smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCC1(CNC(=O)N[C@H]2CCN(CC3CC3)C2)CCCC1 ZINC000161108121 539589512 /nfs/dbraw/zinc/58/95/12/539589512.db2.gz CJRIFMGPTMPJCL-INIZCTEOSA-N 0 3 323.481 2.367 20 70 DEIDHN CN(Cc1cccc(OCC(F)(F)F)c1)CC(C)(CO)CO ZINC000159587079 186129164 /nfs/dbraw/zinc/12/91/64/186129164.db2.gz SGQYCUXARKDRFA-UHFFFAOYSA-N 0 3 321.339 2.050 20 70 DEIDHN CCC[C@H](N)C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000161040333 197458980 /nfs/dbraw/zinc/45/89/80/197458980.db2.gz DJLJGTKIALVKSU-JYJNAYRXSA-N 0 3 306.406 2.435 20 70 DEIDHN CCN1CCC(NC(=O)c2csc([C@H]3CCCO3)n2)CC1 ZINC000160338131 197401508 /nfs/dbraw/zinc/40/15/08/197401508.db2.gz ZQPUHTRCXIRDQA-CYBMUJFWSA-N 0 3 309.435 2.209 20 70 DEIDHN CC(=O)Nc1cccc([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)c1 ZINC000160296069 197398572 /nfs/dbraw/zinc/39/85/72/197398572.db2.gz BHJKOZXCIHRDBR-BDJLRTHQSA-N 0 3 313.405 2.211 20 70 DEIDHN CCC[C@@H](N[C@@H](C)COC)C(=O)N1CCc2sccc2C1 ZINC000160206763 197392663 /nfs/dbraw/zinc/39/26/63/197392663.db2.gz LISACHJIEPRHLC-GXTWGEPZSA-N 0 3 310.463 2.426 20 70 DEIDHN CSCC[C@@H](N)C(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000159593710 402326550 /nfs/dbraw/zinc/32/65/50/402326550.db2.gz XHMMIPSDVIABRM-TZMCWYRMSA-N 0 3 318.446 2.130 20 70 DEIDHN COC(=O)C[C@@H](NC(=O)[C@H](C)N)c1ccc(C(C)(C)C)cc1 ZINC000161431057 402387063 /nfs/dbraw/zinc/38/70/63/402387063.db2.gz KDKCVQTWVCKQRO-SMDDNHRTSA-N 0 3 306.406 2.052 20 70 DEIDHN CN(CCCN1CCN(C)CC1)C(=O)C1CCC(C)(C)CC1 ZINC000160523930 402349521 /nfs/dbraw/zinc/34/95/21/402349521.db2.gz DYQAYTAPBFJCBN-UHFFFAOYSA-N 0 3 309.498 2.299 20 70 DEIDHN CCN(C)CCNC(=O)c1c(C)nc(C2CC2)nc1SC ZINC000161059910 402371093 /nfs/dbraw/zinc/37/10/93/402371093.db2.gz KGMIIZCIPGSPJX-UHFFFAOYSA-N 0 3 308.451 2.066 20 70 DEIDHN CC(C)Oc1cncc(C(=O)NC2CCN(C3CC3)CC2)c1 ZINC000161231448 402378301 /nfs/dbraw/zinc/37/83/01/402378301.db2.gz JZPJOVGSTZUUHI-UHFFFAOYSA-N 0 3 303.406 2.225 20 70 DEIDHN Cc1nccn1CCCCN1CCN(c2cccc(O)c2)CC1 ZINC000161319922 402382747 /nfs/dbraw/zinc/38/27/47/402382747.db2.gz FXNUTSOOEWIWNE-UHFFFAOYSA-N 0 3 314.433 2.500 20 70 DEIDHN Cc1ncc(CN2CCC[C@H](c3nnc4n3CCC4)C2)s1 ZINC000161393136 402385719 /nfs/dbraw/zinc/38/57/19/402385719.db2.gz TWJLCBFUDAFNQO-LBPRGKRZSA-N 0 3 303.435 2.369 20 70 DEIDHN CCC(CC)(CNCC[S@](=O)c1ccccc1)C(=O)OC ZINC000159653908 402327783 /nfs/dbraw/zinc/32/77/83/402327783.db2.gz LBPWMYWGUDVTMY-OAQYLSRUSA-N 0 3 311.447 2.363 20 70 DEIDHN C[C@@H](CN1CCCCC1)NC(=O)CCCc1nc(C2CC2)no1 ZINC000159754098 402329756 /nfs/dbraw/zinc/32/97/56/402329756.db2.gz WVXSVKIICJRQOL-ZDUSSCGKSA-N 0 3 320.437 2.260 20 70 DEIDHN Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000159801463 402330988 /nfs/dbraw/zinc/33/09/88/402330988.db2.gz RRMJAIMETUBKJV-RISCZKNCSA-N 0 3 308.426 2.036 20 70 DEIDHN CCN1CCCN(C(=O)NC[C@H]2CCc3ccccc32)CC1 ZINC000159845679 402332147 /nfs/dbraw/zinc/33/21/47/402332147.db2.gz YCOIQCQWSGGEIY-MRXNPFEDSA-N 0 3 301.434 2.454 20 70 DEIDHN CCC(CC)(CNCC(=O)N1CCc2ccccc21)C(=O)OC ZINC000159661079 275955148 /nfs/dbraw/zinc/95/51/48/275955148.db2.gz AHIKUMFHJYSIRK-UHFFFAOYSA-N 0 3 318.417 2.145 20 70 DEIDHN CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCCN(CCC)CC1 ZINC000160368411 519863857 /nfs/dbraw/zinc/86/38/57/519863857.db2.gz PCHFQDLQJNYKFX-MRXNPFEDSA-N 0 3 323.481 2.112 20 70 DEIDHN CCOCc1ccc(CNC(=O)N2CCCN(CC)CC2)cc1 ZINC000159617613 520188892 /nfs/dbraw/zinc/18/88/92/520188892.db2.gz VZVLPXRUTGMZEZ-UHFFFAOYSA-N 0 3 319.449 2.460 20 70 DEIDHN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)CNC[C@H]1CCCO1 ZINC000159444837 524691942 /nfs/dbraw/zinc/69/19/42/524691942.db2.gz DHKKSRIWINIDAH-CZUORRHYSA-N 0 3 324.852 2.498 20 70 DEIDHN C[C@@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1ccco1 ZINC000161258297 525534402 /nfs/dbraw/zinc/53/44/02/525534402.db2.gz QPDGESMXJSKEKC-CQSZACIVSA-N 0 3 315.417 2.422 20 70 DEIDHN CSC[C@H](CCO)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000160408759 525699394 /nfs/dbraw/zinc/69/93/94/525699394.db2.gz NGRNAZIDIXHDJV-OCCSQVGLSA-N 0 3 306.435 2.032 20 70 DEIDHN COCCN(C)CCCNC(=O)Nc1ccnc(C)c1Cl ZINC000159441697 539581711 /nfs/dbraw/zinc/58/17/11/539581711.db2.gz MMOOZUXWLYXGQH-UHFFFAOYSA-N 0 3 314.817 2.133 20 70 DEIDHN CCN(C(=O)CN1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000161303876 539589865 /nfs/dbraw/zinc/58/98/65/539589865.db2.gz GRJGTTSLBBMLQL-UHFFFAOYSA-N 0 3 324.428 2.257 20 70 DEIDHN CNC(=O)CCNCc1ccc(Br)c2cccnc12 ZINC000160320761 539585684 /nfs/dbraw/zinc/58/56/84/539585684.db2.gz SDFGKTUSMJUYII-UHFFFAOYSA-N 0 3 322.206 2.223 20 70 DEIDHN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H]2CCCSC2)c1 ZINC000159597485 186129837 /nfs/dbraw/zinc/12/98/37/186129837.db2.gz BNACSXSNQRFQDJ-YPMHNXCESA-N 0 3 314.476 2.141 20 70 DEIDHN CCN1CCCN(C(=O)NCc2ccc(COC)cc2)CC1 ZINC000159616947 186130699 /nfs/dbraw/zinc/13/06/99/186130699.db2.gz ZCIBKQOZOAROEB-UHFFFAOYSA-N 0 3 305.422 2.070 20 70 DEIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc2c(s1)CCCC2 ZINC000160194812 197392172 /nfs/dbraw/zinc/39/21/72/197392172.db2.gz RXIRLJWMMBXQIC-CQSZACIVSA-N 0 3 322.474 2.204 20 70 DEIDHN Cc1c(O)ccc2c(CN3CCCC[C@@H]3CO)cc(=O)oc12 ZINC000159930219 197374609 /nfs/dbraw/zinc/37/46/09/197374609.db2.gz BBOJIVRRMIAFEK-CYBMUJFWSA-N 0 3 303.358 2.154 20 70 DEIDHN CN1CCC(NC(=O)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000159854056 197368760 /nfs/dbraw/zinc/36/87/60/197368760.db2.gz FYLVBZXLEYCKMP-UHFFFAOYSA-N 0 3 316.323 2.338 20 70 DEIDHN CCN1CCCN(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000159776012 197363769 /nfs/dbraw/zinc/36/37/69/197363769.db2.gz HSAWEVGFRACYHO-CVEARBPZSA-N 0 3 305.397 2.419 20 70 DEIDHN CN(Cc1ccc(OCC(F)(F)F)cc1)CC(C)(CO)CO ZINC000159564613 197361606 /nfs/dbraw/zinc/36/16/06/197361606.db2.gz PSUYGCJLGRDTNX-UHFFFAOYSA-N 0 3 321.339 2.050 20 70 DEIDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(-n3ccnc3)cc1)CC2 ZINC000160484835 402347785 /nfs/dbraw/zinc/34/77/85/402347785.db2.gz OTNRUEDIBNVWFN-BBRMVZONSA-N 0 3 322.416 2.438 20 70 DEIDHN CCc1cc(C(=O)NCC2CCN(CCO)CC2)sc1C ZINC000160601568 402352881 /nfs/dbraw/zinc/35/28/81/402352881.db2.gz UYEWRCXFNMOACB-UHFFFAOYSA-N 0 3 310.463 2.053 20 70 DEIDHN COc1ccc2c(c1)CCC[C@@H]2NCC(=O)NCC(F)(F)F ZINC000160605854 402354000 /nfs/dbraw/zinc/35/40/00/402354000.db2.gz CMASVJVVMJBPOX-ZDUSSCGKSA-N 0 3 316.323 2.341 20 70 DEIDHN CC[C@H](O)CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000160630471 402354515 /nfs/dbraw/zinc/35/45/15/402354515.db2.gz NWCSMYRXVYKTFM-IRXDYDNUSA-N 0 3 319.449 2.284 20 70 DEIDHN CCN(CCNC(=O)Nc1ccn(CC(F)(F)F)n1)C1CC1 ZINC000160801409 402361336 /nfs/dbraw/zinc/36/13/36/402361336.db2.gz LBVCVSCVUYPORR-UHFFFAOYSA-N 0 3 319.331 2.051 20 70 DEIDHN CCN(C)CCNC(=O)c1c(C)nc(C(C)C)nc1SC ZINC000161059773 402370797 /nfs/dbraw/zinc/37/07/97/402370797.db2.gz XRNBMKQLKGPOLQ-UHFFFAOYSA-N 0 3 310.467 2.312 20 70 DEIDHN CC[C@H](C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1)N(C)C ZINC000161374100 402385097 /nfs/dbraw/zinc/38/50/97/402385097.db2.gz CVLIVVXTIYGERB-OAHLLOKOSA-N 0 3 300.406 2.375 20 70 DEIDHN CCOCCCN1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000160037899 402335414 /nfs/dbraw/zinc/33/54/14/402335414.db2.gz MVQXRKAVMLMDPB-HNNXBMFYSA-N 0 3 320.433 2.410 20 70 DEIDHN CN(C)C[C@H](O)COc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000160120968 402336752 /nfs/dbraw/zinc/33/67/52/402336752.db2.gz RKAYWNUDOGTPNR-ZDUSSCGKSA-N 0 3 310.394 2.335 20 70 DEIDHN CS[C@H]1CCC[C@H](NC(=O)C2(N)Cc3ccccc3C2)C1 ZINC000159571210 278161837 /nfs/dbraw/zinc/16/18/37/278161837.db2.gz WCKBNIBNGHSIQY-GJZGRUSLSA-N 0 3 304.459 2.273 20 70 DEIDHN CCN1CCCN(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)CC1 ZINC000159950716 279285400 /nfs/dbraw/zinc/28/54/00/279285400.db2.gz GBMALENYLNCNDC-JKSUJKDBSA-N 0 3 311.470 2.175 20 70 DEIDHN CCCOc1ccc(CNC(=O)N2CCCN(CC)CC2)cn1 ZINC000159834495 520357591 /nfs/dbraw/zinc/35/75/91/520357591.db2.gz MTWDNVSAOIZQOX-UHFFFAOYSA-N 0 3 320.437 2.108 20 70 DEIDHN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)CCC2CCCC2)C1 ZINC000160227971 521101547 /nfs/dbraw/zinc/10/15/47/521101547.db2.gz GLJVVCCGTJDMLI-MRXNPFEDSA-N 0 3 324.465 2.300 20 70 DEIDHN CCC(=O)c1cccc(NC(=O)CCN2CCN(CC)CC2)c1 ZINC000160743801 521252731 /nfs/dbraw/zinc/25/27/31/521252731.db2.gz OUTWUGROSHRWJD-UHFFFAOYSA-N 0 3 317.433 2.245 20 70 DEIDHN CCN1CCCN(C(=O)NCCCN(C)c2ccccc2)CC1 ZINC000159538138 521608744 /nfs/dbraw/zinc/60/87/44/521608744.db2.gz QFYBBOCICOROOO-UHFFFAOYSA-N 0 3 318.465 2.250 20 70 DEIDHN COCCN(C)CCN[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000159401872 523612415 /nfs/dbraw/zinc/61/24/15/523612415.db2.gz PKLJFYXHVKUBFY-MRXNPFEDSA-N 0 3 316.449 2.160 20 70 DEIDHN C[C@H](CCO)NC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000159873531 524213064 /nfs/dbraw/zinc/21/30/64/524213064.db2.gz PJNBMRLRRHKLCH-KGLIPLIRSA-N 0 3 307.438 2.186 20 70 DEIDHN CC(C)Oc1cncc(C(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000161330672 539591267 /nfs/dbraw/zinc/59/12/67/539591267.db2.gz WDAKAXISZPIDIM-OAHLLOKOSA-N 0 3 303.406 2.179 20 70 DEIDHN CCCC(O)(CCC)CNC(=O)NC[C@H]1CCCCN1CC ZINC000159623359 355962034 /nfs/dbraw/zinc/96/20/34/355962034.db2.gz DMEDCEOFMJTZLJ-OAHLLOKOSA-N 0 3 313.486 2.491 20 70 DEIDHN CCOc1ncccc1CNC(=O)c1ccc(CN(C)C)cc1 ZINC000159653325 291657247 /nfs/dbraw/zinc/65/72/47/291657247.db2.gz OHXBIIJWVLSXMH-UHFFFAOYSA-N 0 3 313.401 2.472 20 70 DEIDHN CN(C)[C@H](CNC(=O)CN(C)CCC1CC1)c1ccccc1 ZINC000159426601 402323370 /nfs/dbraw/zinc/32/33/70/402323370.db2.gz ALSVJHNEWYTJNP-QGZVFWFLSA-N 0 3 303.450 2.137 20 70 DEIDHN CSCC[C@H](N)C(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000159494737 402324612 /nfs/dbraw/zinc/32/46/12/402324612.db2.gz IPLFBKUJNMMGIG-RNCFNFMXSA-N 0 3 302.390 2.265 20 70 DEIDHN Cn1nccc1CNCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000218213689 402294653 /nfs/dbraw/zinc/29/46/53/402294653.db2.gz CZFBSOPGDQMMCA-UHFFFAOYSA-N 0 3 308.426 2.157 20 70 DEIDHN COc1cccc2c1CC[C@H]2NC(=O)NCCN1CCCCC1 ZINC000160277802 402340099 /nfs/dbraw/zinc/34/00/99/402340099.db2.gz KZWDHBSNQLHHLP-MRXNPFEDSA-N 0 3 317.433 2.468 20 70 DEIDHN Cc1nc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)sc1C ZINC000160385397 402343522 /nfs/dbraw/zinc/34/35/22/402343522.db2.gz QGMVCCITFXNOCN-ZIBATOQPSA-N 0 3 309.435 2.231 20 70 DEIDHN CCO[C@@H]1C[C@H](N(C)C(=O)NC2CCN(CC)CC2)C12CCC2 ZINC000160753016 402359532 /nfs/dbraw/zinc/35/95/32/402359532.db2.gz RCCSWWVHLYRUIL-JKSUJKDBSA-N 0 3 323.481 2.460 20 70 DEIDHN COc1cc(N(C)C(=O)[C@@H](N)CC(C)C)cc(OC)c1OC ZINC000160853496 402362876 /nfs/dbraw/zinc/36/28/76/402362876.db2.gz MRCIINYWWWBTMD-LBPRGKRZSA-N 0 3 310.394 2.049 20 70 DEIDHN CCC(CC)(CNCC(=O)NC1CCC(C)CC1)C(=O)OC ZINC000159679929 402328601 /nfs/dbraw/zinc/32/86/01/402328601.db2.gz UONCKHLVCZRQKE-UHFFFAOYSA-N 0 3 312.454 2.250 20 70 DEIDHN CC(C)Oc1cc(CNC(=O)NC[C@H]2CCCN(C)C2)ccn1 ZINC000159802323 402330792 /nfs/dbraw/zinc/33/07/92/402330792.db2.gz ALURMELQYVMMIX-OAHLLOKOSA-N 0 3 320.437 2.010 20 70 DEIDHN CCCCN(C)CCNC(=O)NC[C@@H](C)c1c(C)noc1C ZINC000159836803 402331496 /nfs/dbraw/zinc/33/14/96/402331496.db2.gz GUEULERFOHTUDB-GFCCVEGCSA-N 0 3 310.442 2.426 20 70 DEIDHN Cc1ccc(C(=O)CCN2CCC[C@H]2CN2CCOCC2)cc1 ZINC000159833142 402331602 /nfs/dbraw/zinc/33/16/02/402331602.db2.gz KVTJNGBKVGGOOV-SFHVURJKSA-N 0 3 316.445 2.364 20 70 DEIDHN CCN1CCCN(C(=O)NCCc2sc(C)nc2C)CC1 ZINC000159836269 402331724 /nfs/dbraw/zinc/33/17/24/402331724.db2.gz IBDRDAGMXLHLNQ-UHFFFAOYSA-N 0 3 310.467 2.040 20 70 DEIDHN COCCCN(C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000159985413 402335168 /nfs/dbraw/zinc/33/51/68/402335168.db2.gz UIWUWCBNOKXPCP-WBVHZDCISA-N 0 3 319.449 2.327 20 70 DEIDHN CCN(C)CCNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000159589760 276070077 /nfs/dbraw/zinc/07/00/77/276070077.db2.gz RRVFGDCQCFMDFB-HOTGVXAUSA-N 0 3 305.422 2.158 20 70 DEIDHN CSCC[C@H](N)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000161394146 278132651 /nfs/dbraw/zinc/13/26/51/278132651.db2.gz WRWRFTMBTRRYMY-STQMWFEESA-N 0 3 308.447 2.485 20 70 DEIDHN CC(C)N(CCN(C)C)C(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000159366878 279431300 /nfs/dbraw/zinc/43/13/00/279431300.db2.gz QEZUMQIIBHPCGD-JKSUJKDBSA-N 0 3 321.469 2.348 20 70 DEIDHN CC(C)CN(CCN(C)C)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160360455 519715869 /nfs/dbraw/zinc/71/58/69/519715869.db2.gz FCURBNXEDGUSII-JKSUJKDBSA-N 0 3 311.470 2.173 20 70 DEIDHN CC[C@H](CNC(=O)[C@@H](C)N)Cc1cccc(Br)c1 ZINC000161224045 522182754 /nfs/dbraw/zinc/18/27/54/522182754.db2.gz WNJXOOUEAIIRRS-MNOVXSKESA-N 0 3 313.239 2.481 20 70 DEIDHN CN1CCC[C@@H]1CNC(=O)NCCOc1ccccc1Cl ZINC000159713326 523826988 /nfs/dbraw/zinc/82/69/88/523826988.db2.gz KFVNQRLWUAXONY-GFCCVEGCSA-N 0 3 311.813 2.112 20 70 DEIDHN CSCC[C@H](N)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160385000 525579382 /nfs/dbraw/zinc/57/93/82/525579382.db2.gz SUMQOSOTYDSKIT-HIFRSBDPSA-N 0 3 310.438 2.297 20 70 DEIDHN Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000159863090 526573562 /nfs/dbraw/zinc/57/35/62/526573562.db2.gz RQUZATFTVLBMDU-GHMZBOCLSA-N 0 3 308.426 2.177 20 70 DEIDHN CCN1CCCN(C(=O)NCCc2ccc(Cl)nc2)CC1 ZINC000159989002 197378940 /nfs/dbraw/zinc/37/89/40/197378940.db2.gz CDEQJJYEMAAJGR-UHFFFAOYSA-N 0 3 310.829 2.015 20 70 DEIDHN CN(CCCNC(=O)N1CCC[C@](C)(O)C1)Cc1ccccc1 ZINC000159950929 197376184 /nfs/dbraw/zinc/37/61/84/197376184.db2.gz GFDZEJRAKCLKKM-SFHVURJKSA-N 0 3 319.449 2.065 20 70 DEIDHN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)CN)cc1 ZINC000161032088 291671776 /nfs/dbraw/zinc/67/17/76/291671776.db2.gz