /nfs/dbraw/zinc/10/46/10/549104610.db2.gz KNBPHFPQAFKIHF-HLIPFELVSA-N 0 3 372.513 2.019 10 0 FEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000246317992 549104693 /nfs/dbraw/zinc/10/46/93/549104693.db2.gz FHTVOAOMMKXYFJ-BXUZGUMPSA-N 0 3 368.275 2.233 10 0 FEAEHN Cc1cc(=O)oc2cc(OCCN3C[C@@H](C)[C@@H](N4CCOCC4)C3)ccc12 ZINC000246388916 549121747 /nfs/dbraw/zinc/12/17/47/549121747.db2.gz ISVHLRNZFDIMQG-APWZRJJASA-N 0 3 372.465 2.133 10 0 FEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000246392468 549123247 /nfs/dbraw/zinc/12/32/47/549123247.db2.gz ISJKLFHUAINQSH-HCXYKTFWSA-N 0 3 368.566 2.246 10 0 FEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2N2CCCC2)C1 ZINC000246526556 549153713 /nfs/dbraw/zinc/15/37/13/549153713.db2.gz UQEDTPMDYSWPLY-DOTOQJQBSA-N 0 3 358.486 2.070 10 0 FEAEHN COc1ccccc1N1CC[C@H](N2CCC[C@@H]2Cn2ccnc2C)C1=O ZINC000246573440 549165416 /nfs/dbraw/zinc/16/54/16/549165416.db2.gz XRDYZOQEURDAHH-AEFFLSMTSA-N 0 3 354.454 2.470 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cccc(C(=O)N2CCCC2)n1 ZINC000246850221 549227075 /nfs/dbraw/zinc/22/70/75/549227075.db2.gz CIUMQRBCYHHPLM-HOTGVXAUSA-N 0 3 356.470 2.016 10 0 FEAEHN COCCOCc1cc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)ccc1F ZINC000246856122 549229013 /nfs/dbraw/zinc/22/90/13/549229013.db2.gz VHGFLCNVLSQDEN-YOEHRIQHSA-N 0 3 350.434 2.297 10 0 FEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)c1cnn(-c2ccccc2)c1 ZINC000246888473 549236459 /nfs/dbraw/zinc/23/64/59/549236459.db2.gz GLRRALOHBVISON-AEFFLSMTSA-N 0 3 352.438 2.140 10 0 FEAEHN CCOCCN1CCN(CCC(=O)Nc2ccccc2OCC)C[C@H]1C ZINC000246893728 549237622 /nfs/dbraw/zinc/23/76/22/549237622.db2.gz MCOUBXXAWQYCKD-QGZVFWFLSA-N 0 3 363.502 2.457 10 0 FEAEHN CN(C)C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CCO1 ZINC000246962918 549252664 /nfs/dbraw/zinc/25/26/64/549252664.db2.gz JWRVCOFLISGMID-PMPSAXMXSA-N 0 3 367.287 2.342 10 0 FEAEHN Cc1nc(COc2ccccc2C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)no1 ZINC000247015806 549265136 /nfs/dbraw/zinc/26/51/36/549265136.db2.gz HGNLBXSDLROYSL-CJNGLKHVSA-N 0 3 358.442 2.416 10 0 FEAEHN O=C1[C@@H](N2CCN3CCC[C@H]3C2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000247026524 549268165 /nfs/dbraw/zinc/26/81/65/549268165.db2.gz QVXGVQGUIAKLAX-HOCLYGCPSA-N 0 3 369.387 2.471 10 0 FEAEHN CC[C@H]1CCCCN1CCNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000247287527 549312317 /nfs/dbraw/zinc/31/23/17/549312317.db2.gz DSXBHCBDSBBAGX-HOTGVXAUSA-N 0 3 362.522 2.280 10 0 FEAEHN CC(C)[C@H](NC(=O)c1cccs1)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000247326923 549318878 /nfs/dbraw/zinc/31/88/78/549318878.db2.gz MTLWOAXPGRKODJ-YCPHGPKFSA-N 0 3 351.516 2.347 10 0 FEAEHN COc1ccccc1N1CCN(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)CC1 ZINC000247356420 549323752 /nfs/dbraw/zinc/32/37/52/549323752.db2.gz OGUUNIPVQZQIMR-DLBZAZTESA-N 0 3 360.502 2.256 10 0 FEAEHN CC[C@@H]1CN(C[C@@H](O)COc2c(C)ccc(C)c2C)CCN1CCOC ZINC000247609366 549365906 /nfs/dbraw/zinc/36/59/06/549365906.db2.gz MDWVHQXFCIEOHM-WOJBJXKFSA-N 0 3 364.530 2.394 10 0 FEAEHN Cc1ccc(OC[C@@H](O)CN(C)[C@H]2CCCN(c3cccnn3)C2)c(C)c1 ZINC000247609114 549365980 /nfs/dbraw/zinc/36/59/80/549365980.db2.gz MCHBGKZZUKZFQV-OALUTQOASA-N 0 3 370.497 2.434 10 0 FEAEHN O[C@@H](COc1cccc(Br)c1)CN1CCN2CCCC[C@H]2C1 ZINC000248344022 549420455 /nfs/dbraw/zinc/42/04/55/549420455.db2.gz LATQGIMCHPBVIM-JKSUJKDBSA-N 0 3 369.303 