INTMBSAGGQUKPK-CVEARBPZSA-N 0 3 306.406 2.240 20 70 DEIDHN COC[C@H](NC(=O)N(CCN(C)C)C(C)C)c1ccc(C)o1 ZINC000159374291 197348419 /nfs/dbraw/zinc/34/84/19/197348419.db2.gz SQFLDBWZQYPIFE-AWEZNQCLSA-N 0 3 311.426 2.257 20 70 DEIDHN CCn1nc(C)c([C@H](C)N[C@H]2CCc3nc(C)nn3C2)c1C ZINC000160515937 402348840 /nfs/dbraw/zinc/34/88/40/402348840.db2.gz NQMNYGRJPWSYCX-HZMBPMFUSA-N 0 3 302.426 2.085 20 70 DEIDHN CCC(CC)c1cc(C(=O)NC[C@@H](O)CN2CCCCC2)on1 ZINC000160504893 402348889 /nfs/dbraw/zinc/34/88/89/402348889.db2.gz TZBPSJGRJSIJJO-CQSZACIVSA-N 0 3 323.437 2.155 20 70 DEIDHN CN(C)Cc1ccc(CNC(=O)N[C@@H](CCO)C(C)(C)C)cc1 ZINC000161433826 402387783 /nfs/dbraw/zinc/38/77/83/402387783.db2.gz RLFSRLGGWRYJPK-INIZCTEOSA-N 0 3 321.465 2.345 20 70 DEIDHN COc1ccc(NC(=O)[C@H](C)N)cc1NC(=O)C1CCCCC1 ZINC000160920030 402366146 /nfs/dbraw/zinc/36/61/46/402366146.db2.gz FSPHNTILHUOYPJ-NSHDSACASA-N 0 3 319.405 2.500 20 70 DEIDHN C[C@@H](C(=O)N[C@@H]1CCN(c2ccccn2)C1)N1CCCCCC1 ZINC000161357965 402384751 /nfs/dbraw/zinc/38/47/51/402384751.db2.gz HLLNKROKOCFZDD-JKSUJKDBSA-N 0 3 316.449 2.041 20 70 DEIDHN CCN1CCCN(C(=O)NCc2cccc3cccnc32)CC1 ZINC000159777324 402330354 /nfs/dbraw/zinc/33/03/54/402330354.db2.gz CMUONQBKHQUWCK-UHFFFAOYSA-N 0 3 312.417 2.472 20 70 DEIDHN C[C@@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@@H]1C ZINC000160194821 402337397 /nfs/dbraw/zinc/33/73/97/402337397.db2.gz GNMVTEGLMSSITK-RYRKJORJSA-N 0 3 317.477 2.383 20 70 DEIDHN Cc1c([C@@H](C)NC2CCN(C)CC2)nnn1-c1ccc(F)cc1 ZINC000161485839 402389482 /nfs/dbraw/zinc/38/94/82/402389482.db2.gz YGPLGUNDBHAFRF-GFCCVEGCSA-N 0 3 317.412 2.460 20 70 DEIDHN CSCC[C@@H](N)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000161397572 278131412 /nfs/dbraw/zinc/13/14/12/278131412.db2.gz WRWRFTMBTRRYMY-CHWSQXEVSA-N 0 3 308.447 2.485 20 70 DEIDHN CCN1CCCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000159518894 521608450 /nfs/dbraw/zinc/60/84/50/521608450.db2.gz VSDJSXNWDKJXSR-QGZVFWFLSA-N 0 3 318.465 2.027 20 70 DEIDHN CN(C)[C@H](CNC(=O)c1cnc2c(c1)ncn2C)c1ccccc1 ZINC000159674885 522084268 /nfs/dbraw/zinc/08/42/68/522084268.db2.gz BNMGNSUJOBMFEY-MRXNPFEDSA-N 0 3 323.400 2.001 20 70 DEIDHN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CNC[C@@H]1CCCO1 ZINC000159444427 524889850 /nfs/dbraw/zinc/88/98/50/524889850.db2.gz DHKKSRIWINIDAH-BBRMVZONSA-N 0 3 324.852 2.498 20 70 DEIDHN CSCC[C@@H](N)C(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000160973281 525546356 /nfs/dbraw/zinc/54/63/56/525546356.db2.gz OGIIBEAWMQPSGI-CABCVRRESA-N 0 3 324.490 2.214 20 70 DEIDHN C[C@@H](N[C@H](CCO)c1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000160931341 539588230 /nfs/dbraw/zinc/58/82/30/539588230.db2.gz BKIHDKCXMOYXGA-RDTXWAMCSA-N 0 3 323.400 2.437 20 70 DEIDHN CCc1c(C(=O)NC2CCN(C3CC3)CC2)cnn1CC(C)C ZINC000161295497 539589988 /nfs/dbraw/zinc/58/99/88/539589988.db2.gz IJXMATGRTSIZQC-UHFFFAOYSA-N 0 3 318.465 2.458 20 70 DEIDHN C[C@H](C(=O)NC1CCCCC1)N1CCN(c2ccncc2)CC1 ZINC000161333578 539591076 /nfs/dbraw/zinc/59/10/76/539591076.db2.gz GUKAYHVTBNENLX-OAHLLOKOSA-N 0 3 316.449 2.041 20 70 DEIDHN CN1CCC[C@@H](CNC(=O)N2CCc3cccc(F)c3C2)C1 ZINC000159787661 355961908 /nfs/dbraw/zinc/96/19/08/355961908.db2.gz JLPRHJZGZXWTBV-ZDUSSCGKSA-N 0 3 305.397 2.235 20 70 DEIDHN C[C@@H](CC(=O)NC[C@H](O)CN1CCCCC1)c1cccc(F)c1 ZINC000160514534 197417690 /nfs/dbraw/zinc/41/76/90/197417690.db2.gz ZZEMEFVSUJMEMB-YOEHRIQHSA-N 0 3 322.424 2.282 20 70 DEIDHN CC(=O)Nc1cccc([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)c1 ZINC000160296188 197398405 /nfs/dbraw/zinc/39/84/05/197398405.db2.gz BHJKOZXCIHRDBR-BZNIZROVSA-N 0 3 313.405 2.211 20 70 DEIDHN C[C@H](CC(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1 ZINC000160080720 197384426 /nfs/dbraw/zinc/38/44/26/197384426.db2.gz HLVIQEQGPGJSLF-NVXWUHKLSA-N 0 3 304.434 2.143 20 70 DEIDHN CCc1nn(C)c(Cl)c1C(=O)NCCN1CCCCCC1 ZINC000160002182 197379504 /nfs/dbraw/zinc/37/95/04/197379504.db2.gz NLNLCJJEUNMKMV-UHFFFAOYSA-N 0 3 312.845 2.242 20 70 DEIDHN C[C@H]1C[C@H](NC(=O)N2CCSCC2)CN1Cc1ccccc1 ZINC000159845740 197367949 /nfs/dbraw/zinc/36/79/49/197367949.db2.gz XRYTVXDQYGRAOD-HOCLYGCPSA-N 0 3 319.474 2.408 20 70 DEIDHN C[C@H]1CCCN1C(=O)CCN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161499567 291675665 /nfs/dbraw/zinc/67/56/65/291675665.db2.gz HEJDMOLAJDWOAT-SMDDNHRTSA-N 0 3 322.371 2.023 20 70 DEIDHN O=C(CNC[C@@H]1CCCO1)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000159447662 197354106 /nfs/dbraw/zinc/35/41/06/197354106.db2.gz LJALSEIQRHEYBB-SQNIBIBYSA-N 0 3 316.445 2.283 20 70 DEIDHN CCN(CCCN1CCCCC1)[C@H](C)CS(=O)(=O)CC ZINC000161358281 284897070 /nfs/dbraw/zinc/89/70/70/284897070.db2.gz UURKWXRZFKLMFU-OAHLLOKOSA-N 0 3 304.500 2.008 20 70 DEIDHN O=C(C[C@H]1CNCCO1)N1CC2(CCCC2)c2ccccc21 ZINC000159369129 402322408 /nfs/dbraw/zinc/32/24/08/402322408.db2.gz PWDFKECHQCLMNZ-AWEZNQCLSA-N 0 3 300.402 2.224 20 70 DEIDHN CSCC[C@@H](N)C(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000159494353 402324754 /nfs/dbraw/zinc/32/47/54/402324754.db2.gz IPLFBKUJNMMGIG-TVQRCGJNSA-N 0 3 302.390 2.265 20 70 DEIDHN COc1ccc(OC)c([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)c1 ZINC000160326910 402340859 /nfs/dbraw/zinc/34/08/59/402340859.db2.gz BWEPIEKYYFBSEE-DGCLKSJQSA-N 0 3 316.405 2.269 20 70 DEIDHN CCc1c(C(=O)NC[C@@H]2CCCN2CC)cnn1CC(C)C ZINC000160331926 402341050 /nfs/dbraw/zinc/34/10/50/402341050.db2.gz FOXOGUZXTNWROD-AWEZNQCLSA-N 0 3 306.454 2.316 20 70 DEIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc2c(c1)CCCC2 ZINC000160479086 402346990 /nfs/dbraw/zinc/34/69/90/402346990.db2.gz YVTVMZDGMPHQOP-GOSISDBHSA-N 0 3 316.445 2.142 20 70 DEIDHN CC(C)(C)c1ccc(C(=O)NCC2CCN(CCO)CC2)cc1 ZINC000160662473 402356030 /nfs/dbraw/zinc/35/60/30/402356030.db2.gz WQTLMPJPELMYHM-UHFFFAOYSA-N 0 3 318.461 2.418 20 70 DEIDHN CCOC(=O)CCN(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000160707976 402358153 /nfs/dbraw/zinc/35/81/53/402358153.db2.gz KAMFZXFDNJKCEF-CYBMUJFWSA-N 0 3 302.378 2.213 20 70 DEIDHN Cc1ccccc1OC[C@H](O)CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160778671 402360251 /nfs/dbraw/zinc/36/02/51/402360251.db2.gz GMZPRHOAVPIWQV-ZHALLVOQSA-N 0 3 319.445 2.362 20 70 DEIDHN Cc1ccc(C(=O)CCN(C)CCCN2CCN(C)CC2)cc1 ZINC000161195036 402377202 /nfs/dbraw/zinc/37/72/02/402377202.db2.gz YQUWPCBDVGNHQZ-UHFFFAOYSA-N 0 3 317.477 2.137 20 70 DEIDHN Cc1ccc(F)c(OCC(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000161341845 402383545 /nfs/dbraw/zinc/38/35/45/402383545.db2.gz XDJQIDVMJWQKCC-CQSZACIVSA-N 0 3 306.381 2.210 20 70 DEIDHN CCN1CCCN(C(=O)NCCOc2cc(C)cc(C)c2)CC1 ZINC000159742811 402329687 /nfs/dbraw/zinc/32/96/87/402329687.db2.gz MSTLPSNOZZZWEA-UHFFFAOYSA-N 0 3 319.449 2.419 20 70 DEIDHN Cc1ccc(NCCCNC(=O)c2cccc3nc[nH]c32)nc1 ZINC000159795664 402331037 /nfs/dbraw/zinc/33/10/37/402331037.db2.gz YLJDSSPFFQPRLH-UHFFFAOYSA-N 0 3 309.373 2.498 20 70 DEIDHN COc1cc(CNC(=O)N(CCN(C)C)C2CCCC2)ccn1 ZINC000159877595 402332774 /nfs/dbraw/zinc/33/27/74/402332774.db2.gz AUEUSSOPYFICBU-UHFFFAOYSA-N 0 3 320.437 2.106 20 70 DEIDHN C[C@H](N[C@@H]1CCCN(c2ccccc2F)C1=O)[C@H]1CCOC1 ZINC000160202674 402338178 /nfs/dbraw/zinc/33/81/78/402338178.db2.gz HUSKGZVCFXMTBH-KCQAQPDRSA-N 0 3 306.381 2.336 20 70 DEIDHN C[C@@H]1CCCN1C(=O)CCN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161499473 402389874 /nfs/dbraw/zinc/38/98/74/402389874.db2.gz HEJDMOLAJDWOAT-BXUZGUMPSA-N 0 3 322.371 2.023 20 70 DEIDHN CC(C)[C@H](C(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1 ZINC000160206650 519809508 /nfs/dbraw/zinc/80/95/08/519809508.db2.gz OADVHFWVMPCKQG-MSOLQXFVSA-N 0 3 318.461 2.389 20 70 DEIDHN CCCOc1ncccc1CNC(=O)N1CCCN(CC)CC1 ZINC000159759011 520499400 /nfs/dbraw/zinc/49/94/00/520499400.db2.gz DGWXYZCIFJXJGU-UHFFFAOYSA-N 0 3 320.437 2.108 20 70 DEIDHN CN(C)[C@@H](CNC(=O)N[C@@H](CCO)C(C)(C)C)c1ccccc1 ZINC000161183018 282176110 /nfs/dbraw/zinc/17/61/10/282176110.db2.gz UDWMSDVLHLQTHB-HOTGVXAUSA-N 0 3 321.465 2.386 20 70 DEIDHN C[C@@H](N)C(=O)NC[C@H](C)Sc1ccc(Br)cc1 ZINC000159654174 186133734 /nfs/dbraw/zinc/13/37/34/186133734.db2.gz WBTTZYXPDCCOLA-DTWKUNHWSA-N 0 3 317.252 2.393 20 70 DEIDHN CCc1cccc(CC(=O)NC2CCN(CCOC)CC2)c1 ZINC000161350515 291674541 /nfs/dbraw/zinc/67/45/41/291674541.db2.gz BAOMKVSRJZPIKC-UHFFFAOYSA-N 0 3 304.434 2.019 20 70 DEIDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N(Cc1cccnc1)C1CC1 ZINC000160709347 355965236 /nfs/dbraw/zinc/96/52/36/355965236.db2.gz LENIBWUIUZQPKF-MRXNPFEDSA-N 0 3 314.433 2.240 20 70 DEIDHN CCCO[C@@H]1CCCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000160731099 355966650 /nfs/dbraw/zinc/96/66/50/355966650.db2.gz IXRWHUNSYWORGQ-DLBZAZTESA-N 0 3 323.481 2.461 20 70 DEIDHN O=C(CC/C=C/c1ccccc1)NC[C@@H](O)CN1CCCCC1 ZINC000160178847 197391406 /nfs/dbraw/zinc/39/14/06/197391406.db2.gz DFKVDPXYPRPRBK-HNDWGLKSSA-N 0 3 316.445 2.443 20 70 DEIDHN CCCN(CCCNC(C)=O)[C@H](C)C(=O)Nc1ccccc1 ZINC000159987251 197377696 /nfs/dbraw/zinc/37/76/96/197377696.db2.gz JLOSTDOBILTUSD-CQSZACIVSA-N 0 3 305.422 2.252 20 70 DEIDHN C[C@H]1C[C@@H](NC(=O)Nc2cnn(C)c2)CN1Cc1ccccc1 ZINC000159881929 197370581 /nfs/dbraw/zinc/37/05/81/197370581.db2.gz MUJMPNLPHSIWPM-DZGCQCFKSA-N 0 3 313.405 2.205 20 70 DEIDHN O=C(CNC[C@@H]1CCCO1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000159447915 197354622 /nfs/dbraw/zinc/35/46/22/197354622.db2.gz LJALSEIQRHEYBB-FGTMMUONSA-N 0 3 316.445 2.283 20 70 DEIDHN CCc1c(C(=O)NC[C@H]2CCCN2CC)cnn1CC(C)C ZINC000160332044 402340934 /nfs/dbraw/zinc/34/09/34/402340934.db2.gz FOXOGUZXTNWROD-CQSZACIVSA-N 0 3 306.454 2.316 20 70 DEIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1coc2ccccc12 ZINC000160343808 402341385 /nfs/dbraw/zinc/34/13/85/402341385.db2.gz BXEANEXHTBKOOC-CYBMUJFWSA-N 0 3 302.374 2.009 20 70 DEIDHN O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000160389103 402343441 /nfs/dbraw/zinc/34/34/41/402343441.db2.gz MZSZLAGWUUXXFY-ZBFHGGJFSA-N 0 3 318.392 2.389 20 70 DEIDHN CN(C)CCN(C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)C1CCCC1 ZINC000160442224 402345877 /nfs/dbraw/zinc/34/58/77/402345877.db2.gz ABUXOTDJQOCOBV-WBVHZDCISA-N 0 3 323.481 2.460 20 70 DEIDHN COc1ccc([C@H](C)[C@@H](C)NCC(=O)NCC(F)(F)F)cc1 ZINC000160586566 402352524 /nfs/dbraw/zinc/35/25/24/402352524.db2.gz YZENRXCMZLLDKX-GHMZBOCLSA-N 0 3 318.339 2.455 20 70 DEIDHN Cc1nnc(CNC(C)(C)CN(C)Cc2ccccc2)n1C ZINC000161052173 402370760 /nfs/dbraw/zinc/37/07/60/402370760.db2.gz QSTFUGOEBWYNIQ-UHFFFAOYSA-N 0 3 301.438 2.124 20 70 DEIDHN CCN(C)[C@@H](C(=O)N[C@@H](C)Cc1cc(C)[nH]n1)c1ccccc1 ZINC000161153849 402375425 /nfs/dbraw/zinc/37/54/25/402375425.db2.gz HPAXYMFAVVMEFO-SUMWQHHRSA-N 0 3 314.433 2.458 20 70 DEIDHN CN(C)[C@H](CNC(=O)N[C@H](CCO)C(C)(C)C)c1ccccc1 ZINC000161183138 402376796 /nfs/dbraw/zinc/37/67/96/402376796.db2.gz UDWMSDVLHLQTHB-HZPDHXFCSA-N 0 3 321.465 2.386 20 70 DEIDHN Cc1ncc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)s1 ZINC000161393280 402385669 /nfs/dbraw/zinc/38/56/69/402385669.db2.gz TWJLCBFUDAFNQO-GFCCVEGCSA-N 0 3 303.435 2.369 20 70 DEIDHN Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@H]1CCCN(C)C1 ZINC000159801736 402331250 /nfs/dbraw/zinc/33/12/50/402331250.db2.gz RRMJAIMETUBKJV-BXUZGUMPSA-N 0 3 308.426 2.036 20 70 DEIDHN CCN1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000161502843 402389928 /nfs/dbraw/zinc/38/99/28/402389928.db2.gz LINPAUHBDMFGIK-LZWOXQAQSA-N 0 3 317.433 2.335 20 70 DEIDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc[nH]c1=O ZINC000161502916 402390026 /nfs/dbraw/zinc/39/00/26/402390026.db2.gz LYNLTDMGJIJUJE-UHFFFAOYSA-N 0 3 317.364 2.130 20 70 DEIDHN C[C@]1(c2ccccc2)CN(C(=O)[C@@H](N)Cc2ccccc2)CCO1 ZINC000159646540 274654595 /nfs/dbraw/zinc/65/45/95/274654595.db2.gz OAYWAIQPXGCHLL-AZUAARDMSA-N 0 3 324.424 2.331 20 70 DEIDHN CC(C)N(CCN(C)C)C(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000159366594 279431056 /nfs/dbraw/zinc/43/10/56/279431056.db2.gz QEZUMQIIBHPCGD-HOTGVXAUSA-N 0 3 321.469 2.348 20 70 DEIDHN CC(C)[C@@H](C(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1 ZINC000160206752 519789180 /nfs/dbraw/zinc/78/91/80/519789180.db2.gz OADVHFWVMPCKQG-QZTJIDSGSA-N 0 3 318.461 2.389 20 70 DEIDHN CCN1CCCN(C(=O)NCCCOc2ccc(F)cc2)CC1 ZINC000159778944 521608685 /nfs/dbraw/zinc/60/86/85/521608685.db2.gz RRZMGOJQRWSYPE-UHFFFAOYSA-N 0 3 323.412 2.332 20 70 DEIDHN CC[C@@H](CNC(=O)[C@H](C)N)Cc1cccc(Br)c1 ZINC000161223636 522540546 /nfs/dbraw/zinc/54/05/46/522540546.db2.gz WNJXOOUEAIIRRS-WDEREUQCSA-N 0 3 313.239 2.481 20 70 DEIDHN Cc1cc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)ncn1 ZINC000161457483 539591827 /nfs/dbraw/zinc/59/18/27/539591827.db2.gz HMFMUSPFSAFUHA-KRWDZBQOSA-N 0 3 310.401 2.352 20 70 DEIDHN CC(=O)Nc1cccc([C@H](C)N[C@H]2CCc3nc(C)nn3C2)c1 ZINC000160295935 197398219 /nfs/dbraw/zinc/39/82/19/197398219.db2.gz BHJKOZXCIHRDBR-ZBEGNZNMSA-N 0 3 313.405 2.211 20 70 DEIDHN CSC[C@@H](CCO)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000160262311 291664599 /nfs/dbraw/zinc/66/45/99/291664599.db2.gz JCULFYSCXLOXLU-GXTWGEPZSA-N 0 3 324.446 2.408 20 70 DEIDHN COC[C@@H](NC(=O)N(CCN(C)C)C(C)C)c1ccc(C)o1 ZINC000159374149 197348142 /nfs/dbraw/zinc/34/81/42/197348142.db2.gz SQFLDBWZQYPIFE-CQSZACIVSA-N 0 3 311.426 2.257 20 70 DEIDHN Cc1cccc([C@@H](C)C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160316526 402340612 /nfs/dbraw/zinc/34/06/12/402340612.db2.gz UDAVWOOIDAVEAG-NVXWUHKLSA-N 0 3 304.434 2.062 20 70 DEIDHN O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000160389229 402343573 /nfs/dbraw/zinc/34/35/73/402343573.db2.gz MZSZLAGWUUXXFY-HOCLYGCPSA-N 0 3 318.392 2.389 20 70 DEIDHN CCn1nc(C)c([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)c1C ZINC000160515776 402348647 /nfs/dbraw/zinc/34/86/47/402348647.db2.gz NQMNYGRJPWSYCX-YGRLFVJLSA-N 0 3 302.426 2.085 20 70 DEIDHN CSCC[C@@H](N)C(=O)NCc1ccccc1OC1CCC1 ZINC000161200241 402377336 /nfs/dbraw/zinc/37/73/36/402377336.db2.gz JFKOTITYVSOQCG-CQSZACIVSA-N 0 3 308.447 2.315 20 70 DEIDHN COCc1nc2n(n1)C[C@H](Nc1ccnc3ccccc31)CC2 ZINC000161341312 402383224 /nfs/dbraw/zinc/38/32/24/402383224.db2.gz AAXUAPDLANWLED-GFCCVEGCSA-N 0 3 309.373 2.400 20 70 DEIDHN C[C@H](CN1CCCCC1)NC(=O)CCCc1nc(C2CC2)no1 ZINC000159754227 402330260 /nfs/dbraw/zinc/33/02/60/402330260.db2.gz WVXSVKIICJRQOL-CYBMUJFWSA-N 0 3 320.437 2.260 20 70 DEIDHN Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@H]1CCCN(C)C1 ZINC000159801576 402331217 /nfs/dbraw/zinc/33/12/17/402331217.db2.gz RRMJAIMETUBKJV-SMDDNHRTSA-N 0 3 308.426 2.036 20 70 DEIDHN CCCCOC(=O)CCN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161402736 402386449 /nfs/dbraw/zinc/38/64/49/402386449.db2.gz IFGUECBCQIYCGT-AWEZNQCLSA-N 0 3 320.437 2.137 20 70 DEIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccncc1C(N)=O ZINC000160218357 402338578 /nfs/dbraw/zinc/33/85/78/402338578.db2.gz FMYOOLAOJVBXSI-GUYCJALGSA-N 0 3 310.401 2.113 20 70 DEIDHN CCOCCCN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000160232342 402338597 /nfs/dbraw/zinc/33/85/97/402338597.db2.gz WJNWKZIDMZBOER-HNNXBMFYSA-N 0 3 309.385 2.448 20 70 DEIDHN Cc1nc2n(n1)C[C@H](N[C@H]1CCCc3nc(C)sc31)CC2 ZINC000160504937 279144132 /nfs/dbraw/zinc/14/41/32/279144132.db2.gz KIZXUJOPGICERG-YPMHNXCESA-N 0 3 303.435 2.333 20 70 DEIDHN CCC[C@@H]1CN(C(=O)NCc2cccc(CN(C)C)c2)CCO1 ZINC000159665310 520833163 /nfs/dbraw/zinc/83/31/63/520833163.db2.gz WTOKBIIVXUGOHX-QGZVFWFLSA-N 0 3 319.449 2.459 20 70 DEIDHN COCCCN(C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000159985732 523206989 /nfs/dbraw/zinc/20/69/89/523206989.db2.gz UIWUWCBNOKXPCP-NVXWUHKLSA-N 0 3 319.449 2.327 20 70 DEIDHN C[C@@H]1OCCN(C(=O)NCc2cccc(CN(C)C)c2)[C@H]1C ZINC000159900962 525562702 /nfs/dbraw/zinc/56/27/02/525562702.db2.gz ZMBHFJICVKNSLW-KBPBESRZSA-N 0 3 305.422 2.067 20 70 DEIDHN C[C@@H]1[C@H](C)OCCN1C(=O)NCc1cccc(CN(C)C)c1 ZINC000159900840 525687532 /nfs/dbraw/zinc/68/75/32/525687532.db2.gz ZMBHFJICVKNSLW-KGLIPLIRSA-N 0 3 305.422 2.067 20 70 DEIDHN O=C(CNC[C@H]1CCCO1)Nc1ccc(F)cc1OCC1CC1 ZINC000160678373 526882477 /nfs/dbraw/zinc/88/24/77/526882477.db2.gz MMXGWXZIYXIBLR-CQSZACIVSA-N 0 3 322.380 2.322 20 70 DEIDHN COc1ccc(OCCN2CCN(c3ccncc3)CC2)cc1 ZINC000161324269 539591025 /nfs/dbraw/zinc/59/10/25/539591025.db2.gz HHKQPGLECGNOGO-UHFFFAOYSA-N 0 3 313.401 2.291 20 70 DEIDHN CC[C@H](C(=O)NCCOc1ncc(Cl)cc1Cl)N(C)C ZINC000160744586 355966743 /nfs/dbraw/zinc/96/67/43/355966743.db2.gz YEDASTOAXYKWSF-LLVKDONJSA-N 0 3 320.220 2.224 20 70 DEIDHN CCn1nc(C)c([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)c1C ZINC000160515515 197417804 /nfs/dbraw/zinc/41/78/04/197417804.db2.gz NQMNYGRJPWSYCX-QMTHXVAHSA-N 0 3 302.426 2.085 20 70 DEIDHN C[C@H]1C[C@@H](NC(=O)N2CCSCC2)CN1Cc1ccccc1 ZINC000159845989 197368366 /nfs/dbraw/zinc/36/83/66/197368366.db2.gz XRYTVXDQYGRAOD-GOEBONIOSA-N 0 3 319.474 2.408 20 70 DEIDHN CCc1ccc(/C=C/C(=O)Nc2ccn(CCN(C)C)n2)o1 ZINC000159549642 291656196 /nfs/dbraw/zinc/65/61/96/291656196.db2.gz YGFDSUJIDIYFAN-BQYQJAHWSA-N 0 3 302.378 2.252 20 70 DEIDHN COCc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccccc1C)CC2 ZINC000159793953 197364251 /nfs/dbraw/zinc/36/42/51/197364251.db2.gz WTORTJBYAQAYKS-KBPBESRZSA-N 0 3 300.406 2.399 20 70 DEIDHN CCN1CCCN(C(=O)NCc2cc3ccccc3[nH]2)CC1 ZINC000159779438 197363736 /nfs/dbraw/zinc/36/37/36/197363736.db2.gz XLEIJFMZRJGABV-UHFFFAOYSA-N 0 3 300.406 2.405 20 70 DEIDHN O=C(CNCC1CC1)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000159422188 197352030 /nfs/dbraw/zinc/35/20/30/197352030.db2.gz ZEMOEHVLNKCMQO-DLBZAZTESA-N 0 3 318.417 2.307 20 70 DEIDHN CCc1cccc2c(CCNC(=O)[C@@H](N)CCSC)c[nH]c21 ZINC000159373810 197348622 /nfs/dbraw/zinc/34/86/22/197348622.db2.gz JKSBPRJPEVWDJP-HNNXBMFYSA-N 0 3 319.474 2.469 20 70 DEIDHN Cc1ccc(N2CC[C@H](N3CC[C@H](N4CCCC4)C3)C2=O)cc1 ZINC000160338408 402341713 /nfs/dbraw/zinc/34/17/13/402341713.db2.gz AWEYKVWTBNUMDG-ROUUACIJSA-N 0 3 313.445 2.270 20 70 DEIDHN O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCN(C2CCCC2)CC1 ZINC000160406117 402344269 /nfs/dbraw/zinc/34/42/69/402344269.db2.gz AUBUMCAFSLFRFA-RDJZCZTQSA-N 0 3 321.465 2.214 20 70 DEIDHN CN(C)CCN(C(=O)N[C@H]1CCO[C@@H](C2CC2)C1)C1CCCC1 ZINC000160442583 402345943 /nfs/dbraw/zinc/34/59/43/402345943.db2.gz ABUXOTDJQOCOBV-DOTOQJQBSA-N 0 3 323.481 2.460 20 70 DEIDHN CCc1cc(C(=O)NC[C@H](O)CN2CCCCC2)sc1C ZINC000160502680 402348124 /nfs/dbraw/zinc/34/81/24/402348124.db2.gz WZZAIFSIKFODFB-AWEZNQCLSA-N 0 3 310.463 2.196 20 70 DEIDHN COc1ccc([C@@H](C)[C@H](C)NCC(=O)NCC(F)(F)F)cc1 ZINC000160586938 402352644 /nfs/dbraw/zinc/35/26/44/402352644.db2.gz YZENRXCMZLLDKX-QWRGUYRKSA-N 0 3 318.339 2.455 20 70 DEIDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(F)cc3[nH]cnc32)C1 ZINC000161313226 402381940 /nfs/dbraw/zinc/38/19/40/402381940.db2.gz BLKDINOYJZIKJN-YGRLFVJLSA-N 0 3 304.369 2.161 20 70 DEIDHN C[C@H]1CCN(C(=O)C[C@@H]2CNCCO2)[C@@H]1c1cccc(F)c1 ZINC000161486742 402389045 /nfs/dbraw/zinc/38/90/45/402389045.db2.gz MHUPYMONMCGRNY-MJEQTWJJSA-N 0 3 306.381 2.114 20 70 DEIDHN C[C@H]1CN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC[C@@H]1C ZINC000160194960 402337473 /nfs/dbraw/zinc/33/74/73/402337473.db2.gz GNMVTEGLMSSITK-BQFCYCMXSA-N 0 3 317.477 2.383 20 70 DEIDHN CCOCCN(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000159957308 519902898 /nfs/dbraw/zinc/90/28/98/519902898.db2.gz ACBSXNFOWNYYDS-DOTOQJQBSA-N 0 3 319.449 2.185 20 70 DEIDHN CCN1CCCN(C(=O)NC[C@H](C)Oc2ccccc2F)CC1 ZINC000159920877 521608587 /nfs/dbraw/zinc/60/85/87/521608587.db2.gz CZHCFVKUTZDUDK-AWEZNQCLSA-N 0 3 323.412 2.330 20 70 DEIDHN CCN1CCCN(C(=O)NCCCc2cccc(OC)c2)CC1 ZINC000159806944 521608853 /nfs/dbraw/zinc/60/88/53/521608853.db2.gz IDMNNLDUNNXHPU-UHFFFAOYSA-N 0 3 319.449 2.365 20 70 DEIDHN COc1cc(C)cc(CNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000159997983 522238470 /nfs/dbraw/zinc/23/84/70/522238470.db2.gz FFYRFSPSARQTKT-ZFWWWQNUSA-N 0 3 317.433 2.428 20 70 DEIDHN COCCN(C)CCCNC(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000161485998 523584860 /nfs/dbraw/zinc/58/48/60/523584860.db2.gz HIHVCLOWWLQVBV-KBPBESRZSA-N 0 3 310.463 2.245 20 70 DEIDHN O=C(CNC[C@@H]1CCCO1)Nc1ccc(F)cc1OCC1CC1 ZINC000160678239 526882575 /nfs/dbraw/zinc/88/25/75/526882575.db2.gz MMXGWXZIYXIBLR-AWEZNQCLSA-N 0 3 322.380 2.322 20 70 DEIDHN Cc1noc(Cl)c1CC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000161405642 291674661 /nfs/dbraw/zinc/67/46/61/291674661.db2.gz QDOAYZUZCLZBDN-NSHDSACASA-N 0 3 313.829 2.416 20 70 DEIDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC[C@H]1c1ccc[nH]1 ZINC000160741642 355966932 /nfs/dbraw/zinc/96/69/32/355966932.db2.gz HGOCJZAOKDJCHB-ZBFHGGJFSA-N 0 3 302.422 2.346 20 70 DEIDHN Clc1cc(N2CCN(C3CCOCC3)CC2)nc(C2CC2)n1 ZINC000160307285 197398790 /nfs/dbraw/zinc/39/87/90/197398790.db2.gz YJCDKUXKDYPZFK-UHFFFAOYSA-N 0 3 322.840 2.308 20 70 DEIDHN Cc1[nH]c(=O)ccc1C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000160227712 197393748 /nfs/dbraw/zinc/39/37/48/197393748.db2.gz XTZCRWSJIRMMLD-UHFFFAOYSA-N 0 3 315.373 2.288 20 70 DEIDHN CCN(CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)N(C)C ZINC000160000578 197379179 /nfs/dbraw/zinc/37/91/79/197379179.db2.gz BNQVOGVXGHZUFE-OAHLLOKOSA-N 0 3 318.465 2.097 20 70 DEIDHN CCS(=O)(=O)c1ccc([C@@H](C)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000159513474 197359357 /nfs/dbraw/zinc/35/93/57/197359357.db2.gz FLDJLUXUHNNYNZ-KCXAZCMYSA-N 0 3 311.447 2.434 20 70 DEIDHN O=C(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)[C@@H]1CCCCN1 ZINC000159420979 197352703 /nfs/dbraw/zinc/35/27/03/197352703.db2.gz XGDNSKQKDFBURG-BBWFWOEESA-N 0 3 318.417 2.450 20 70 DEIDHN CCC(CC)c1cc(C(=O)NCC2CCN(CCO)CC2)on1 ZINC000160707356 402357850 /nfs/dbraw/zinc/35/78/50/402357850.db2.gz GSMMYGBIAQAWKN-UHFFFAOYSA-N 0 3 323.437 2.012 20 70 DEIDHN CCNC(=O)N1CCc2ccc(NC(=O)[C@H](N)[C@H](C)CC)cc21 ZINC000160774868 402360066 /nfs/dbraw/zinc/36/00/66/402360066.db2.gz CAFVNHAVMCJFNQ-IAQYHMDHSA-N 0 3 318.421 2.091 20 70 DEIDHN COC(CN1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C)OC ZINC000160831958 402361980 /nfs/dbraw/zinc/36/19/80/402361980.db2.gz UMQIMQFLDWGXJR-CHWSQXEVSA-N 0 3 316.442 2.373 20 70 DEIDHN Cc1cccc(O[C@@H](C)CNC(=O)C2(N)Cc3ccccc3C2)c1 ZINC000161165215 402376171 /nfs/dbraw/zinc/37/61/71/402376171.db2.gz UWQRAJDVWJREPR-HNNXBMFYSA-N 0 3 324.424 2.375 20 70 DEIDHN CCN1CCCN(C(=O)NC[C@H](C)Oc2ccc(F)cc2)CC1 ZINC000159921342 402333405 /nfs/dbraw/zinc/33/34/05/402333405.db2.gz PEKJBHHMERQJQP-AWEZNQCLSA-N 0 3 323.412 2.330 20 70 DEIDHN CC[C@@H](C)N(C)CCN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000160146820 402336724 /nfs/dbraw/zinc/33/67/24/402336724.db2.gz MTYGCJDLGULPBA-KGLIPLIRSA-N 0 3 312.479 2.471 20 70 DEIDHN CCCN(CCO)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000160214039 402337991 /nfs/dbraw/zinc/33/79/91/402337991.db2.gz UZCZFCUOGVYKCR-RDJZCZTQSA-N 0 3 319.449 2.063 20 70 DEIDHN C[C@H](N[C@@H]1CCCN(c2ccccc2F)C1=O)[C@@H]1CCOC1 ZINC000160202434 267454562 /nfs/dbraw/zinc/45/45/62/267454562.db2.gz HUSKGZVCFXMTBH-GZBFAFLISA-N 0 3 306.381 2.336 20 70 DEIDHN CCN1CCCN(C(=O)NCCCc2ccc(OC)cc2)CC1 ZINC000159726389 521608518 /nfs/dbraw/zinc/60/85/18/521608518.db2.gz DHUJVHFNABWTNQ-UHFFFAOYSA-N 0 3 319.449 2.365 20 70 DEIDHN CCN1CCCN(C(=O)N[C@@H](C)COc2cccc(C)c2)CC1 ZINC000159732541 521610218 /nfs/dbraw/zinc/61/02/18/521610218.db2.gz APLFDEJJHMKJQJ-INIZCTEOSA-N 0 3 319.449 2.500 20 70 DEIDHN CN(C)[C@@H]1CCN(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000160354557 522053568 /nfs/dbraw/zinc/05/35/68/522053568.db2.gz PKJRSORSLDBBBZ-GDBMZVCRSA-N 0 3 319.405 2.022 20 70 DEIDHN CCc1ccc(C(C)(C)CNC(=O)CNC[C@H]2CCCO2)cc1 ZINC000160868308 523900956 /nfs/dbraw/zinc/90/09/56/523900956.db2.gz HNNXYUPVIOYCFX-QGZVFWFLSA-N 0 3 318.461 2.411 20 70 DEIDHN CCc1ccc([C@H](CNC(=O)NCC[C@H](O)CC)N(C)C)cc1 ZINC000160745069 524048918 /nfs/dbraw/zinc/04/89/18/524048918.db2.gz ZXWJBPSPPOWXJJ-SJORKVTESA-N 0 3 321.465 2.312 20 70 DEIDHN CC(C)Oc1cncc(C(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000161330565 539591279 /nfs/dbraw/zinc/59/12/79/539591279.db2.gz WDAKAXISZPIDIM-HNNXBMFYSA-N 0 3 303.406 2.179 20 70 DEIDHN CCN1CCCN(C(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000159572198 186127909 /nfs/dbraw/zinc/12/79/09/186127909.db2.gz CHVQJHQHWXODNC-UHFFFAOYSA-N 0 3 301.434 2.455 20 70 DEIDHN C[C@H](N)C(=O)NC[C@H](C)Sc1ccc(Br)cc1 ZINC000159653245 186133151 /nfs/dbraw/zinc/13/31/51/186133151.db2.gz WBTTZYXPDCCOLA-IUCAKERBSA-N 0 3 317.252 2.393 20 70 DEIDHN CCN1CCCN(C(=O)NCCc2c(F)cccc2F)CC1 ZINC000159704158 186136163 /nfs/dbraw/zinc/13/61/63/186136163.db2.gz LIURGWVGCVIKBJ-UHFFFAOYSA-N 0 3 311.376 2.245 20 70 DEIDHN CCC[C@H](N)C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159746608 186139222 /nfs/dbraw/zinc/13/92/22/186139222.db2.gz GGOJZYNJVUGMCF-GXTWGEPZSA-N 0 3 323.824 2.031 20 70 DEIDHN CCS(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000160008197 197379636 /nfs/dbraw/zinc/37/96/36/197379636.db2.gz HYJWYFOIFPWSPV-GDBMZVCRSA-N 0 3 310.463 2.321 20 70 DEIDHN CC[C@@H](C(=O)N1CCC(N(C)c2ccccc2)CC1)N(C)C ZINC000159957243 197376355 /nfs/dbraw/zinc/37/63/55/197376355.db2.gz CZESAZHPAGGCKU-KRWDZBQOSA-N 0 3 303.450 2.454 20 70 DEIDHN C[C@@H]1C[C@H](NC(=O)Nc2cnn(C)c2)CN1Cc1ccccc1 ZINC000159881493 197371136 /nfs/dbraw/zinc/37/11/36/197371136.db2.gz MUJMPNLPHSIWPM-HIFRSBDPSA-N 0 3 313.405 2.205 20 70 DEIDHN Fc1ccc(CN2CCCN(CCn3ccnc3)CC2)cc1 ZINC000159709931 197361330 /nfs/dbraw/zinc/36/13/30/197361330.db2.gz KXLMNTHKXCZCBA-UHFFFAOYSA-N 0 3 302.397 2.230 20 70 DEIDHN CCN1CCCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000159518730 197359564 /nfs/dbraw/zinc/35/95/64/197359564.db2.gz VSDJSXNWDKJXSR-KRWDZBQOSA-N 0 3 318.465 2.027 20 70 DEIDHN Cc1ccsc1CN1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000159436374 197353425 /nfs/dbraw/zinc/35/34/25/197353425.db2.gz SKDBETUWUBAYGI-CYBMUJFWSA-N 0 3 316.492 2.350 20 70 DEIDHN CC(C)OCCCN(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000160351590 402342226 /nfs/dbraw/zinc/34/22/26/402342226.db2.gz RDEOPOHSOZCWSC-CYBMUJFWSA-N 0 3 314.451 2.142 20 70 DEIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc2ccccc2c1 ZINC000160462597 402346378 /nfs/dbraw/zinc/34/63/78/402346378.db2.gz LDTPBSAFSUPPAN-GOSISDBHSA-N 0 3 312.413 2.416 20 70 DEIDHN CCOC(=O)CCc1ccc(NC(=O)[C@H]2CCCCN2)cc1 ZINC000160490324 402347337 /nfs/dbraw/zinc/34/73/37/402347337.db2.gz MEEXAMFSBUOORW-OAHLLOKOSA-N 0 3 304.390 2.263 20 70 DEIDHN CN(C)Cc1ccc(C(=O)NCCNC(=O)OC(C)(C)C)cc1 ZINC000161432496 402387229 /nfs/dbraw/zinc/38/72/29/402387229.db2.gz UAGHTXLYSMMEJI-UHFFFAOYSA-N 0 3 321.421 2.003 20 70 DEIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000160530422 402349390 /nfs/dbraw/zinc/34/93/90/402349390.db2.gz GNJLUQRMZOORQO-UWVGGRQHSA-N 0 3 311.348 2.131 20 70 DEIDHN CCCN1CCCN(C(=O)c2cnn(CC(C)C)c2C)CC1 ZINC000160557704 402351117 /nfs/dbraw/zinc/35/11/17/402351117.db2.gz MEKHUJZRROPAPV-UHFFFAOYSA-N 0 3 306.454 2.405 20 70 DEIDHN CCC[C@@H](C(=O)NCC1CCN(CCO)CC1)c1ccccc1 ZINC000160720674 402358403 /nfs/dbraw/zinc/35/84/03/402358403.db2.gz NUUZPJYMMKVRPE-GOSISDBHSA-N 0 3 318.461 2.391 20 70 DEIDHN C[C@@H]1C[C@@H](NCC(=O)Nc2ccc(Cl)cc2)CN1C1CC1 ZINC000161111550 402373388 /nfs/dbraw/zinc/37/33/88/402373388.db2.gz QYIAIFVQBHWEIR-BXUZGUMPSA-N 0 3 307.825 2.493 20 70 DEIDHN CN(C)Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1 ZINC000161231817 402378263 /nfs/dbraw/zinc/37/82/63/402378263.db2.gz UQDPYCRTXRBAAI-QGZVFWFLSA-N 0 3 324.428 2.152 20 70 DEIDHN CCN1CCCN(C(=O)NCCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000159642704 402327777 /nfs/dbraw/zinc/32/77/77/402327777.db2.gz AMNTYUVLSNBZDE-HOTGVXAUSA-N 0 3 311.470 2.319 20 70 DEIDHN CC(C)c1ccsc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160140552 275757861 /nfs/dbraw/zinc/75/78/61/275757861.db2.gz CFJXLPUZAAFSMC-CYBMUJFWSA-N 0 3 310.463 2.448 20 70 DEIDHN CCC(CC)(CNCC(=O)NCc1ccccc1F)C(=O)OC ZINC000159658706 521438973 /nfs/dbraw/zinc/43/89/73/521438973.db2.gz CTBYJONIWZYHBE-UHFFFAOYSA-N 0 3 324.396 2.011 20 70 DEIDHN CC[C@H]1CCCCN1CCNC(=O)NCCc1ccncc1C ZINC000161389608 523022496 /nfs/dbraw/zinc/02/24/96/523022496.db2.gz QEYVYQZUOFXWNV-KRWDZBQOSA-N 0 3 318.465 2.496 20 70 DEIDHN C[C@@H](C(=O)NCCCOC1CCOCC1)[C@H](N)c1ccccc1 ZINC000160941332 524183818 /nfs/dbraw/zinc/18/38/18/524183818.db2.gz WDAQBEJDJAYFJX-PBHICJAKSA-N 0 3 320.433 2.024 20 70 DEIDHN C[C@H](CCO)NC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000159873825 524212167 /nfs/dbraw/zinc/21/21/67/524212167.db2.gz PJNBMRLRRHKLCH-ZIAGYGMSSA-N 0 3 307.438 2.186 20 70 DEIDHN Cc1cccc(C)c1NC(=O)CN1CCN(c2ccncc2)CC1 ZINC000161292662 539589966 /nfs/dbraw/zinc/58/99/66/539589966.db2.gz XWWMAYAZFHXKCZ-UHFFFAOYSA-N 0 3 324.428 2.459 20 70 DEIDHN Cc1ccc(NC(=O)CN2CCN(c3ccncc3)CC2)cc1C ZINC000161291529 539589982 /nfs/dbraw/zinc/58/99/82/539589982.db2.gz QDRRBAFXWQJRPS-UHFFFAOYSA-N 0 3 324.428 2.459 20 70 DEIDHN CCC(CC)(CNCC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000159658135 186133375 /nfs/dbraw/zinc/13/33/75/186133375.db2.gz NAGFKFFPFMCULJ-OKILXGFUSA-N 0 3 312.454 2.345 20 70 DEIDHN COC(=O)c1csc(NC(=O)NCCN2CCCCC2)c1 ZINC000160840928 355966790 /nfs/dbraw/zinc/96/67/90/355966790.db2.gz RIAXEJDINAQGJX-UHFFFAOYSA-N 0 3 311.407 2.142 20 70 DEIDHN CCN1CCCN(C(=O)NCc2ccc(C)cc2OC)CC1 ZINC000159975669 197377953 /nfs/dbraw/zinc/37/79/53/197377953.db2.gz NDMXSEPRKGEJOO-UHFFFAOYSA-N 0 3 305.422 2.241 20 70 DEIDHN CCn1ccnc1CNC[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC000217804783 402293896 /nfs/dbraw/zinc/29/38/96/402293896.db2.gz KKIPEKGVSDCENM-ZDUSSCGKSA-N 0 3 310.442 2.496 20 70 DEIDHN COC(=O)C[C@H](NC(=O)[C@H](C)N)c1ccc(C(C)(C)C)cc1 ZINC000161430926 402387088 /nfs/dbraw/zinc/38/70/88/402387088.db2.gz KDKCVQTWVCKQRO-FZMZJTMJSA-N 0 3 306.406 2.052 20 70 DEIDHN CCc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)sc1C ZINC000160502799 402348310 /nfs/dbraw/zinc/34/83/10/402348310.db2.gz WZZAIFSIKFODFB-CQSZACIVSA-N 0 3 310.463 2.196 20 70 DEIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000160530322 402349173 /nfs/dbraw/zinc/34/91/73/402349173.db2.gz GNJLUQRMZOORQO-ZJUUUORDSA-N 0 3 311.348 2.131 20 70 DEIDHN Cc1cc(C(=O)NC[C@H](O)CN2CCCCC2)c(C)n1C1CC1 ZINC000160643689 402355115 /nfs/dbraw/zinc/35/51/15/402355115.db2.gz YAYYHTBEBYZXAD-INIZCTEOSA-N 0 3 319.449 2.016 20 70 DEIDHN CN1CCC(N(Cc2ccco2)C(=O)[C@H]2CCCCO2)CC1 ZINC000160703375 402357204 /nfs/dbraw/zinc/35/72/04/402357204.db2.gz BITFFJVDOYHCHE-MRXNPFEDSA-N 0 3 306.406 2.272 20 70 DEIDHN CSCC[C@H](N)C(=O)Nc1ccc(-c2nccc(C)n2)cc1 ZINC000160879206 402364061 /nfs/dbraw/zinc/36/40/61/402364061.db2.gz HERMUPPNSGBGJJ-AWEZNQCLSA-N 0 3 316.430 2.471 20 70 DEIDHN CCc1nc(-c2ccccc2NC(=O)C2CCN(C)CC2)n[nH]1 ZINC000161130288 402373923 /nfs/dbraw/zinc/37/39/23/402373923.db2.gz UWFCXXNJISZYFS-UHFFFAOYSA-N 0 3 313.405 2.314 20 70 DEIDHN Cc1cc(C[C@H](C)NC(=O)c2cccc(CN(C)C)c2)[nH]n1 ZINC000161139532 402374592 /nfs/dbraw/zinc/37/45/92/402374592.db2.gz SFOFZGQJXQUBHT-LBPRGKRZSA-N 0 3 300.406 2.141 20 70 DEIDHN Cc1ccccc1O[C@H](C)CNC(=O)C1(N)Cc2ccccc2C1 ZINC000161170578 402376116 /nfs/dbraw/zinc/37/61/16/402376116.db2.gz TZQSAOCRJLVNMT-OAHLLOKOSA-N 0 3 324.424 2.375 20 70 DEIDHN CN(C)Cc1ccc(C(=O)N[C@H]2CCN(c3ccccn3)C2)cc1 ZINC000161231883 402378163 /nfs/dbraw/zinc/37/81/63/402378163.db2.gz UQDPYCRTXRBAAI-KRWDZBQOSA-N 0 3 324.428 2.152 20 70 DEIDHN CCC[C@@H](C(=O)NC[C@@H](c1ccccc1OC)N(C)C)N(C)C ZINC000161243792 402378753 /nfs/dbraw/zinc/37/87/53/402378753.db2.gz NIBCFJASEVKGEU-HOTGVXAUSA-N 0 3 321.465 2.144 20 70 DEIDHN C[C@H]1CCN(C(=O)C[C@@H]2CNCCO2)[C@H]1c1cccc(F)c1 ZINC000161486974 402389080 /nfs/dbraw/zinc/38/90/80/402389080.db2.gz MHUPYMONMCGRNY-XGWLTEMNSA-N 0 3 306.381 2.114 20 70 DEIDHN CC1CCN(CCNC(=O)CCCc2nc(C3CC3)no2)CC1 ZINC000159878361 402332530 /nfs/dbraw/zinc/33/25/30/402332530.db2.gz QAJSSKPKUZIBLW-UHFFFAOYSA-N 0 3 320.437 2.118 20 70 DEIDHN CCN1CCCN(C(=O)N[C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000159930300 402333520 /nfs/dbraw/zinc/33/35/20/402333520.db2.gz CBJSHVPLQJMCGP-GFCCVEGCSA-N 0 3 323.441 2.165 20 70 DEIDHN CCN1CCCN(C(=O)N[C@@H](COC)c2ccc(C)o2)CC1 ZINC000159939052 402334518 /nfs/dbraw/zinc/33/45/18/402334518.db2.gz VJCXZZMQOOYGQV-AWEZNQCLSA-N 0 3 309.410 2.013 20 70 DEIDHN CN(C)[C@H](CNC(=O)N[C@@H](CCO)C(C)(C)C)c1ccccc1 ZINC000161183262 522076937 /nfs/dbraw/zinc/07/69/37/522076937.db2.gz UDWMSDVLHLQTHB-CVEARBPZSA-N 0 3 321.465 2.386 20 70 DEIDHN CN1CCC(NC(=O)NCCOc2ccccc2Cl)CC1 ZINC000159567308 523773604 /nfs/dbraw/zinc/77/36/04/523773604.db2.gz LGAXDOVMIHFGOS-UHFFFAOYSA-N 0 3 311.813 2.112 20 70 DEIDHN CNC(=O)CC1CCN(CCC(=O)c2ccc(C)cc2)CC1 ZINC000159944601 524055239 /nfs/dbraw/zinc/05/52/39/524055239.db2.gz AQFDTWBFDIXGOS-UHFFFAOYSA-N 0 3 302.418 2.416 20 70 DEIDHN C[C@H]1CCCN(CCNC(=O)[C@H](O)c2ccccc2Cl)C1 ZINC000159543062 524091070 /nfs/dbraw/zinc/09/10/70/524091070.db2.gz WEDXPQYKSJUJHT-SWLSCSKDSA-N 0 3 310.825 2.222 20 70 DEIDHN C[C@H](CN1CCCCC1)NC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000160265991 524330274 /nfs/dbraw/zinc/33/02/74/524330274.db2.gz FFYMIGWXNXPHEX-CYBMUJFWSA-N 0 3 313.405 2.076 20 70 DEIDHN CC(C)Cc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000159998893 539584902 /nfs/dbraw/zinc/58/49/02/539584902.db2.gz XIAHARREJQBMNJ-GOSISDBHSA-N 0 3 318.461 2.462 20 70 DEIDHN CCc1ccccc1NC(=O)CN1CCN(c2ccncc2)CC1 ZINC000161345181 539591420 /nfs/dbraw/zinc/59/14/20/539591420.db2.gz YYHOBFKWLKKHRR-UHFFFAOYSA-N 0 3 324.428 2.405 20 70 DEIDHN CCC(CC)(CNCC(=O)N(C)c1ccccc1)C(=O)OC ZINC000159670507 186134126 /nfs/dbraw/zinc/13/41/26/186134126.db2.gz UPHKRXWGRRMIAB-UHFFFAOYSA-N 0 3 306.406 2.218 20 70 DEIDHN CC(C)N(CCN(C)C)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000159758056 186140089 /nfs/dbraw/zinc/14/00/89/186140089.db2.gz FRJBHVXTUNJZMC-HNNXBMFYSA-N 0 3 311.470 2.460 20 70 DEIDHN O=C(N[C@H]1CCN(CC2CC2)C1)N(Cc1cccnc1)C1CC1 ZINC000160709490 355965057 /nfs/dbraw/zinc/96/50/57/355965057.db2.gz LENIBWUIUZQPKF-INIZCTEOSA-N 0 3 314.433 2.240 20 70 DEIDHN C/C(=C/C(=O)NC[C@@H](O)CN1CCCCC1)c1cccc(F)c1 ZINC000160563867 197422470 /nfs/dbraw/zinc/42/24/70/197422470.db2.gz LXTCBYFGIYXUAP-OOXMNIKJSA-N 0 3 320.408 2.192 20 70 DEIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(F)cc1Cl ZINC000160255232 197396076 /nfs/dbraw/zinc/39/60/76/197396076.db2.gz MBSLWILSCIUGSG-GFCCVEGCSA-N 0 3 314.788 2.056 20 70 DEIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc2ccccc2o1 ZINC000160005475 197379433 /nfs/dbraw/zinc/37/94/33/197379433.db2.gz MBXOVLOBWYACEG-CQSZACIVSA-N 0 3 302.374 2.009 20 70 DEIDHN Cc1nc(COc2ccc(NC(=O)[C@@H]3CCCCN3)cc2)no1 ZINC000159474156 197355758 /nfs/dbraw/zinc/35/57/58/197355758.db2.gz FIHUFHUHZJXFAA-AWEZNQCLSA-N 0 3 316.361 2.038 20 70 DEIDHN CCN1CCCN(C(=O)N[C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000160012326 285212634 /nfs/dbraw/zinc/21/26/34/285212634.db2.gz JWWNBELABRQFDB-OAHLLOKOSA-N 0 3 309.454 2.215 20 70 DEIDHN CCC[C@H]1CN(C(=O)NCCN(C)Cc2ccccc2)CCO1 ZINC000160519603 402349533 /nfs/dbraw/zinc/34/95/33/402349533.db2.gz ZYYNJBGTYHQYQV-KRWDZBQOSA-N 0 3 319.449 2.329 20 70 DEIDHN Cc1ccc(F)c(OCC(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000161341744 402383479 /nfs/dbraw/zinc/38/34/79/402383479.db2.gz XDJQIDVMJWQKCC-AWEZNQCLSA-N 0 3 306.381 2.210 20 70 DEIDHN CCN1CCCN(C(=O)NC[C@H]2CCCO[C@@H]2C(C)C)CC1 ZINC000159950872 402334326 /nfs/dbraw/zinc/33/43/26/402334326.db2.gz GBMALENYLNCNDC-HZPDHXFCSA-N 0 3 311.470 2.175 20 70 DEIDHN CCN1CCCN(C(=O)N[C@H]2COc3ccc(C)cc32)CC1 ZINC000160000070 402335093 /nfs/dbraw/zinc/33/50/93/402335093.db2.gz MTFVUTLIRCBSFN-HNNXBMFYSA-N 0 3 303.406 2.166 20 70 DEIDHN Cc1nc2n(n1)C[C@@H](N[C@@H]1CCCc3nc(C)sc31)CC2 ZINC000160504823 279141426 /nfs/dbraw/zinc/14/14/26/279141426.db2.gz KIZXUJOPGICERG-WCQYABFASA-N 0 3 303.435 2.333 20 70 DEIDHN COc1cc2c(cc1CNC[C@@](C)(O)CSC)O[C@H](C)C2 ZINC000217847814 337319285 /nfs/dbraw/zinc/31/92/85/337319285.db2.gz ZMXOSJNIQCRNOL-BDJLRTHQSA-N 0 3 311.447 2.222 20 70 DEIDHN CCN1CCCN(C(=O)N[C@H](C)CCc2cccn2C)CC1 ZINC000159914386 521610295 /nfs/dbraw/zinc/61/02/95/521610295.db2.gz JIWRPANAHMBGQY-OAHLLOKOSA-N 0 3 306.454 2.083 20 70 DEIDHN C[C@@H](CCO)NC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000159873392 524511893 /nfs/dbraw/zinc/51/18/93/524511893.db2.gz PJNBMRLRRHKLCH-KBPBESRZSA-N 0 3 307.438 2.186 20 70 DEIDHN C[C@@H](N)C(=O)NC[C@@H](C)Sc1ccc(Br)cc1 ZINC000159654309 186133686 /nfs/dbraw/zinc/13/36/86/186133686.db2.gz WBTTZYXPDCCOLA-RKDXNWHRSA-N 0 3 317.252 2.393 20 70 DEIDHN N[C@@H](Cc1ccccc1)C(=O)NCCCc1cccc(F)c1 ZINC000159451164 402324004 /nfs/dbraw/zinc/32/40/04/402324004.db2.gz VQTPQUMYMRGTOQ-KRWDZBQOSA-N 0 3 300.377 2.445 20 70 DEIDHN Cc1ccc(C)c([C@@H]2CCCN2C(=O)C(C)S(C)(=O)=O)c1 ZINC000160658185 402355691 /nfs/dbraw/zinc/35/56/91/402355691.db2.gz RIXNUVHCWMLMCZ-ZFWWWQNUSA-N 0 3 309.431 2.400 20 70 DEIDHN CCCn1c(C)nnc1CN1CCN(C)CC12CCCCC2 ZINC000160688427 402357265 /nfs/dbraw/zinc/35/72/65/402357265.db2.gz BIWBRCNJMOFSKT-UHFFFAOYSA-N 0 3 305.470 2.447 20 70 DEIDHN CCNC(=O)N1CCc2ccc(NC(=O)[C@H](N)[C@@H](C)CC)cc21 ZINC000160775000 402360072 /nfs/dbraw/zinc/36/00/72/402360072.db2.gz CAFVNHAVMCJFNQ-XHDPSFHLSA-N 0 3 318.421 2.091 20 70 DEIDHN COCCC1(CNC(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000161027890 402369707 /nfs/dbraw/zinc/36/97/07/402369707.db2.gz XPQICVSHEHTNSZ-UHFFFAOYSA-N 0 3 309.454 2.073 20 70 DEIDHN C[C@@H]1CCCN(CCNC(=O)CCCc2nc(C3CC3)no2)C1 ZINC000159903115 402332823 /nfs/dbraw/zinc/33/28/23/402332823.db2.gz KHHXLCWNKDXAPT-CYBMUJFWSA-N 0 3 320.437 2.118 20 70 DEIDHN CCCN(CCO)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000160214174 402338067 /nfs/dbraw/zinc/33/80/67/402338067.db2.gz UZCZFCUOGVYKCR-NVXWUHKLSA-N 0 3 319.449 2.063 20 70 DEIDHN CSCC[C@@H](N)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000161397433 278131420 /nfs/dbraw/zinc/13/14/20/278131420.db2.gz WRWRFTMBTRRYMY-OLZOCXBDSA-N 0 3 308.447 2.485 20 70 DEIDHN CCN1CCCC[C@H]1CNC(=O)NCCc1ccncc1C ZINC000161134016 521600052 /nfs/dbraw/zinc/60/00/52/521600052.db2.gz YHAMKVABZFPTRX-INIZCTEOSA-N 0 3 304.438 2.106 20 70 DEIDHN CCN1CCCN(C(=O)NC[C@@H](C)Oc2cccc(F)c2)CC1 ZINC000159916794 521608882 /nfs/dbraw/zinc/60/88/82/521608882.db2.gz HLHGAGWYMZFOTH-CQSZACIVSA-N 0 3 323.412 2.330 20 70 DEIDHN CCN1CCCN(C(=O)NC[C@H](OC)c2ccccc2)CC1 ZINC000159588403 186128732 /nfs/dbraw/zinc/12/87/32/186128732.db2.gz JWDGRLXHUTVVAZ-INIZCTEOSA-N 0 3 305.422 2.111 20 70 DEIDHN CCN1CCCN(C(=O)c2cc(NC(C)=O)ccc2Cl)CC1 ZINC000159642690 186132444 /nfs/dbraw/zinc/13/24/44/186132444.db2.gz UBLCLJPKMSTVMB-UHFFFAOYSA-N 0 3 323.824 2.466 20 70 DEIDHN C[C@H](C(=O)N(C)Cc1cccc(F)c1)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159698378 186136586 /nfs/dbraw/zinc/13/65/86/186136586.db2.gz PRBGQSCFKVXMGK-KMFMINBZSA-N 0 3 322.424 2.265 20 70 DEIDHN CCN1CCCN(C(=O)NCCc2ccc(F)cc2F)CC1 ZINC000159853177 355962915 /nfs/dbraw/zinc/96/29/15/355962915.db2.gz MIJIMAJJYDPTSN-UHFFFAOYSA-N 0 3 311.376 2.245 20 70 DEIDHN CCCC(O)(CCC)CNC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160703259 355965021 /nfs/dbraw/zinc/96/50/21/355965021.db2.gz XUVAEADMQKIZRK-HNNXBMFYSA-N 0 3 311.470 2.101 20 70 DEIDHN CCc1nn(C)c(Cl)c1C(=O)N[C@H](C)CN1CCCCC1 ZINC000160265450 197396605 /nfs/dbraw/zinc/39/66/05/197396605.db2.gz YXKXBFUUKRBQSY-LLVKDONJSA-N 0 3 312.845 2.240 20 70 DEIDHN CCC[C@H](N[C@@H](C)COC)C(=O)N1CCc2sccc2C1 ZINC000160206614 197392833 /nfs/dbraw/zinc/39/28/33/197392833.db2.gz LISACHJIEPRHLC-JSGCOSHPSA-N 0 3 310.463 2.426 20 70 DEIDHN COCC(C)(C)NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000160199780 197392482 /nfs/dbraw/zinc/39/24/82/197392482.db2.gz ZNGFEQAAIKDJJQ-GOEBONIOSA-N 0 3 319.449 2.374 20 70 DEIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc2ccccc2s1 ZINC000160147988 197388802 /nfs/dbraw/zinc/38/88/02/197388802.db2.gz GPHWCSLOZFWRRO-CQSZACIVSA-N 0 3 318.442 2.478 20 70 DEIDHN Cn1ccnc1CNC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218238467 402295672 /nfs/dbraw/zinc/29/56/72/402295672.db2.gz UAFIEMUKZDKSMG-ZDUSSCGKSA-N 0 3 308.426 2.157 20 70 DEIDHN Cn1nccc1CNC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218238630 402295708 /nfs/dbraw/zinc/29/57/08/402295708.db2.gz HIOUHDDUWRWZHE-ZDUSSCGKSA-N 0 3 308.426 2.157 20 70 DEIDHN COc1ccc([C@H](C)N[C@H]2CCc3nc(C)nn3C2)c(F)c1 ZINC000160328956 402340821 /nfs/dbraw/zinc/34/08/21/402340821.db2.gz BLKKNMCVRXUURX-JQWIXIFHSA-N 0 3 304.369 2.400 20 70 DEIDHN C[C@H](CC(=O)NCC1CCN(CCO)CC1)C1CCCCC1 ZINC000160533641 402349859 /nfs/dbraw/zinc/34/98/59/402349859.db2.gz OKLNMOYCEYDUHU-OAHLLOKOSA-N 0 3 310.482 2.413 20 70 DEIDHN CC(=O)N1CC[C@@H](CN(C)CCC(=O)c2ccc(C)cc2)C1 ZINC000161023993 402369866 /nfs/dbraw/zinc/36/98/66/402369866.db2.gz JADPUQJHGZQXDX-INIZCTEOSA-N 0 3 302.418 2.368 20 70 DEIDHN C[C@@H](CCO)CNC(=O)c1oc2ccccc2c1CN(C)C ZINC000161046221 402371086 /nfs/dbraw/zinc/37/10/86/402371086.db2.gz VIUMDMFMDMCHBR-LBPRGKRZSA-N 0 3 304.390 2.243 20 70 DEIDHN COCCN(C)CCNC(=O)c1cnc(-c2ccccc2)s1 ZINC000161063295 402371701 /nfs/dbraw/zinc/37/17/01/402371701.db2.gz ZFNBCOUYKOUOLF-UHFFFAOYSA-N 0 3 319.430 2.118 20 70 DEIDHN