2.359 10 0 FEAEHN Cc1ccc(Cl)c(OC[C@H](O)CN2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000248599949 549465994 /nfs/dbraw/zinc/46/59/94/549465994.db2.gz UTLOJKKMBDPXRU-JZXOWHBKSA-N 0 3 368.905 2.041 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000248631514 549471238 /nfs/dbraw/zinc/47/12/38/549471238.db2.gz ZZPMLAPHQHQGNX-ZFWWWQNUSA-N 0 3 357.483 2.459 10 0 FEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000248677294 549483347 /nfs/dbraw/zinc/48/33/47/549483347.db2.gz KMFBYRLCAVKNRY-STQMWFEESA-N 0 3 362.499 2.046 10 0 FEAEHN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000249035333 549541874 /nfs/dbraw/zinc/54/18/74/549541874.db2.gz MOSWBVFZGXHFHZ-QWHCGFSZSA-N 0 3 354.413 2.038 10 0 FEAEHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000249128507 549556745 /nfs/dbraw/zinc/55/67/45/549556745.db2.gz CSHZVFPVDCJIBT-ROUUACIJSA-N 0 3 364.511 2.052 10 0 FEAEHN CCCCOc1ccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2CC)cn1 ZINC000249223774 549570712 /nfs/dbraw/zinc/57/07/12/549570712.db2.gz URRDUPUUIXGTPO-IAGOWNOFSA-N 0 3 374.485 2.284 10 0 FEAEHN CCCCOc1cccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1 ZINC000249228967 549570789 /nfs/dbraw/zinc/57/07/89/549570789.db2.gz VIJQTNDEYSIFPR-WBVHZDCISA-N 0 3 359.470 2.499 10 0 FEAEHN O=C1[C@H](N2CCN3CCC[C@H]3C2)CCN1c1cccc(Br)c1 ZINC000249316240 549580625 /nfs/dbraw/zinc/58/06/25/549580625.db2.gz PMWXFFVDQQUMHO-JKSUJKDBSA-N 0 3 364.287 2.334 10 0 FEAEHN C[C@@H]1CN(S(=O)(=O)c2ccc(Br)s2)C[C@H]1N(C)C ZINC000251907320 549658262 /nfs/dbraw/zinc/65/82/62/549658262.db2.gz WXNFIJPHYBWUAO-RKDXNWHRSA-N 0 3 353.307 2.081 10 0 FEAEHN Cc1ccc(C)c(OC[C@H](O)CN2CCC[C@@H](Cn3cncn3)C2)c1C ZINC000252352851 549663636 /nfs/dbraw/zinc/66/36/36/549663636.db2.gz OFKIOAZCPJEJQI-RTBURBONSA-N 0 3 358.486 2.355 10 0 FEAEHN COc1ccccc1CCC(=O)N1CCC[C@@H]1c1nncn1CCN(C)C ZINC000257180234 549712893 /nfs/dbraw/zinc/71/28/93/549712893.db2.gz DIZNDAYWWRURSE-QGZVFWFLSA-N 0 3 371.485 2.145 10 0 FEAEHN COC[C@H](N)C(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000262314357 549809386 /nfs/dbraw/zinc/80/93/86/549809386.db2.gz DFFHINFVLXSYHI-FQEVSTJZSA-N 0 3 355.482 2.121 10 0 FEAEHN COc1ccc(-c2cncc(-c3nc([C@H]4CNCCN4C)no3)c2)cc1 ZINC000263218285 549886072 /nfs/dbraw/zinc/88/60/72/549886072.db2.gz LHERMMMHASBBIQ-QGZVFWFLSA-N 0 3 351.410 2.383 10 0 FEAEHN Cc1nn(C)c(C)c1[C@H]1[C@H](CNCc2cccc3c2OCO3)CC(=O)N1C ZINC000328619363 553797334 /nfs/dbraw/zinc/79/73/34/553797334.db2.gz FUPUKRPVNOZLLN-HNAYVOBHSA-N 0 3 370.453 2.075 10 0 FEAEHN C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374076004 557819080 /nfs/dbraw/zinc/81/90/80/557819080.db2.gz YVDNRUOLZLJMHD-CWVYHPPDSA-N 0 3 353.507 2.261 10 0 FEAEHN Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C[NH3+])sc1Br ZINC000094541467 670758031 /nfs/dbraw/zinc/75/80/31/670758031.db2.gz XWKJCIMFHZPKKZ-BDAKNGLRSA-N 0 3 353.307 2.225 10 0 FEAEHN CCOCCN1CCN(Cn2nc(C(C)C)n(C)c2=S)C[C@H]1CC ZINC000152622075 672184685 /nfs/dbraw/zinc/18/46/85/672184685.db2.gz LSDSXMRVOUQIJB-OAHLLOKOSA-N 0 3 355.552 2.465 10 0 FEAEHN NC1(C(=O)Nc2nnc(SCc3ccccc3)s2)CCOCC1 ZINC000261678476 672901420 /nfs/dbraw/zinc/90/14/20/672901420.db2.gz CLDKNSHYXRUNPO-UHFFFAOYSA-N 0 3 350.469 2.277 10 0 FEAEHN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNCc2cc(F)c(F)cc2F)C1 ZINC000705675458 673062234 /nfs/dbraw/zinc/06/22/34/673062234.db2.gz QRQMSTQPRXNAOD-ABAIWWIYSA-N 0 3 360.376 2.421 10 0 FEAEHN