CSCC[C@@H](N)C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000161178755 402376798 /nfs/dbraw/zinc/37/67/98/402376798.db2.gz MLXVZQRAVRIYEW-UPJWGTAASA-N 0 3 302.484 2.024 20 70 DEIDHN CCCCOC(=O)CCN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161402877 402386346 /nfs/dbraw/zinc/38/63/46/402386346.db2.gz IFGUECBCQIYCGT-CQSZACIVSA-N 0 3 320.437 2.137 20 70 DEIDHN Cc1cccc([C@@H]2CCCN2C[C@H](O)COC[C@@H]2CCCO2)n1 ZINC000159998320 402335071 /nfs/dbraw/zinc/33/50/71/402335071.db2.gz FIBWIHKXYJBLNC-BQFCYCMXSA-N 0 3 320.433 2.083 20 70 DEIDHN Cc1c([C@H](C)NC2CCN(C)CC2)nnn1-c1ccc(F)cc1 ZINC000161485958 402389279 /nfs/dbraw/zinc/38/92/79/402389279.db2.gz YGPLGUNDBHAFRF-LBPRGKRZSA-N 0 3 317.412 2.460 20 70 DEIDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(F)cc1N(C)C)CC2 ZINC000160509933 293555445 /nfs/dbraw/zinc/55/54/45/293555445.db2.gz BPURFPFCWWUGFH-BXUZGUMPSA-N 0 3 317.412 2.457 20 70 DEIDHN CC1CCN(CCNC(=O)[C@H](O)c2ccccc2Cl)CC1 ZINC000159518698 521014438 /nfs/dbraw/zinc/01/44/38/521014438.db2.gz MFVZLSBWVAOWEM-OAHLLOKOSA-N 0 3 310.825 2.222 20 70 DEIDHN CCN1CCC[C@@H]1CNC(=O)c1csc([C@@H]2CCCO2)n1 ZINC000160329948 521639612 /nfs/dbraw/zinc/63/96/12/521639612.db2.gz HELAHSWYFNFKQZ-YPMHNXCESA-N 0 3 309.435 2.209 20 70 DEIDHN CC[C@H](C(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1 ZINC000160199145 523780261 /nfs/dbraw/zinc/78/02/61/523780261.db2.gz VGGHZPLAMJWSLD-SJORKVTESA-N 0 3 304.434 2.143 20 70 DEIDHN Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000159862950 526562679 /nfs/dbraw/zinc/56/26/79/526562679.db2.gz RQUZATFTVLBMDU-WDEREUQCSA-N 0 3 308.426 2.177 20 70 DEIDHN CCC(CC)(CNCC(=O)N1[C@@H](C)CCC[C@@H]1C)C(=O)OC ZINC000159658277 186133577 /nfs/dbraw/zinc/13/35/77/186133577.db2.gz NAGFKFFPFMCULJ-KBPBESRZSA-N 0 3 312.454 2.345 20 70 DEIDHN CCN(CC)c1ncc(CN2CCC(CC(N)=O)CC2)s1 ZINC000159718842 186137569 /nfs/dbraw/zinc/13/75/69/186137569.db2.gz INZRPNKLKIHOSB-UHFFFAOYSA-N 0 3 310.467 2.077 20 70 DEIDHN CC(C)N(CCN(C)C)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159757923 186139716 /nfs/dbraw/zinc/13/97/16/186139716.db2.gz FRJBHVXTUNJZMC-OAHLLOKOSA-N 0 3 311.470 2.460 20 70 DEIDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000160741755 355966095 /nfs/dbraw/zinc/96/60/95/355966095.db2.gz HGOCJZAOKDJCHB-GDBMZVCRSA-N 0 3 302.422 2.346 20 70 DEIDHN CN(CCCNC(=O)N1CCC[C@@](C)(O)C1)Cc1ccccc1 ZINC000159951074 197376158 /nfs/dbraw/zinc/37/61/58/197376158.db2.gz GFDZEJRAKCLKKM-GOSISDBHSA-N 0 3 319.449 2.065 20 70 DEIDHN CCC[C@H](C(=O)NC[C@@H](c1ccccc1OC)N(C)C)N(C)C ZINC000161243942 291673321 /nfs/dbraw/zinc/67/33/21/291673321.db2.gz NIBCFJASEVKGEU-CVEARBPZSA-N 0 3 321.465 2.144 20 70 DEIDHN CCS(=O)(=O)c1ccc([C@H](C)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000159513597 197359850 /nfs/dbraw/zinc/35/98/50/197359850.db2.gz FLDJLUXUHNNYNZ-RCBQFDQVSA-N 0 3 311.447 2.434 20 70 DEIDHN O=C(CCNCc1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000159486049 402324771 /nfs/dbraw/zinc/32/47/71/402324771.db2.gz LXQDFFFMMXNHIX-UHFFFAOYSA-N 0 3 317.216 2.332 20 70 DEIDHN CN(C)CCN(C(=O)N[C@H]1CCO[C@H](C2CC2)C1)C1CCCC1 ZINC000160442342 402346109 /nfs/dbraw/zinc/34/61/09/402346109.db2.gz ABUXOTDJQOCOBV-RDJZCZTQSA-N 0 3 323.481 2.460 20 70 DEIDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(-n3ccnc3)cc1)CC2 ZINC000160485086 402347556 /nfs/dbraw/zinc/34/75/56/402347556.db2.gz OTNRUEDIBNVWFN-CJNGLKHVSA-N 0 3 322.416 2.438 20 70 DEIDHN CCNC(=O)N1CCc2ccc(NC(=O)[C@@H](N)[C@H](C)CC)cc21 ZINC000160774621 402360014 /nfs/dbraw/zinc/36/00/14/402360014.db2.gz CAFVNHAVMCJFNQ-ABAIWWIYSA-N 0 3 318.421 2.091 20 70 DEIDHN C[C@H](C(=O)NCc1ccccc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160974442 402367830 /nfs/dbraw/zinc/36/78/30/402367830.db2.gz JAHALDOKXZSWRU-SZVBFZGTSA-N 0 3 316.445 2.318 20 70 DEIDHN COc1cc(F)c(C(=O)N(C)C2CCN(C)CC2)cc1OC ZINC000161125983 402373863 /nfs/dbraw/zinc/37/38/63/402373863.db2.gz SMOKWESVHPKRFL-UHFFFAOYSA-N 0 3 310.369 2.009 20 70 DEIDHN COC(=O)C1(NC(=O)CN2CC[C@@H]3CCCC[C@@H]32)CCCCC1 ZINC000159726287 402329181 /nfs/dbraw/zinc/32/91/81/402329181.db2.gz ZKIHJSAYRUVAII-GJZGRUSLSA-N 0 3 322.449 2.243 20 70 DEIDHN CN1CCC[C@H](CNC(=O)N2CCC(C3CCOCC3)CC2)C1 ZINC000159804386 402330923 /nfs/dbraw/zinc/33/09/23/402330923.db2.gz AIJABCZRWQUVKR-OAHLLOKOSA-N 0 3 323.481 2.176 20 70 DEIDHN CN1CCC[C@@H](CNC(=O)N2CCC(C3CCOCC3)CC2)C1 ZINC000159804523 402330952 /nfs/dbraw/zinc/33/09/52/402330952.db2.gz AIJABCZRWQUVKR-HNNXBMFYSA-N 0 3 323.481 2.176 20 70 DEIDHN CN(C)C[C@](C)(O)CNC(=O)CCC(C)(C)c1ccccc1 ZINC000161414887 402386440 /nfs/dbraw/zinc/38/64/40/402386440.db2.gz LPJDTAIUTVPOSL-GOSISDBHSA-N 0 3 306.450 2.173 20 70 DEIDHN CCN1CCCN(C(=O)N[C@H](CCCO)c2ccccc2)CC1 ZINC000159896051 402333060 /nfs/dbraw/zinc/33/30/60/402333060.db2.gz DSOOMNQHRHQJAB-QGZVFWFLSA-N 0 3 319.449 2.237 20 70 DEIDHN COCCN(C)CCCNC(=O)[C@@]1(C)CCCc2ccccc21 ZINC000160149007 402336627 /nfs/dbraw/zinc/33/66/27/402336627.db2.gz GUPJJQFZZFAYTA-IBGZPJMESA-N 0 3 318.461 2.365 20 70 DEIDHN C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H](C)CCO)CC1 ZINC000160203220 402338148 /nfs/dbraw/zinc/33/81/48/402338148.db2.gz RKSNXOQYXHWTIK-LSDHHAIUSA-N 0 3 319.449 2.282 20 70 DEIDHN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N(CCN(C)C)C(C)C ZINC000159463786 280084673 /nfs/dbraw/zinc/08/46/73/280084673.db2.gz BHGVRBXYMPQYEX-HOTGVXAUSA-N 0 3 313.486 2.419 20 70 DEIDHN CCN1CCCN(C(=O)NC[C@@H](C)Oc2ccccc2F)CC1 ZINC000159920755 521608643 /nfs/dbraw/zinc/60/86/43/521608643.db2.gz CZHCFVKUTZDUDK-CQSZACIVSA-N 0 3 323.412 2.330 20 70 DEIDHN COCCN(C)CCCNC(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000161486234 523586661 /nfs/dbraw/zinc/58/66/61/523586661.db2.gz HIHVCLOWWLQVBV-UONOGXRCSA-N 0 3 310.463 2.245 20 70 DEIDHN CCc1ccc([C@@H](C)NC2CCN(CC(=O)N(C)C)CC2)o1 ZINC000160455896 524023985 /nfs/dbraw/zinc/02/39/85/524023985.db2.gz LZVBNTSOKZJRCF-CYBMUJFWSA-N 0 3 307.438 2.045 20 70 DEIDHN C[C@@H](NC(C)(C)CNC(=O)N[C@@H](C)CCO)c1ccccc1 ZINC000159873695 525386286 /nfs/dbraw/zinc/38/62/86/525386286.db2.gz PJNBMRLRRHKLCH-UONOGXRCSA-N 0 3 307.438 2.186 20 70 DEIDHN C[C@@H](C(=O)NC1CCCCC1)N1CCN(c2ccncc2)CC1 ZINC000161333446 539591432 /nfs/dbraw/zinc/59/14/32/539591432.db2.gz GUKAYHVTBNENLX-HNNXBMFYSA-N 0 3 316.449 2.041 20 70 DEIDHN CCN1CCCN(C(=O)N[C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000159739960 186138682 /nfs/dbraw/zinc/13/86/82/186138682.db2.gz STYJQNRYNDFWBB-AWEZNQCLSA-N 0 3 305.422 2.060 20 70 DEIDHN CCCC(O)(CCC)CNC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160703144 355964757 /nfs/dbraw/zinc/96/47/57/355964757.db2.gz XUVAEADMQKIZRK-OAHLLOKOSA-N 0 3 311.470 2.101 20 70 DEIDHN CC[C@@H](C(=O)NCCOc1ncc(Cl)cc1Cl)N(C)C ZINC000160744455 355966183 /nfs/dbraw/zinc/96/61/83/355966183.db2.gz YEDASTOAXYKWSF-NSHDSACASA-N 0 3 320.220 2.224 20 70 DEIDHN O=C(CCc1ccc(Cl)cc1)NC[C@@H](O)CN1CCCCC1 ZINC000160310433 197399404 /nfs/dbraw/zinc/39/94/04/197399404.db2.gz DLMJEBUCEKBTBC-MRXNPFEDSA-N 0 3 324.852 2.236 20 70 DEIDHN Cc1nnc2ccc(N[C@@H]3CN(Cc4ccccc4)C[C@@H]3C)nn12 ZINC000160242312 197394899 /nfs/dbraw/zinc/39/48/99/197394899.db2.gz FOCJIUVDAWSENW-XJKSGUPXSA-N 0 3 322.416 2.365 20 70 DEIDHN C[C@H]1C[C@H](NC(=O)Nc2cnn(C)c2)CN1Cc1ccccc1 ZINC000159881647 197370673 /nfs/dbraw/zinc/37/06/73/197370673.db2.gz MUJMPNLPHSIWPM-ZFWWWQNUSA-N 0 3 313.405 2.205 20 70 DEIDHN CC[C@@H]1CCCCN1C(=O)CNCC(CC)(CC)C(=O)OC ZINC000159664697 291657089 /nfs/dbraw/zinc/65/70/89/291657089.db2.gz FAQVPFPUDZEMIR-CQSZACIVSA-N 0 3 312.454 2.347 20 70 DEIDHN CC(C)[C@@H](C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1)N(C)C ZINC000159516439 197359845 /nfs/dbraw/zinc/35/98/45/197359845.db2.gz VHDMBQWKKBMUCA-OIISXLGYSA-N 0 3 306.450 2.244 20 70 DEIDHN CCc1nn(C)c(Cl)c1C(=O)NCCN1CCC[C@H](C)C1 ZINC000160497395 402348298 /nfs/dbraw/zinc/34/82/98/402348298.db2.gz ZVTKDFHLZXWPOI-NSHDSACASA-N 0 3 312.845 2.098 20 70 DEIDHN CCCc1ccc(C(=O)NCC2CCN(CCO)CC2)cc1 ZINC000160635116 402354761 /nfs/dbraw/zinc/35/47/61/402354761.db2.gz FZYCQNZPCNKLTB-UHFFFAOYSA-N 0 3 304.434 2.073 20 70 DEIDHN NC1(C(=O)NCc2nc(C(F)(F)F)cs2)CCCCC1 ZINC000161004133 402368657 /nfs/dbraw/zinc/36/86/57/402368657.db2.gz AVIKBKUAXQADOO-UHFFFAOYSA-N 0 3 307.341 2.440 20 70 DEIDHN O=S(=O)(NCCN1CC[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000159707948 402329051 /nfs/dbraw/zinc/32/90/51/402329051.db2.gz WNDXMXBAQNITQQ-HOCLYGCPSA-N 0 3 308.447 2.229 20 70 DEIDHN C[C@@H](CNC(=O)N1CCC(C2CCOCC2)CC1)N(C)C1CC1 ZINC000159864907 402331886 /nfs/dbraw/zinc/33/18/86/402331886.db2.gz YKYKFGRAIJWEER-AWEZNQCLSA-N 0 3 323.481 2.317 20 70 DEIDHN CCC[C@H](N[C@H](C)COC)C(=O)N1CCc2sccc2C1 ZINC000160206862 402338303 /nfs/dbraw/zinc/33/83/03/402338303.db2.gz LISACHJIEPRHLC-OCCSQVGLSA-N 0 3 310.463 2.426 20 70 DEIDHN O=C([C@@H]1CCCCN1)N1CCc2ccc(Br)cc21 ZINC000159990946 275003714 /nfs/dbraw/zinc/00/37/14/275003714.db2.gz DTDPBKMAZZIHDJ-LBPRGKRZSA-N 0 3 309.207 2.480 20 70 DEIDHN C/C(=C/C(=O)NC[C@@H](O)CN1CCCCC1)c1ccc(F)cc1 ZINC000160024922 518409911 /nfs/dbraw/zinc/40/99/11/518409911.db2.gz RAFJGXAQJCUWMU-VWILAXROSA-N 0 3 320.408 2.192 20 70 DEIDHN CCN(C)[C@H](C(=O)N[C@@H](C)Cc1cc(C)[nH]n1)c1ccccc1 ZINC000161153722 520272823 /nfs/dbraw/zinc/27/28/23/520272823.db2.gz HPAXYMFAVVMEFO-GUYCJALGSA-N 0 3 314.433 2.458 20 70 DEIDHN CCC(CC)(CNCC(=O)NCc1ccc(C)cc1)C(=O)OC ZINC000159652404 521439070 /nfs/dbraw/zinc/43/90/70/521439070.db2.gz PAVCRNYMVJTBGM-UHFFFAOYSA-N 0 3 320.433 2.180 20 70 DEIDHN CCN1CCCN(C(=O)NCCc2cc(C)ccc2OC)CC1 ZINC000159556451 521607866 /nfs/dbraw/zinc/60/78/66/521607866.db2.gz LTPPJONLGSELKW-UHFFFAOYSA-N 0 3 319.449 2.283 20 70 DEIDHN CN(C)[C@H]1CCN(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000160354937 522101654 /nfs/dbraw/zinc/10/16/54/522101654.db2.gz PKJRSORSLDBBBZ-HOCLYGCPSA-N 0 3 319.405 2.022 20 70 DEIDHN COCCN1CCC(NC(=O)c2cnc(C(C)C)s2)CC1 ZINC000160378626 523816222 /nfs/dbraw/zinc/81/62/22/523816222.db2.gz LPPWEEDIPKPIDZ-UHFFFAOYSA-N 0 3 311.451 2.107 20 70 DEIDHN O=C(CCc1ncc(-c2ccccc2F)o1)N1CCCNCC1 ZINC000160846293 526658581 /nfs/dbraw/zinc/65/85/81/526658581.db2.gz MIANVFLUNLIORC-UHFFFAOYSA-N 0 3 317.364 2.235 20 70 DEIDHN Cc1nccn1-c1ccc([C@@H](C)NCC(=O)NC(C)C)cc1 ZINC000160956384 527378983 /nfs/dbraw/zinc/37/89/83/527378983.db2.gz MLWVACJBQDVFAQ-CYBMUJFWSA-N 0 3 300.406 2.356 20 70 DEIDHN Cc1nc(CNC(=O)N(CCN(C)C)C2CCCC2)cs1 ZINC000159575483 539582502 /nfs/dbraw/zinc/58/25/02/539582502.db2.gz HWJNDVLRMHXDBV-UHFFFAOYSA-N 0 3 310.467 2.467 20 70 DEIDHN C[C@H](CC(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1ccncc1 ZINC000159617300 539582849 /nfs/dbraw/zinc/58/28/49/539582849.db2.gz SEUMOIYMFONMNT-WBVHZDCISA-N 0 3 319.449 2.144 20 70 DEIDHN Cn1cc(N2CCC[C@H](N3CC[C@H](c4ccccc4)C3)C2=O)cn1 ZINC000159810745 197366632 /nfs/dbraw/zinc/36/66/32/197366632.db2.gz WVZHUFJDVDBUOH-WMZOPIPTSA-N 0 3 324.428 2.405 20 70 DEIDHN NC(=O)CC1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000159790905 197364504 /nfs/dbraw/zinc/36/45/04/197364504.db2.gz RTCIFZHHDNJBFC-UHFFFAOYSA-N 0 3 316.380 2.303 20 70 DEIDHN O=C(NCCc1cscn1)N1CCN(C2CCCCC2)CC1 ZINC000159506967 197358890 /nfs/dbraw/zinc/35/88/90/197358890.db2.gz YDBXXNCDKMDILL-UHFFFAOYSA-N 0 3 322.478 2.346 20 70 DEIDHN Cc1ccc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)s1 ZINC000159395528 197350577 /nfs/dbraw/zinc/35/05/77/197350577.db2.gz SCKJFMQQXCXESV-CYBMUJFWSA-N 0 3 316.492 2.350 20 70 DEIDHN CC(C)(CNC(=O)CNC[C@@H]1CCCO1)Cc1ccccc1 ZINC000159486989 402324893 /nfs/dbraw/zinc/32/48/93/402324893.db2.gz GTMJJUCTLTWZHU-INIZCTEOSA-N 0 3 304.434 2.140 20 70 DEIDHN CCN1CCC(NC(=O)c2csc([C@@H]3CCCO3)n2)CC1 ZINC000160338000 402341635 /nfs/dbraw/zinc/34/16/35/402341635.db2.gz ZQPUHTRCXIRDQA-ZDUSSCGKSA-N 0 3 309.435 2.209 20 70 DEIDHN C[C@@H](Sc1ccccc1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160531059 402350093 /nfs/dbraw/zinc/35/00/93/402350093.db2.gz UAGBGGFNIGEAGM-CABCVRRESA-N 0 3 322.474 2.130 20 70 DEIDHN O=C(CC/C=C/c1ccccc1)NCC1CCN(CCO)CC1 ZINC000160660032 402355967 /nfs/dbraw/zinc/35/59/67/402355967.db2.gz VQBXKQFUPCJVNE-XBXARRHUSA-N 0 3 316.445 2.301 20 70 DEIDHN O=C(CCc1ccc(Cl)cc1)NCC1CCN(CCO)CC1 ZINC000160716186 402357755 /nfs/dbraw/zinc/35/77/55/402357755.db2.gz HKHQKATYVUTBQP-UHFFFAOYSA-N 0 3 324.852 2.093 20 70 DEIDHN CSCC[C@@H](N)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000161178520 402376685 /nfs/dbraw/zinc/37/66/85/402376685.db2.gz MLXVZQRAVRIYEW-XQQFMLRXSA-N 0 3 302.484 2.024 20 70 DEIDHN CC(C)(C)OC(=O)CCN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161394564 402385854 /nfs/dbraw/zinc/38/58/54/402385854.db2.gz MUZAEXUVHXCLPE-ZDUSSCGKSA-N 0 3 320.437 2.136 20 70 DEIDHN CCN(CC)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2)c1ccccc1 ZINC000159896747 402332795 /nfs/dbraw/zinc/33/27/95/402332795.db2.gz SUSCEFVAKACQID-FGTMMUONSA-N 0 3 315.461 2.422 20 70 DEIDHN CCN(C)CCNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000159589605 276069776 /nfs/dbraw/zinc/06/97/76/276069776.db2.gz RRVFGDCQCFMDFB-CVEARBPZSA-N 0 3 305.422 2.158 20 70 DEIDHN CSCC[C@H](N)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000161394298 278132786 /nfs/dbraw/zinc/13/27/86/278132786.db2.gz WRWRFTMBTRRYMY-QWHCGFSZSA-N 0 3 308.447 2.485 20 70 DEIDHN COC[C@H](N[C@@H](CN1CCCC1=O)c1ccccc1)C1CC1 ZINC000160793193 293158571 /nfs/dbraw/zinc/15/85/71/293158571.db2.gz XDWLHGHVBRQKKK-IRXDYDNUSA-N 0 3 302.418 2.365 20 70 DEIDHN CC(C)C[C@H](N)C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000161329035 519364018 /nfs/dbraw/zinc/36/40/18/519364018.db2.gz FKEYBEUABAZPRU-IRXDYDNUSA-N 0 3 304.434 2.425 20 70 DEIDHN CCN1CCC(NC(=O)NC[C@H](C)c2c(C)noc2C)CC1 ZINC000159574417 521575678 /nfs/dbraw/zinc/57/56/78/521575678.db2.gz LUKLALHOHDQINR-NSHDSACASA-N 0 3 308.426 2.178 20 70 DEIDHN CSC[C@@H](CCO)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000160409037 525641640 /nfs/dbraw/zinc/64/16/40/525641640.db2.gz NGRNAZIDIXHDJV-TZMCWYRMSA-N 0 3 306.435 2.032 20 70 DEIDHN COC(=O)c1cc(CN2CCN(c3ccncc3)CC2)oc1C ZINC000161312336 355968953 /nfs/dbraw/zinc/96/89/53/355968953.db2.gz OLYKRLPWDVYHAK-UHFFFAOYSA-N 0 3 315.373 2.092 20 70 DEIDHN CCN(CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)N(C)C ZINC000160000519 197378989 /nfs/dbraw/zinc/37/89/89/197378989.db2.gz BNQVOGVXGHZUFE-HNNXBMFYSA-N 0 3 318.465 2.097 20 70 DEIDHN Cn1cc(N2CCC[C@@H](N3CC[C@H](c4ccccc4)C3)C2=O)cn1 ZINC000159810859 197366508 /nfs/dbraw/zinc/36/65/08/197366508.db2.gz WVZHUFJDVDBUOH-FUHWJXTLSA-N 0 3 324.428 2.405 20 70 DEIDHN CC(C)N(CCN(C)C)C(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000159366741 402322193 /nfs/dbraw/zinc/32/21/93/402322193.db2.gz QEZUMQIIBHPCGD-HZPDHXFCSA-N 0 3 321.469 2.348 20 70 DEIDHN COc1ccc(OC)c([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)c1 ZINC000160327045 402341191 /nfs/dbraw/zinc/34/11/91/402341191.db2.gz BWEPIEKYYFBSEE-YPMHNXCESA-N 0 3 316.405 2.269 20 70 DEIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1csc2ccccc12 ZINC000160450860 402346062 /nfs/dbraw/zinc/34/60/62/402346062.db2.gz HNWDKWKZZQLGKT-CYBMUJFWSA-N 0 3 318.442 2.478 20 70 DEIDHN Cc1ccc2oc(C(=O)NCC3CCN(CCO)CC3)cc2c1 ZINC000160585171 402352569 /nfs/dbraw/zinc/35/25/69/402352569.db2.gz IGSHWSGTPPFGKY-UHFFFAOYSA-N 0 3 316.401 2.175 20 70 DEIDHN COC[C@](C)(CC(=O)OC)NCCC(=O)c1ccc(C)cc1 ZINC000160664726 402356392 /nfs/dbraw/zinc/35/63/92/402356392.db2.gz UDXSMGKKFGUQHQ-KRWDZBQOSA-N 0 3 307.390 2.126 20 70 DEIDHN CC(C)CCn1ccc(NC(=O)NC[C@H]2CCCN(C)C2)n1 ZINC000160882370 402364101 /nfs/dbraw/zinc/36/41/01/402364101.db2.gz QQMNMFYEIDBWHF-CQSZACIVSA-N 0 3 307.442 2.393 20 70 DEIDHN CSCC[C@H](N)C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1 ZINC000161233684 402378296 /nfs/dbraw/zinc/37/82/96/402378296.db2.gz PXEZLVQOMFLHRS-ZDUSSCGKSA-N 0 3 322.409 2.339 20 70 DEIDHN C[C@H](C(=O)N[C@@H]1CCN(c2ccccn2)C1)N1CCCCCC1 ZINC000161358069 402384531 /nfs/dbraw/zinc/38/45/31/402384531.db2.gz HLLNKROKOCFZDD-HZPDHXFCSA-N 0 3 316.449 2.041 20 70 DEIDHN c1cn(CCN2CCC(c3nc(-c4ccccn4)no3)CC2)cn1 ZINC000159793493 402330942 /nfs/dbraw/zinc/33/09/42/402330942.db2.gz VHEJBQAULCICGG-UHFFFAOYSA-N 0 3 324.388 2.208 20 70 DEIDHN Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000159801328 402331157 /nfs/dbraw/zinc/33/11/57/402331157.db2.gz RRMJAIMETUBKJV-FZMZJTMJSA-N 0 3 308.426 2.036 20 70 DEIDHN Cc1ccc(C(=O)CCN2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000159832978 402331836 /nfs/dbraw/zinc/33/18/36/402331836.db2.gz KVTJNGBKVGGOOV-GOSISDBHSA-N 0 3 316.445 2.364 20 70 DEIDHN CC[C@H](C(=O)NCc1ccccc1-n1nc(C)cc1C)N(C)C ZINC000159414859 523785410 /nfs/dbraw/zinc/78/54/10/523785410.db2.gz AUPFZPCBCFRZHG-MRXNPFEDSA-N 0 3 314.433 2.446 20 70 DEIDHN C[C@@H](CC(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1ccncc1 ZINC000159617204 539582628 /nfs/dbraw/zinc/58/26/28/539582628.db2.gz SEUMOIYMFONMNT-RDJZCZTQSA-N 0 3 319.449 2.144 20 70 DEIDHN CCN1CCCN(C(=O)NCc2ccc(C)c(OC)c2)CC1 ZINC000159737335 186138418 /nfs/dbraw/zinc/13/84/18/186138418.db2.gz NQQJPFYGTXUKGV-UHFFFAOYSA-N 0 3 305.422 2.241 20 70 DEIDHN c1cn(CCN2CCC[C@H](c3nnc4n3CCCCC4)C2)cn1 ZINC000159740714 186138640 /nfs/dbraw/zinc/13/86/40/186138640.db2.gz XEYMFVFLTCEIED-HNNXBMFYSA-N 0 3 314.437 2.081 20 70 DEIDHN CCCCN(C)CCNC(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000159949924 355963253 /nfs/dbraw/zinc/96/32/53/355963253.db2.gz FDDPIWKUFVEPGH-UHFFFAOYSA-N 0 3 319.449 2.106 20 70 DEIDHN CN(C[C@H](O)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCOC1 ZINC000160066032 197383719 /nfs/dbraw/zinc/38/37/19/197383719.db2.gz HNBMITXOFBQGSH-ZIAGYGMSSA-N 0 3 303.324 2.330 20 70 DEIDHN CC(C)[C@@H](C(=O)NC[C@H](C[C@H](C)O)c1ccccc1)N(C)C ZINC000159766348 197363012 /nfs/dbraw/zinc/36/30/12/197363012.db2.gz VHDMBQWKKBMUCA-XIRDDKMYSA-N 0 3 306.450 2.244 20 70 DEIDHN COCCN(C)CCN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000159373850 402322097 /nfs/dbraw/zinc/32/20/97/402322097.db2.gz HPTFNYOFQIFMOS-OAHLLOKOSA-N 0 3 319.449 2.042 20 70 DEIDHN Cn1nccc1CNC1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000218107611 402294944 /nfs/dbraw/zinc/29/49/44/402294944.db2.gz XMSJQRPYTDGZNK-UHFFFAOYSA-N 0 3 308.426 2.346 20 70 DEIDHN CCc1ccc([C@@H](C)C(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000160464481 402346643 /nfs/dbraw/zinc/34/66/43/402346643.db2.gz CRBKEWMECQHKMH-CRAIPNDOSA-N 0 3 318.461 2.316 20 70 DEIDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(-n3ccnc3)cc1)CC2 ZINC000160484681 402347324 /nfs/dbraw/zinc/34/73/24/402347324.db2.gz OTNRUEDIBNVWFN-XJKSGUPXSA-N 0 3 322.416 2.438 20 70 DEIDHN Cc1c(C(=O)N2CC[C@@H](N3CCCC3)C2)cnn1CC(C)C ZINC000160525094 402349197 /nfs/dbraw/zinc/34/91/97/402349197.db2.gz CFAWTQPCUKAAFS-OAHLLOKOSA-N 0 3 304.438 2.158 20 70 DEIDHN O=C(NCC1CCN(CCO)CC1)c1ccc2ccccc2c1 ZINC000160662876 402356199 /nfs/dbraw/zinc/35/61/99/402356199.db2.gz QSLFMSDKETUQMI-UHFFFAOYSA-N 0 3 312.413 2.274 20 70 DEIDHN Cc1noc2nc(C(C)C)cc(C(=O)N3CCCNCC3)c12 ZINC000160836075 402362633 /nfs/dbraw/zinc/36/26/33/402362633.db2.gz ADUBZZPODXCSBX-UHFFFAOYSA-N 0 3 302.378 2.090 20 70 DEIDHN CCC(CC)(CNCC(=O)N1[C@H](C)CCC[C@H]1C)C(=O)OC ZINC000159658405 402327973 /nfs/dbraw/zinc/32/79/73/402327973.db2.gz NAGFKFFPFMCULJ-ZIAGYGMSSA-N 0 3 312.454 2.345 20 70 DEIDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(F)cc1N(C)C)CC2 ZINC000160509816 293543413 /nfs/dbraw/zinc/54/34/13/293543413.db2.gz BPURFPFCWWUGFH-FZMZJTMJSA-N 0 3 317.412 2.457 20 70 DEIDHN CC(C)(C)OC(=O)NC[C@H]1CCCCN1CCn1ccnc1 ZINC000159790074 518834890 /nfs/dbraw/zinc/83/48/90/518834890.db2.gz QMXKGHPVTKAPDW-CQSZACIVSA-N 0 3 308.426 2.262 20 70 DEIDHN CCC[C@@H](N)C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000160937825 520720584 /nfs/dbraw/zinc/72/05/84/520720584.db2.gz MYCAGFSGUMHFHB-LLVKDONJSA-N 0 3 308.769 2.134 20 70 DEIDHN CCN1CCCN(C(=O)NC[C@H](C)Oc2ccccc2)CC1 ZINC000159860587 521607770 /nfs/dbraw/zinc/60/77/70/521607770.db2.gz SXDBLSBDULXSRL-HNNXBMFYSA-N 0 3 305.422 2.191 20 70 DEIDHN CCN1CCCN(C(=O)NC[C@@H](C)N(C)c2ccccc2)CC1 ZINC000159623761 521608809 /nfs/dbraw/zinc/60/88/09/521608809.db2.gz IKZIZQJKWDTWHS-MRXNPFEDSA-N 0 3 318.465 2.249 20 70 DEIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc(Cl)ccc1F ZINC000160196176 282177572 /nfs/dbraw/zinc/17/75/72/282177572.db2.gz NDLZLVRKWXEVKI-GFCCVEGCSA-N 0 3 314.788 2.056 20 70 DEIDHN CCn1nccc1CNCc1ccc(OCCN(C)C)cc1 ZINC000160031259 539584751 /nfs/dbraw/zinc/58/47/51/539584751.db2.gz INNAGMBFLIWNGU-UHFFFAOYSA-N 0 3 302.422 2.133 20 70 DEIDHN C[C@H](CNC(=O)CN)Sc1ccc(Br)cc1 ZINC000159653528 186133241 /nfs/dbraw/zinc/13/32/41/186133241.db2.gz IJRJPHWPNUFAKL-MRVPVSSYSA-N 0 3 303.225 2.005 20 70 DEIDHN CC1(C)Cc2cc(CN3CCC(CC(N)=O)CC3)ccc2O1 ZINC000159752785 186140027 /nfs/dbraw/zinc/14/00/27/186140027.db2.gz UUWVNTFWAUJEQS-UHFFFAOYSA-N 0 3 302.418 2.488 20 70 DEIDHN O=C(C[C@@H]1CNCCO1)N1CC2(CCCC2)c2ccccc21 ZINC000159368985 283861341 /nfs/dbraw/zinc/86/13/41/283861341.db2.gz PWDFKECHQCLMNZ-CQSZACIVSA-N 0 3 300.402 2.224 20 70 DEIDHN CCC(CC)(CNCC(=O)N[C@@H]1CCCC[C@@H]1C)C(=O)OC ZINC000159669827 291657212 /nfs/dbraw/zinc/65/72/12/291657212.db2.gz OXRHEWQEQDJENG-UONOGXRCSA-N 0 3 312.454 2.250 20 70 DEIDHN C[C@H](CNC(=O)N(C)CC1CCOCC1)N1CCC(C)CC1 ZINC000159785456 291658870 /nfs/dbraw/zinc/65/88/70/291658870.db2.gz MYXGWPZRBJAAQL-OAHLLOKOSA-N 0 3 311.470 2.175 20 70 DEIDHN CC[C@@H](C(=O)NCC1CCN(CCO)CC1)c1ccccc1 ZINC000160651604 402355403 /nfs/dbraw/zinc/35/54/03/402355403.db2.gz GJZZUHVYOGSKHE-QGZVFWFLSA-N 0 3 304.434 2.001 20 70 DEIDHN COC(CN1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C)OC ZINC000160831673 402361932 /nfs/dbraw/zinc/36/19/32/402361932.db2.gz UMQIMQFLDWGXJR-OLZOCXBDSA-N 0 3 316.442 2.373 20 70 DEIDHN CCSCC[C@H](C)NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160916175 402365238 /nfs/dbraw/zinc/36/52/38/402365238.db2.gz JROSPTLDTIXSSV-RSUWNVLCSA-N 0 3 314.495 2.167 20 70 DEIDHN O[C@H](COc1ccc(F)cc1)CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161125689 402373907 /nfs/dbraw/zinc/37/39/07/402373907.db2.gz XUQPOJMRSQEGLZ-UWWQBHOKSA-N 0 3 323.408 2.192 20 70 DEIDHN O=C(NC[C@@H](O)CN1CCCCC1)[C@H]1CCCc2sccc21 ZINC000160029291 402335616 /nfs/dbraw/zinc/33/56/16/402335616.db2.gz SNLIXYIGTQDCLE-HIFRSBDPSA-N 0 3 322.474 2.131 20 70 DEIDHN NC(=O)c1cnc(N2CCC[C@@H]2CN2CCCCC2)c(Cl)c1 ZINC000160462339 295192837 /nfs/dbraw/zinc/19/28/37/295192837.db2.gz NLJDQVNECDXRDV-CYBMUJFWSA-N 0 3 322.840 2.289 20 70 DEIDHN CCN1CCCN(C(=O)N[C@H](C)CCc2ccc(O)cc2)CC1 ZINC000159573096 521609623 /nfs/dbraw/zinc/60/96/23/521609623.db2.gz MYKRDJIVLRBDJI-OAHLLOKOSA-N 0 3 319.449 2.451 20 70 DEIDHN O=C([C@@H]1CCCCO1)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000160378566 526467052 /nfs/dbraw/zinc/46/70/52/526467052.db2.gz MEHZQZAMWAUCKX-SJORKVTESA-N 0 3 302.418 2.336 20 70 DEIDHN Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000159863343 526574166 /nfs/dbraw/zinc/57/41/66/526574166.db2.gz RQUZATFTVLBMDU-MNOVXSKESA-N 0 3 308.426 2.177 20 70 DEIDHN O=C(/C=C/c1ccc(Cl)cc1)NC[C@@H](O)CN1CCCCC1 ZINC000160673109 527607649 /nfs/dbraw/zinc/60/76/49/527607649.db2.gz XWQFBYYKUVUPSF-YXMGTMDOSA-N 0 3 322.836 2.316 20 70 DEIDHN CCSc1cccc(C(=O)NCC2CCN(CCO)CC2)c1 ZINC000160008593 291661911 /nfs/dbraw/zinc/66/19/11/291661911.db2.gz FLORZQPOWBQJOY-UHFFFAOYSA-N 0 3 322.474 2.233 20 70 DEIDHN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)CN)cc1 ZINC000161031954 291671780 /nfs/dbraw/zinc/67/17/80/291671780.db2.gz INTMBSAGGQUKPK-HZPDHXFCSA-N 0 3 306.406 2.240 20 70 DEIDHN CCN1CCC(NC(=O)N2CCc3cccc(F)c3C2)CC1 ZINC000159709142 197361674 /nfs/dbraw/zinc/36/16/74/197361674.db2.gz AULXOZJDOOUFAV-UHFFFAOYSA-N 0 3 305.397 2.378 20 70 DEIDHN Cn1nccc1CNC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218238734 402295328 /nfs/dbraw/zinc/29/53/28/402295328.db2.gz HIOUHDDUWRWZHE-CYBMUJFWSA-N 0 3 308.426 2.157 20 70 DEIDHN O=C(CCc1ccccc1Cl)NC[C@@H](O)CN1CCCCC1 ZINC000160408657 402344094 /nfs/dbraw/zinc/34/40/94/402344094.db2.gz QRFURVNLNKBUMU-OAHLLOKOSA-N 0 3 324.852 2.236 20 70 DEIDHN CC(=O)N1CC[C@H](CN(C)CCC(=O)c2ccc(C)cc2)C1 ZINC000161024134 402369683 /nfs/dbraw/zinc/36/96/83/402369683.db2.gz JADPUQJHGZQXDX-MRXNPFEDSA-N 0 3 302.418 2.368 20 70 DEIDHN CCNC(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000161038016 402370488 /nfs/dbraw/zinc/37/04/88/402370488.db2.gz GAYRLTHGYFERSG-OAHLLOKOSA-N 0 3 313.405 2.472 20 70 DEIDHN CC(C)(C)[C@@H](CCO)NC(=O)NCC(C)(C)N1CCCCC1 ZINC000161246908 402378773 /nfs/dbraw/zinc/37/87/73/402378773.db2.gz MVUJFPPFAUAULP-CQSZACIVSA-N 0 3 313.486 2.347 20 70 DEIDHN CCN1CCCN(C(=O)N[C@H]2CCc3c2cccc3O)CC1 ZINC000159912587 402333659 /nfs/dbraw/zinc/33/36/59/402333659.db2.gz RAJLVQMNXIGBMO-HNNXBMFYSA-N 0 3 303.406 2.117 20 70 DEIDHN CCN1CCCN(C(=O)N[C@H](COC)c2ccc(C)o2)CC1 ZINC000159939196 402334299 /nfs/dbraw/zinc/33/42/99/402334299.db2.gz VJCXZZMQOOYGQV-CQSZACIVSA-N 0 3 309.410 2.013 20 70 DEIDHN CS[C@@H]1CCC[C@H](NC(=O)C2(N)Cc3ccccc3C2)C1 ZINC000159571054 286694670 /nfs/dbraw/zinc/69/46/70/286694670.db2.gz WCKBNIBNGHSIQY-LSDHHAIUSA-N 0 3 304.459 2.273 20 70 DEIDHN C[C@@H](c1ccccc1F)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000159364718 287151000 /nfs/dbraw/zinc/15/10/00/287151000.db2.gz MOKTWHRIDXRAAF-SUMWQHHRSA-N 0 3 319.424 2.301 20 70 DEIDHN CCN1CCN(C[C@@H](C)CNC(=O)[C@H](C)c2cccs2)CC1 ZINC000160118343 521685039 /nfs/dbraw/zinc/68/50/39/521685039.db2.gz JQOJHJIMJQQRFK-LSDHHAIUSA-N 0 3 323.506 2.241 20 70 DEIDHN Cc1cc(C)cc(C[C@@H](C)NC(=O)CNC[C@H]2CCCO2)c1 ZINC000161347365 524396573 /nfs/dbraw/zinc/39/65/73/524396573.db2.gz YSZMMPQZPCBTDP-NVXWUHKLSA-N 0 3 304.434 2.119 20 70 DEIDHN C[C@@H](NCc1ccccc1CN1CCOCC1)c1cnn(C)c1 ZINC000160463427 525537668 /nfs/dbraw/zinc/53/76/68/525537668.db2.gz AAGCKXDZLYMVQY-OAHLLOKOSA-N 0 3 314.433 2.103 20 70 DEIDHN N[C@@H](Cc1ccccc1)C(=O)NCCOC1CCCCCC1 ZINC000160087291 527335867 /nfs/dbraw/zinc/33/58/67/527335867.db2.gz MRXNDRJIYHYNEV-KRWDZBQOSA-N 0 3 304.434 2.412 20 70 DEIDHN COCCCN(C)CCNC(=O)Nc1ccnc(C)c1Cl ZINC000159831049 539584104 /nfs/dbraw/zinc/58/41/04/539584104.db2.gz FFBZUOXEESQPFE-UHFFFAOYSA-N 0 3 314.817 2.133 20 70 DEIDHN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H]2CCCSC2)c1 ZINC000159597215 186129613 /nfs/dbraw/zinc/12/96/13/186129613.db2.gz BNACSXSNQRFQDJ-DGCLKSJQSA-N 0 3 314.476 2.141 20 70 DEIDHN Cc1cccc([C@@H](C)C(=O)NCCCCN2CCN(C)CC2)c1 ZINC000159780761 355961896 /nfs/dbraw/zinc/96/18/96/355961896.db2.gz VRQGGHFGBHZOOV-QGZVFWFLSA-N 0 3 317.477 2.242 20 70 DEIDHN Cc1nnc(-c2ccccc2C(=O)N(C)[C@H]2CCCN(C)C2)o1 ZINC000159916713 197373264 /nfs/dbraw/zinc/37/32/64/197373264.db2.gz TVANDJCAMUZTEY-ZDUSSCGKSA-N 0 3 314.389 2.211 20 70 DEIDHN COC(=O)c1csc(NC(=O)N(C)CCN2CCCC2)c1 ZINC000160809925 291670010 /nfs/dbraw/zinc/67/00/10/291670010.db2.gz RGJKPJBPOGBQFU-UHFFFAOYSA-N 0 3 311.407 2.094 20 70 DEIDHN CSCC[C@@H](N)C(=O)NCCc1c[nH]c2c1cccc2C ZINC000159560852 197361317 /nfs/dbraw/zinc/36/13/17/197361317.db2.gz SJAXTJMEPJRLMH-CQSZACIVSA-N 0 3 305.447 2.215 20 70 DEIDHN CC[C@H](C)[C@@H](N)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000161206079 144797593 /nfs/dbraw/zinc/79/75/93/144797593.db2.gz DYHJCVCXLDWQRN-OIBJUYFYSA-N 0 3 309.357 2.194 20 70 DEIDHN C[C@@H]1[C@H](C)NCCN1C(=O)Cc1ccccc1Br ZINC000217268423 402291385 /nfs/dbraw/zinc/29/13/85/402291385.db2.gz VVJRVDBMKYFFQG-WDEREUQCSA-N 0 3 311.223 2.200 20 70 DEIDHN CN(C)Cc1ccc(CNC(=O)N[C@H](CCO)C(C)(C)C)cc1 ZINC000161433667 402387039 /nfs/dbraw/zinc/38/70/39/402387039.db2.gz RLFSRLGGWRYJPK-MRXNPFEDSA-N 0 3 321.465 2.345 20 70 DEIDHN CCc1ccc([C@H](C)NC2CCN(CC(=O)N(C)C)CC2)o1 ZINC000160456010 402346304 /nfs/dbraw/zinc/34/63/04/402346304.db2.gz LZVBNTSOKZJRCF-ZDUSSCGKSA-N 0 3 307.438 2.045 20 70 DEIDHN CCC[C@H](C(=O)NCC1CCN(CCO)CC1)c1ccccc1 ZINC000160720536 402358343 /nfs/dbraw/zinc/35/83/43/402358343.db2.gz NUUZPJYMMKVRPE-SFHVURJKSA-N 0 3 318.461 2.391 20 70 DEIDHN CCO[C@H]1C[C@H](N(C)C(=O)NC2CCN(CC)CC2)C12CCC2 ZINC000160752774 402359500 /nfs/dbraw/zinc/35/95/00/402359500.db2.gz RCCSWWVHLYRUIL-HOTGVXAUSA-N 0 3 323.481 2.460 20 70 DEIDHN CC(C)(C)C(=O)N1CCC(CN2CCOC[C@@H]2C2CC2)CC1 ZINC000161273020 402380357 /nfs/dbraw/zinc/38/03/57/402380357.db2.gz LXEAXXYCNQSLNV-MRXNPFEDSA-N 0 3 308.466 2.382 20 70 DEIDHN CC[C@@H](C(=O)N1CCN(Cc2ccccc2Cl)CC1)N(C)C ZINC000161385155 402385949 /nfs/dbraw/zinc/38/59/49/402385949.db2.gz BYCQJWFWXGQLIW-INIZCTEOSA-N 0 3 323.868 2.324 20 70 DEIDHN COc1ccc(OC)c([C@H](C)N[C@H]2CCc3nc(C)nn3C2)c1 ZINC000160326797 274115520 /nfs/dbraw/zinc/11/55/20/274115520.db2.gz BWEPIEKYYFBSEE-AAEUAGOBSA-N 0 3 316.405 2.269 20 70 DEIDHN CCC(CC)(CNCC(=O)N(C)C1CCCCC1)C(=O)OC ZINC000159679062 517537649 /nfs/dbraw/zinc/53/76/49/517537649.db2.gz HMSKAIXXKZIFSJ-UHFFFAOYSA-N 0 3 312.454 2.347 20 70 DEIDHN CC(C)n1nccc1C(=O)NCCN(C)Cc1ccccc1 ZINC000161460507 520093050 /nfs/dbraw/zinc/09/30/50/520093050.db2.gz NLDHEPKUEIYVCH-UHFFFAOYSA-N 0 3 300.406 2.326 20 70 DEIDHN CCN1CCCN(C(=O)NCc2ccc(OC(C)C)nc2)CC1 ZINC000159642034 521607953 /nfs/dbraw/zinc/60/79/53/521607953.db2.gz HGXDAHVPUDLDTC-UHFFFAOYSA-N 0 3 320.437 2.106 20 70 DEIDHN Cc1cc(Cl)cc(C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160611979 524857310 /nfs/dbraw/zinc/85/73/10/524857310.db2.gz XHKLHPFPUCRBLL-OAHLLOKOSA-N 0 3 310.825 2.225 20 70 DEIDHN CCN1CCCN(C(=O)NCc2ccccc2COC)CC1 ZINC000159617312 186130956 /nfs/dbraw/zinc/13/09/56/186130956.db2.gz XPBJCMULNSJPII-UHFFFAOYSA-N 0 3 305.422 2.070 20 70 DEIDHN CCOC(=O)CCCCN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161458925 291675117 /nfs/dbraw/zinc/67/51/17/291675117.db2.gz ZVHSXNQUUJNQGG-CYBMUJFWSA-N 0 3 311.344 2.355 20 70 DEIDHN CSCC[C@@H](N)C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1 ZINC000159500083 197358446 /nfs/dbraw/zinc/35/84/46/197358446.db2.gz QDDRLUSINMJODP-CQSZACIVSA-N 0 3 323.462 2.152 20 70 DEIDHN CC(C)[C@H]1OCCC[C@H]1CNC(=O)N(CCN(C)C)C(C)C ZINC000159463639 197356047 /nfs/dbraw/zinc/35/60/47/197356047.db2.gz BHGVRBXYMPQYEX-JKSUJKDBSA-N 0 3 313.486 2.419 20 70 DEIDHN NC(=O)[C@@H]1CCCN1C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000159386486 402322919 /nfs/dbraw/zinc/32/29/19/402322919.db2.gz JMTKBPNWSLMFDX-INIZCTEOSA-N 0 3 321.852 2.254 20 70 DEIDHN C[C@@H]1NCCN(C(=O)Cc2ccccc2Br)[C@H]1C ZINC000217268420 402291472 /nfs/dbraw/zinc/29/14/72/402291472.db2.gz VVJRVDBMKYFFQG-QWRGUYRKSA-N 0 3 311.223 2.200 20 70 DEIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000160526429 402349257 /nfs/dbraw/zinc/34/92/57/402349257.db2.gz UTSJRMYUNBJJIS-OLZOCXBDSA-N 0 3 305.422 2.481 20 70 DEIDHN CCO[C@H]1C[C@H](N(C)C(=O)NC2CCN(C)CC2)C12CCC2 ZINC000160714346 402358090 /nfs/dbraw/zinc/35/80/90/402358090.db2.gz GHLTUMDJLGWORJ-GJZGRUSLSA-N 0 3 309.454 2.070 20 70 DEIDHN CSCC[C@@H](N)C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000161022718 402370030 /nfs/dbraw/zinc/37/00/30/402370030.db2.gz XNBMUAPFLJNRMQ-AXTRIDKLSA-N 0 3 300.374 2.017 20 70 DEIDHN O[C@H](COc1ccccc1)CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161124881 402374147 /nfs/dbraw/zinc/37/41/47/402374147.db2.gz DQWBVIJIIXQVII-SOLBZPMBSA-N 0 3 305.418 2.053 20 70 DEIDHN O=C(NC1CCN(C2CC2)CC1)c1csc([C@@H]2CCCO2)n1 ZINC000161294017 402380615 /nfs/dbraw/zinc/38/06/15/402380615.db2.gz NMJWMYPKVIDMND-AWEZNQCLSA-N 0 3 321.446 2.351 20 70 DEIDHN FC(F)(F)Cn1ccnc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159627228 402326992 /nfs/dbraw/zinc/32/69/92/402326992.db2.gz DZVMXEBPIHYXNR-RTXFEEFZSA-N 0 3 315.339 2.493 20 70 DEIDHN CCC(CC)(CNCC(=O)NCC1CCCCC1)C(=O)OC ZINC000159679344 402328485 /nfs/dbraw/zinc/32/84/85/402328485.db2.gz SGMFMOGNUNVIOH-UHFFFAOYSA-N 0 3 312.454 2.252 20 70 DEIDHN CC[C@@H](NC(=O)N1CCCN(CC)CC1)c1c(C)nn(C)c1C ZINC000159925560 402333788 /nfs/dbraw/zinc/33/37/88/402333788.db2.gz SQHPUXOHVGROBW-OAHLLOKOSA-N 0 3 321.469 2.225 20 70 DEIDHN COc1ccc(N(C)C(=O)CNC[C@H]2CCCO2)cc1Cl ZINC000161440878 286322931 /nfs/dbraw/zinc/32/29/31/286322931.db2.gz YCOFOLOIIQUDRX-GFCCVEGCSA-N 0 3 312.797 2.080 20 70 DEIDHN CC(C)N(CCN(C)C)C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000159366457 279430726 /nfs/dbraw/zinc/43/07/26/279430726.db2.gz QEZUMQIIBHPCGD-CVEARBPZSA-N 0 3 321.469 2.348 20 70 DEIDHN CC(C)Oc1cc(CNC(=O)NC[C@H](C)N(C)C2CC2)ccn1 ZINC000159863626 519777867 /nfs/dbraw/zinc/77/78/67/519777867.db2.gz YNDCKFHAEXMYPM-ZDUSSCGKSA-N 0 3 320.437 2.151 20 70 DEIDHN CCOCCN(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000159957423 519903165 /nfs/dbraw/zinc/90/31/65/519903165.db2.gz ACBSXNFOWNYYDS-RDJZCZTQSA-N 0 3 319.449 2.185 20 70 DEIDHN CCOc1cc(CCCNC(=O)[C@@H]2CCCCN2)ccc1OC ZINC000160062393 520693401 /nfs/dbraw/zinc/69/34/01/520693401.db2.gz YAZUQIJMZFECLO-HNNXBMFYSA-N 0 3 320.433 2.285 20 70 DEIDHN CCc1nnc(CNC(C)(C)CN(C)Cc2ccccc2)[nH]1 ZINC000159514248 522341764 /nfs/dbraw/zinc/34/17/64/522341764.db2.gz SPLHFCYDOJDBHP-UHFFFAOYSA-N 0 3 301.438 2.367 20 70 DEIDHN CN(CCNC(=O)C[C@@H]1CSCCS1)Cc1ccccc1 ZINC000160677325 522847144 /nfs/dbraw/zinc/84/71/44/522847144.db2.gz QJHSLBVIGXMWAA-OAHLLOKOSA-N 0 3 324.515 2.473 20 70 DEIDHN O=C(CNC[C@@H]1CCCO1)NC1(c2cccc(Cl)c2)CC1 ZINC000160522237 526880614 /nfs/dbraw/zinc/88/06/14/526880614.db2.gz GSVZSUBUBXELJH-AWEZNQCLSA-N 0 3 308.809 2.214 20 70 DEIDHN CCCn1nccc1CNC[C@H]1CCN(CC(F)(F)F)C1 ZINC000160089738 539584854 /nfs/dbraw/zinc/58/48/54/539584854.db2.gz IIONRLNQVMHOCP-GFCCVEGCSA-N 0 3 304.360 2.267 20 70 DEIDHN C[C@H](C(=O)N(C)c1ccccc1)N1CCN(c2ccncc2)CC1 ZINC000161320235 539591331 /nfs/dbraw/zinc/59/13/31/539591331.db2.gz UHULVBAXCGAUHD-MRXNPFEDSA-N 0 3 324.428 2.255 20 70 DEIDHN CCc1nn(C)c(Cl)c1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000160265322 197396991 /nfs/dbraw/zinc/39/69/91/197396991.db2.gz YXKXBFUUKRBQSY-NSHDSACASA-N 0 3 312.845 2.240 20 70 DEIDHN CCC1(CC)[C@H](N[C@@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1OC ZINC000160103394 197386171 /nfs/dbraw/zinc/38/61/71/197386171.db2.gz HRINRWZUMHYECG-IJLUTSLNSA-N 0 3 322.371 2.333 20 70 DEIDHN O=C(CNCC1CC1)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000159422637 197352656 /nfs/dbraw/zinc/35/26/56/197352656.db2.gz ZEMOEHVLNKCMQO-SJORKVTESA-N 0 3 318.417 2.307 20 70 DEIDHN O=C(CNCC1CC1)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000159422465 197352163 /nfs/dbraw/zinc/35/21/63/197352163.db2.gz ZEMOEHVLNKCMQO-IAGOWNOFSA-N 0 3 318.417 2.307 20 70 DEIDHN CCN1CCCN(C(=O)N[C@H]2CCOC3(CCCC3)C2)CC1 ZINC000160012462 285215200 /nfs/dbraw/zinc/21/52/00/285215200.db2.gz JWWNBELABRQFDB-HNNXBMFYSA-N 0 3 309.454 2.215 20 70 DEIDHN C[C@@H](CC(=O)NC[C@@H](O)CN1CCCCC1)c1ccc(F)cc1 ZINC000160446984 402345729 /nfs/dbraw/zinc/34/57/29/402345729.db2.gz KHCPHNZCSNHSRI-WMLDXEAASA-N 0 3 322.424 2.282 20 70 DEIDHN COc1ccc([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)c(OC)c1 ZINC000160519884 402349528 /nfs/dbraw/zinc/34/95/28/402349528.db2.gz FCMRPRYIUAIWDK-DGCLKSJQSA-N 0 3 316.405 2.269 20 70 DEIDHN C[C@H](NCc1ccc(CN2CCOCC2)cc1)c1cnn(C)c1 ZINC000160599430 402353226 /nfs/dbraw/zinc/35/32/26/402353226.db2.gz AFKJMGBBWMWTSC-HNNXBMFYSA-N 0 3 314.433 2.103 20 70 DEIDHN Cc1ccccc1[C@@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)CCO1 ZINC000160841459 402362611 /nfs/dbraw/zinc/36/26/11/402362611.db2.gz RKZBSAKTPFADSP-OALUTQOASA-N 0 3 324.424 2.465 20 70 DEIDHN CCOC(=O)CCCCN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161458807 402388203 /nfs/dbraw/zinc/38/82/03/402388203.db2.gz ZVHSXNQUUJNQGG-ZDUSSCGKSA-N 0 3 311.344 2.355 20 70 DEIDHN CC(C)C[C@H](N)C(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000161329163 402382576 /nfs/dbraw/zinc/38/25/76/402382576.db2.gz FKEYBEUABAZPRU-SJORKVTESA-N 0 3 304.434 2.425 20 70 DEIDHN C[C@@H](C(=O)N[C@H]1CCN(c2ccccn2)C1)N1CCCCCC1 ZINC000161358197 402384430 /nfs/dbraw/zinc/38/44/30/402384430.db2.gz HLLNKROKOCFZDD-HOTGVXAUSA-N 0 3 316.449 2.041 20 70 DEIDHN CC[C@H](C(=O)N1CCN(Cc2ccccc2Cl)CC1)N(C)C ZINC000161385284 402385993 /nfs/dbraw/zinc/38/59/93/402385993.db2.gz BYCQJWFWXGQLIW-MRXNPFEDSA-N 0 3 323.868 2.324 20 70 DEIDHN CCC(CC)(CNCC(=O)N[C@H]1CCCC[C@@H]1C)C(=O)OC ZINC000159669949 402328398 /nfs/dbraw/zinc/32/83/98/402328398.db2.gz OXRHEWQEQDJENG-KBPBESRZSA-N 0 3 312.454 2.250 20 70 DEIDHN CSC[C@@H](CCO)N[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000160262438 402339506 /nfs/dbraw/zinc/33/95/06/402339506.db2.gz JCULFYSCXLOXLU-TZMCWYRMSA-N 0 3 324.446 2.408 20 70 DEIDHN CN(C)[C@@H]1CCN(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000160354815 522053847 /nfs/dbraw/zinc/05/38/47/522053847.db2.gz PKJRSORSLDBBBZ-ZBFHGGJFSA-N 0 3 319.405 2.022 20 70 DEIDHN CC[C@@H]1CCCCN1CCNC(=O)NCCc1ccncc1C ZINC000161389475 523169316 /nfs/dbraw/zinc/16/93/16/523169316.db2.gz QEYVYQZUOFXWNV-QGZVFWFLSA-N 0 3 318.465 2.496 20 70 DEIDHN O=C([C@H]1CCCCO1)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000160378768 526536032 /nfs/dbraw/zinc/53/60/32/526536032.db2.gz MEHZQZAMWAUCKX-IAGOWNOFSA-N 0 3 302.418 2.336 20 70 DEIDHN O=C(N[C@H]1CCO[C@@H](C2CC2)C1)N1CCN(C2CCCC2)CC1 ZINC000160406378 527057007 /nfs/dbraw/zinc/05/70/07/527057007.db2.gz AUBUMCAFSLFRFA-DOTOQJQBSA-N 0 3 321.465 2.214 20 70 DEIDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(F)cc1N(C)C)CC2 ZINC000160510038 282118373 /nfs/dbraw/zinc/11/83/73/282118373.db2.gz BPURFPFCWWUGFH-RISCZKNCSA-N 0 3 317.412 2.457 20 70 DEIDHN O=C(N[C@H]1CCN(CC2CC2)C1)N1CCc2ccccc2CC1 ZINC000160624199 355964837 /nfs/dbraw/zinc/96/48/37/355964837.db2.gz ZDBIEWLPQDRMOH-SFHVURJKSA-N 0 3 313.445 2.281 20 70 DEIDHN Cc1ccc(C(=O)NCC2CCN(CCO)CC2)cc1Cl ZINC000160657205 197429230 /nfs/dbraw/zinc/42/92/30/197429230.db2.gz SATFNFXQZPUDMS-UHFFFAOYSA-N 0 3 310.825 2.083 20 70 DEIDHN COCCC1(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CCC1 ZINC000159633832 291656734 /nfs/dbraw/zinc/65/67/34/291656734.db2.gz VNTSHFHDFUTCGQ-QGZVFWFLSA-N 0 3 318.461 2.482 20 70 DEIDHN CCO[C@@H]1C[C@@H](N(C)C(=O)NC2CCN(CC)CC2)C12CCC2 ZINC000160752903 402359475 /nfs/dbraw/zinc/35/94/75/402359475.db2.gz RCCSWWVHLYRUIL-HZPDHXFCSA-N 0 3 323.481 2.460 20 70 DEIDHN CC(C)Oc1cccc([C@H](O)CNC(=O)C2(N)CCCCC2)c1 ZINC000160964681 402367298 /nfs/dbraw/zinc/36/72/98/402367298.db2.gz KIXWJNJGPKBZQE-MRXNPFEDSA-N 0 3 320.433 2.285 20 70 DEIDHN CCC[NH+]1CCC(NC(=O)c2cc(OC)c([O-])c(OC)c2)CC1 ZINC000161061669 402371101 /nfs/dbraw/zinc/37/11/01/402371101.db2.gz NEFRAJZNUOLEQU-UHFFFAOYSA-N 0 3 322.405 2.014 20 70 DEIDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)c1ccnn1C ZINC000161241723 402378926 /nfs/dbraw/zinc/37/89/26/402378926.db2.gz TYCHRLHOFGXHRB-UHFFFAOYSA-N 0 3 300.406 2.061 20 70 DEIDHN CC[C@H](N)C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000159769057 402330248 /nfs/dbraw/zinc/33/02/48/402330248.db2.gz XLBZLVNLDDLSTC-ZDUSSCGKSA-N 0 3 316.361 2.202 20 70 DEIDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccccn2)oc1C ZINC000160112923 402336380 /nfs/dbraw/zinc/33/63/80/402336380.db2.gz VBGIMAYPJKSMJG-UHFFFAOYSA-N 0 3 301.390 2.495 20 70 DEIDHN C[C@@H](N[C@@H]1CCCN(c2ccccc2F)C1=O)[C@@H]1CCOC1 ZINC000160202546 402338211 /nfs/dbraw/zinc/33/82/11/402338211.db2.gz HUSKGZVCFXMTBH-UMVBOHGHSA-N 0 3 306.381 2.336 20 70 DEIDHN COc1ccc(N(C)C(=O)CNC[C@@H]2CCCO2)cc1Cl ZINC000161440746 286322862 /nfs/dbraw/zinc/32/28/62/286322862.db2.gz YCOFOLOIIQUDRX-LBPRGKRZSA-N 0 3 312.797 2.080 20 70 DEIDHN COc1ccc([C@H](C)N[C@H]2CCc3nc(C)nn3C2)cc1F ZINC000160384187 274117491 /nfs/dbraw/zinc/11/74/91/274117491.db2.gz QTUZZEAFHMKURY-GWCFXTLKSA-N 0 3 304.369 2.400 20 70 DEIDHN CC(C)c1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000160654848 519835050 /nfs/dbraw/zinc/83/50/50/519835050.db2.gz SQYLHYWWBMDLIP-QGZVFWFLSA-N 0 3 304.434 2.387 20 70 DEIDHN CCCN1CCCN(C(=O)CCc2nc(C(C)C)no2)CC1 ZINC000160397850 519848865 /nfs/dbraw/zinc/84/88/65/519848865.db2.gz FSGKSJGXZIMZJP-UHFFFAOYSA-N 0 3 308.426 2.070 20 70 DEIDHN CCN1CCCN(C(=O)NC[C@@H](C)Oc2cccc(C)c2)CC1 ZINC000159914842 521607797 /nfs/dbraw/zinc/60/77/97/521607797.db2.gz RHMVXYWWCDEPNS-MRXNPFEDSA-N 0 3 319.449 2.500 20 70 DEIDHN CN(CCCNC(=O)NO[C@H]1CCCCO1)Cc1ccccc1 ZINC000161477998 522762627 /nfs/dbraw/zinc/76/26/27/522762627.db2.gz VEUZXKPQHZXBCL-INIZCTEOSA-N 0 3 321.421 2.266 20 70 DEIDHN COCCOC1CCN(Cc2c(C)nc3ccccn32)CC1 ZINC000160481810 523973801 /nfs/dbraw/zinc/97/38/01/523973801.db2.gz SXECMERYHZYXOS-UHFFFAOYSA-N 0 3 303.406 2.270 20 70 DEIDHN O=C([C@@H]1CCCCO1)N1CCC[C@H](NCc2ccccc2)C1 ZINC000160378688 526466453 /nfs/dbraw/zinc/46/64/53/526466453.db2.gz MEHZQZAMWAUCKX-IRXDYDNUSA-N 0 3 302.418 2.336 20 70 DEIDHN CC(C)(CNC(=O)CNC[C@H]1CCCO1)Cc1ccccc1 ZINC000159487117 527107431 /nfs/dbraw/zinc/10/74/31/527107431.db2.gz GTMJJUCTLTWZHU-MRXNPFEDSA-N 0 3 304.434 2.140 20 70 DEIDHN Cc1cc(C)cc(NC(=O)CN2CCN(c3ccncc3)CC2)c1 ZINC000161297227 539590659 /nfs/dbraw/zinc/59/06/59/539590659.db2.gz UZSIHZXNLJVKIY-UHFFFAOYSA-N 0 3 324.428 2.459 20 70 DEIDHN COc1ccc([C@@H](C)[C@@H](C)NCC(=O)NCC(F)(F)F)cc1 ZINC000160586689 197423769 /nfs/dbraw/zinc/42/37/69/197423769.db2.gz YZENRXCMZLLDKX-WDEREUQCSA-N 0 3 318.339 2.455 20 70 DEIDHN COCCN1CCC(NC(=O)C2CCC(F)(F)CC2)CC1 ZINC000160300236 197399556 /nfs/dbraw/zinc/39/95/56/197399556.db2.gz WVAGPJVLTRIMBX-UHFFFAOYSA-N 0 3 304.381 2.039 20 70 DEIDHN C[C@H](CCO)NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000160203332 197392835 /nfs/dbraw/zinc/39/28/35/197392835.db2.gz RKSNXOQYXHWTIK-HUUCEWRRSA-N 0 3 319.449 2.282 20 70 DEIDHN CCN(CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)OC ZINC000160003784 197379685 /nfs/dbraw/zinc/37/96/85/197379685.db2.gz JHFQMZUZDHQTCH-AWEZNQCLSA-N 0 3 305.422 2.181 20 70 DEIDHN C[C@@H]1CCCN1C(=O)CCN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161499283 291675506 /nfs/dbraw/zinc/67/55/06/291675506.db2.gz HEJDMOLAJDWOAT-RISCZKNCSA-N 0 3 322.371 2.023 20 70 DEIDHN O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)[C@@H]1CCCCN1 ZINC000159420565 197352325 /nfs/dbraw/zinc/35/23/25/197352325.db2.gz XGDNSKQKDFBURG-YESZJQIVSA-N 0 3 318.417 2.450 20 70 DEIDHN CN(C)Cc1cccc(NC(=O)C(=O)N2CCC3(CCC3)C2)c1 ZINC000159415075 197352331 /nfs/dbraw/zinc/35/23/31/197352331.db2.gz UZIDMKRVCNSTRQ-UHFFFAOYSA-N 0 3 315.417 2.089 20 70 DEIDHN CCn1ccnc1CNC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000217799215 402293942 /nfs/dbraw/zinc/29/39/42/402293942.db2.gz SECXRIBBKXNSOS-UHFFFAOYSA-N 0 3 308.426 2.392 20 70 DEIDHN CC(C)(C)OC(=O)N1CCC[C@@H](CNCc2cncnc2)C1 ZINC000218175035 402294926 /nfs/dbraw/zinc/29/49/26/402294926.db2.gz MHCKPSMNCHDVRS-ZDUSSCGKSA-N 0 3 306.410 2.213 20 70 DEIDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc3c(c1)OCCO3)CC2 ZINC000160451757 402345740 /nfs/dbraw/zinc/34/57/40/402345740.db2.gz VJNMZENUSIGUQX-FZMZJTMJSA-N 0 3 314.389 2.023 20 70 DEIDHN CCC(CC)c1cc(C(=O)NC[C@H](O)CN2CCCCC2)on1 ZINC000160504763 402349012 /nfs/dbraw/zinc/34/90/12/402349012.db2.gz TZBPSJGRJSIJJO-AWEZNQCLSA-N 0 3 323.437 2.155 20 70 DEIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000160529779 402349509 /nfs/dbraw/zinc/34/95/09/402349509.db2.gz BTPCCNGIQFZLBR-KGLIPLIRSA-N 0 3 312.454 2.155 20 70 DEIDHN CCCCN(C)CCNC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160743165 402359173 /nfs/dbraw/zinc/35/91/73/402359173.db2.gz BDSYWBMSTMPQIM-UHFFFAOYSA-N 0 3 321.347 2.299 20 70 DEIDHN Cc1ccc2c(c1)[C@@H](NC(=O)N(CCN(C)C)C(C)C)CO2 ZINC000159715202 402329206 /nfs/dbraw/zinc/32/92/06/402329206.db2.gz ZAOSONRVWAVJSA-HNNXBMFYSA-N 0 3 305.422 2.410 20 70 DEIDHN C[C@@H](CNC(=O)N1CCc2cccc(F)c2C1)N(C)C1CC1 ZINC000159798018 402331059 /nfs/dbraw/zinc/33/10/59/402331059.db2.gz UPKKGHIFLZSGLM-LBPRGKRZSA-N 0 3 305.397 2.376 20 70 DEIDHN CCO[C@H]1C[C@H](NC(=O)N2CCCN(CC)CC2)C12CCC2 ZINC000159907437 402333080 /nfs/dbraw/zinc/33/30/80/402333080.db2.gz QUEBABFMOUDDHM-GJZGRUSLSA-N 0 3 309.454 2.071 20 70 DEIDHN CCN1CCCC[C@H]1CNC(=O)NCC1(CCOC)CCC1 ZINC000160100418 402336343 /nfs/dbraw/zinc/33/63/43/402336343.db2.gz QPPATQSYBPFDFF-HNNXBMFYSA-N 0 3 311.470 2.367 20 70 DEIDHN CSC[C@H](CCO)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000160262044 402339235 /nfs/dbraw/zinc/33/92/35/402339235.db2.gz JCULFYSCXLOXLU-JSGCOSHPSA-N 0 3 324.446 2.408 20 70 DEIDHN Cc1cnccc1CCNC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000159920163 279026681 /nfs/dbraw/zinc/02/66/81/279026681.db2.gz LTGNRZYKVJVRFV-GOEBONIOSA-N 0 3 318.465 2.352 20 70 DEIDHN CC[C@H]1CCCCN1CCNC(=O)N(C)Cc1cccn1C ZINC000160474561 523023763 /nfs/dbraw/zinc/02/37/63/523023763.db2.gz FNQZWMZQLLSGSZ-HNNXBMFYSA-N 0 3 306.454 2.431 20 70 DEIDHN COc1ccc(CNC(=O)C2(N)CC2)c(OC2CCCC2)c1 ZINC000160898747 524045623 /nfs/dbraw/zinc/04/56/23/524045623.db2.gz XUTXAORUEBJWOU-UHFFFAOYSA-N 0 3 304.390 2.124 20 70 DEIDHN Cc1cccc(NC(=O)CN2CCN(c3ccncc3)CC2)c1C ZINC000161291265 539590432 /nfs/dbraw/zinc/59/04/32/539590432.db2.gz ONNTZSJZRIADMS-UHFFFAOYSA-N 0 3 324.428 2.459 20 70 DEIDHN Cc1csc(C(C)(C)NC(=O)N[C@H]2CCN(CC3CC3)C2)n1 ZINC000160770899 355966886 /nfs/dbraw/zinc/96/68/86/355966886.db2.gz NXHNBYXRKSSVRJ-ZDUSSCGKSA-N 0 3 322.478 2.470 20 70 DEIDHN CC[C@H](C(=O)N1CCC(N(C)c2ccccc2)CC1)N(C)C ZINC000159957403 197376319 /nfs/dbraw/zinc/37/63/19/197376319.db2.gz CZESAZHPAGGCKU-QGZVFWFLSA-N 0 3 303.450 2.454 20 70 DEIDHN C[C@H]1C[C@H](NC(=O)N2CCOC[C@@H]2C)CN1Cc1ccccc1 ZINC000159883853 197371250 /nfs/dbraw/zinc/37/12/50/197371250.db2.gz QTSFKULCQGABEZ-ZOBUZTSGSA-N 0 3 317.433 2.080 20 70 DEIDHN NC(=O)[C@H]1CCCN1C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000159386347 402322671 /nfs/dbraw/zinc/32/26/71/402322671.db2.gz JMTKBPNWSLMFDX-MRXNPFEDSA-N 0 3 321.852 2.254 20 70 DEIDHN CN(C)[C@@H](CNC(=O)CN(C)CCC1CC1)c1ccccc1 ZINC000159426493 402323179 /nfs/dbraw/zinc/32/31/79/402323179.db2.gz ALSVJHNEWYTJNP-KRWDZBQOSA-N 0 3 303.450 2.137 20 70 DEIDHN CCOC(=O)C[C@@H](C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000160844070 402362605 /nfs/dbraw/zinc/36/26/05/402362605.db2.gz QQPKSBADNYCUKE-CQSZACIVSA-N 0 3 318.417 2.354 20 70 DEIDHN CC[C@@H](C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1)N(C)C ZINC000161373961 402385233 /nfs/dbraw/zinc/38/52/33/402385233.db2.gz CVLIVVXTIYGERB-HNNXBMFYSA-N 0 3 300.406 2.375 20 70 DEIDHN CCN1CCCN(C(=O)N[C@H]2CCc3c2cccc3OC)CC1 ZINC000159987829 402334977 /nfs/dbraw/zinc/33/49/77/402334977.db2.gz PLGFTUKFNPJXMB-INIZCTEOSA-N 0 3 317.433 2.420 20 70 DEIDHN CSC[C@H](CCO)N[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000160262166 402339469 /nfs/dbraw/zinc/33/94/69/402339469.db2.gz JCULFYSCXLOXLU-OCCSQVGLSA-N 0 3 324.446 2.408 20 70 DEIDHN CC(C)Oc1cc(CNC(=O)NC[C@@H](C)N(C)C2CC2)ccn1 ZINC000159863489 519777778 /nfs/dbraw/zinc/77/77/78/519777778.db2.gz YNDCKFHAEXMYPM-CYBMUJFWSA-N 0 3 320.437 2.151 20 70 DEIDHN CCN1CCC(NC(=O)NCc2ccnc(OC(C)C)c2)CC1 ZINC000159574826 521574721 /nfs/dbraw/zinc/57/47/21/521574721.db2.gz YCYKUBWHZNCMQK-UHFFFAOYSA-N 0 3 320.437 2.152 20 70 DEIDHN CC[C@H](N)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000160051661 522327472 /nfs/dbraw/zinc/32/74/72/522327472.db2.gz GNWBPGOOCSAYKL-LBPRGKRZSA-N 0 3 311.223 2.334 20 70 DEIDHN CSCC[C@@H](N)C(=O)NCCOc1ccccc1C(C)C ZINC000159840862 525541635 /nfs/dbraw/zinc/54/16/35/525541635.db2.gz VJTPQVMKEVKVLZ-CQSZACIVSA-N 0 3 310.463 2.385 20 70 DEIDHN COc1cc(C)cc(CNC(=O)NC[C@@H]2CCCN(C)C2)c1 ZINC000159799785 539584062 /nfs/dbraw/zinc/58/40/62/539584062.db2.gz CRRUVKWFIAGBBW-AWEZNQCLSA-N 0 3 305.422 2.145 20 70 DEIDHN O=C(NC[C@@H](O)c1cc2ccccc2s1)[C@@H]1CCCCN1 ZINC000160274106 197397079 /nfs/dbraw/zinc/39/70/79/197397079.db2.gz IABKQBWJKPKVGA-QWHCGFSZSA-N 0 3 304.415 2.193 20 70 DEIDHN COc1ccc(C2(CNC(=O)[C@@H](C)N)CCCCC2)cc1OC ZINC000160140172 197388906 /nfs/dbraw/zinc/38/89/06/197388906.db2.gz RJRMOFGYTCMPPV-CYBMUJFWSA-N 0 3 320.433 2.369 20 70 DEIDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1cn[nH]c(=O)c1Cl ZINC000160243834 197394552 /nfs/dbraw/zinc/39/45/52/197394552.db2.gz DQDTWUJPTJNRMX-RISCZKNCSA-N 0 3 318.808 2.356 20 70 DEIDHN CCn1nccc1CNCC1(N2CCOCC2)CCCCC1 ZINC000159882515 197371207 /nfs/dbraw/zinc/37/12/07/197371207.db2.gz FOVPHIKNJVOUNZ-UHFFFAOYSA-N 0 3 306.454 2.028 20 70 DEIDHN C[C@@H](C(=O)N1CCc2ccccc2C1)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159773303 197363523 /nfs/dbraw/zinc/36/35/23/197363523.db2.gz LDJGIVLNYFJOSU-WBAXXEDZSA-N 0 3 316.445 2.053 20 70 DEIDHN CSCC[C@H](N)C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 ZINC000159496298 197357532 /nfs/dbraw/zinc/35/75/32/197357532.db2.gz NJJCAFOIVJJLFC-AWEZNQCLSA-N 0 3 323.462 2.152 20 70 DEIDHN CN(C)c1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c(F)c1 ZINC000159455706 197355153 /nfs/dbraw/zinc/35/51/53/197355153.db2.gz RYLDBHWVCRCVFI-GXTWGEPZSA-N 0 3 305.397 2.200 20 70 DEIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000160529902 402349096 /nfs/dbraw/zinc/34/90/96/402349096.db2.gz BTPCCNGIQFZLBR-KBPBESRZSA-N 0 3 312.454 2.155 20 70 DEIDHN Cc1cccc(-c2nc(CC(=O)N3CCCNCC3)cs2)c1 ZINC000160873522 402363716 /nfs/dbraw/zinc/36/37/16/402363716.db2.gz YRFWMBHBGKFRBG-UHFFFAOYSA-N 0 3 315.442 2.483 20 70 DEIDHN C[C@@H](C(=O)N(C)C)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161389208 402385712 /nfs/dbraw/zinc/38/57/12/402385712.db2.gz RXHIDUARKCYROX-AWEZNQCLSA-N 0 3 314.433 2.418 20 70 DEIDHN CN(C)[C@@H](CNC(=O)c1cnc2c(c1)ncn2C)c1ccccc1 ZINC000159674763 402328369 /nfs/dbraw/zinc/32/83/69/402328369.db2.gz BNMGNSUJOBMFEY-INIZCTEOSA-N 0 3 323.400 2.001 20 70 DEIDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)NCc1ncccc1F ZINC000159750127 402329570 /nfs/dbraw/zinc/32/95/70/402329570.db2.gz PBUNDIJRCXYDCE-QWHCGFSZSA-N 0 3 308.401 2.140 20 70 DEIDHN CCN1CCCN(C(=O)NCC2(CCOC)CCCC2)CC1 ZINC000159988404 402335023 /nfs/dbraw/zinc/33/50/23/402335023.db2.gz RYBLPYSCPNTBTQ-UHFFFAOYSA-N 0 3 311.470 2.321 20 70 DEIDHN CCn1nccc1CNc1ccc(OC2CCN(C)CC2)nc1 ZINC000160064247 402335728 /nfs/dbraw/zinc/33/57/28/402335728.db2.gz RWEHWENGDSQMKG-UHFFFAOYSA-N 0 3 315.421 2.383 20 70 DEIDHN COCc1nc(C(=O)NC[C@H]2CCCN2CC(C)C)cs1 ZINC000160383145 523177220 /nfs/dbraw/zinc/17/72/20/523177220.db2.gz MWONYBXGDNIGIP-GFCCVEGCSA-N 0 3 311.451 2.140 20 70 DEIDHN Cc1ccc(C)c(NC(=O)CN2CCN(c3ccncc3)CC2)c1 ZINC000161298013 539590451 /nfs/dbraw/zinc/59/04/51/539590451.db2.gz YCWCUBLDJVBLLQ-UHFFFAOYSA-N 0 3 324.428 2.459 20 70 DEIDHN CCC[C@H](N)C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000159746876 186139321 /nfs/dbraw/zinc/13/93/21/186139321.db2.gz GGOJZYNJVUGMCF-JSGCOSHPSA-N 0 3 323.824 2.031 20 70 DEIDHN NC(=O)CC1CCN(Cc2ccc(OCC(F)F)cc2)CC1 ZINC000159745219 186139443 /nfs/dbraw/zinc/13/94/43/186139443.db2.gz NMURYLNYXGVXEG-UHFFFAOYSA-N 0 3 312.360 2.418 20 70 DEIDHN C[C@@H](CC(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1 ZINC000160080580 197384171 /nfs/dbraw/zinc/38/41/71/197384171.db2.gz HLVIQEQGPGJSLF-DOTOQJQBSA-N 0 3 304.434 2.143 20 70 DEIDHN C[C@@H](CNC(=O)N(C)CC1CCOCC1)N1CCC(C)CC1 ZINC000159785315 291658970 /nfs/dbraw/zinc/65/89/70/291658970.db2.gz MYXGWPZRBJAAQL-HNNXBMFYSA-N 0 3 311.470 2.175 20 70 DEIDHN COCc1nc2n(n1)C[C@H](N[C@H](C)c1ccccc1C)CC2 ZINC000159793542 197364747 /nfs/dbraw/zinc/36/47/47/197364747.db2.gz WTORTJBYAQAYKS-ZIAGYGMSSA-N 0 3 300.406 2.399 20 70 DEIDHN CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000159513185 197359832 /nfs/dbraw/zinc/35/98/32/197359832.db2.gz FLDJLUXUHNNYNZ-WQVCFCJDSA-N 0 3 311.447 2.434 20 70 DEIDHN Cc1ccc(CN2CCCC[C@H]2CCNS(C)(=O)=O)s1 ZINC000159395637 197350200 /nfs/dbraw/zinc/35/02/00/197350200.db2.gz SCKJFMQQXCXESV-ZDUSSCGKSA-N 0 3 316.492 2.350 20 70 DEIDHN CCc1cccc2c(CCNC(=O)[C@H](N)CCSC)c[nH]c21 ZINC000159373685 197348428 /nfs/dbraw/zinc/34/84/28/197348428.db2.gz JKSBPRJPEVWDJP-OAHLLOKOSA-N 0 3 319.474 2.469 20 70 DEIDHN CCN1CCCN(C(=O)NCCCOC2CCCCC2)CC1 ZINC000159558273 402325932 /nfs/dbraw/zinc/32/59/32/402325932.db2.gz DVUDEJWDXALANF-UHFFFAOYSA-N 0 3 311.470 2.463 20 70 DEIDHN O=C(NCC1CCN(CCO)CC1)c1cc2ccccc2s1 ZINC000160722640 402358385 /nfs/dbraw/zinc/35/83/85/402358385.db2.gz YRSJQPONBIZINI-UHFFFAOYSA-N 0 3 318.442 2.335 20 70 DEIDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC1(CCOC)CC1 ZINC000161052154 402371042 /nfs/dbraw/zinc/37/10/42/402371042.db2.gz ZIEFQCVJOGSNPL-CABCVRRESA-N 0 3 309.454 2.071 20 70 DEIDHN Cc1ccc([C@@H](CNC(=O)N2CCC[C@@](C)(O)C2)N(C)C)cc1 ZINC000161209422 402377996 /nfs/dbraw/zinc/37/79/96/402377996.db2.gz UFZQLECTXLYODU-SJLPKXTDSA-N 0 3 319.449 2.154 20 70 DEIDHN CCOCCC1(CNC(=O)N(C)CC2CCN(C)CC2)CC1 ZINC000161352120 402383947 /nfs/dbraw/zinc/38/39/47/402383947.db2.gz LFRHZXFGZUCUCX-UHFFFAOYSA-N 0 3 311.470 2.176 20 70 DEIDHN Cc1ccc2c(c1)[C@H](NC(=O)N(CCN(C)C)C(C)C)CO2 ZINC000159715065 402329204 /nfs/dbraw/zinc/32/92/04/402329204.db2.gz ZAOSONRVWAVJSA-OAHLLOKOSA-N 0 3 305.422 2.410 20 70 DEIDHN C[C@H](CNC(=O)NC1C[C@@H](C)O[C@H](C)C1)N1CCC(C)CC1 ZINC000159785160 402331094 /nfs/dbraw/zinc/33/10/94/402331094.db2.gz XYSJIQIOIWWPCH-RBSFLKMASA-N 0 3 311.470 2.362 20 70 DEIDHN O=C(NC[C@@H](O)CN1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000159980672 402334311 /nfs/dbraw/zinc/33/43/11/402334311.db2.gz RWSWJJQIKNJETQ-YMVOSSCXSA-N 0 3 320.477 2.166 20 70 DEIDHN C/C(=C/C(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1 ZINC000160545454 518409999 /nfs/dbraw/zinc/40/99/99/518409999.db2.gz SDNLWENAENUTPF-MLRPBERTSA-N 0 3 302.418 2.053 20 70 DEIDHN CCN1CCCC[C@@H]1CNC(=O)NCCc1ccc(Cl)nc1 ZINC000160104815 521593013 /nfs/dbraw/zinc/59/30/13/521593013.db2.gz QGZCMXIVSNQMBC-CQSZACIVSA-N 0 3 324.856 2.451 20 70 DEIDHN CCN1CCCN(C(=O)NC[C@H](C)Oc2cccc(F)c2)CC1 ZINC000159916975 521607728 /nfs/dbraw/zinc/60/77/28/521607728.db2.gz HLHGAGWYMZFOTH-AWEZNQCLSA-N 0 3 323.412 2.330 20 70 DEIDHN CCN1CCCN(C(=O)NC[C@H](C)N(C)c2ccccc2)CC1 ZINC000159623911 521608767 /nfs/dbraw/zinc/60/87/67/521608767.db2.gz IKZIZQJKWDTWHS-INIZCTEOSA-N 0 3 318.465 2.249 20 70 DEIDHN CN(C)[C@@H](CNC(=O)N[C@H](CCO)C(C)(C)C)c1ccccc1 ZINC000161182896 522021041 /nfs/dbraw/zinc/02/10/41/522021041.db2.gz UDWMSDVLHLQTHB-JKSUJKDBSA-N 0 3 321.465 2.386 20 70 DEIDHN C[C@@H](C(=O)N(C)c1ccccc1)N1CCN(c2ccncc2)CC1 ZINC000161320123 539591351 /nfs/dbraw/zinc/59/13/51/539591351.db2.gz UHULVBAXCGAUHD-INIZCTEOSA-N 0 3 324.428 2.255 20 70 DEIDHN c1cn(CCN2CCC[C@@H](c3nnc4n3CCCCC4)C2)cn1 ZINC000159740862 186138369 /nfs/dbraw/zinc/13/83/69/186138369.db2.gz XEYMFVFLTCEIED-OAHLLOKOSA-N 0 3 314.437 2.081 20 70 DEIDHN CN1CC[C@H]2[C@H](CCCN2C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C1 ZINC000160343674 283162732 /nfs/dbraw/zinc/16/27/32/283162732.db2.gz UZZAVZYRBQXDEN-NCOADZHNSA-N 0 3 321.465 2.070 20 70 DEIDHN CCN(CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)OC ZINC000160003935 197379774 /nfs/dbraw/zinc/37/97/74/197379774.db2.gz JHFQMZUZDHQTCH-CQSZACIVSA-N 0 3 305.422 2.181 20 70 DEIDHN CCC[C@@H](N)C(=O)Nc1ccc(OCCCC(=O)OC)cc1 ZINC000159830452 197367636 /nfs/dbraw/zinc/36/76/36/197367636.db2.gz ZKASNBVQFLFBFO-CQSZACIVSA-N 0 3 308.378 2.085 20 70 DEIDHN COCCN(C)CCN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000159373712 402322126 /nfs/dbraw/zinc/32/21/26/402322126.db2.gz HPTFNYOFQIFMOS-HNNXBMFYSA-N 0 3 319.449 2.042 20 70 DEIDHN CC(C)(C)OC(=O)N1CCC[C@H](CNCc2cncnc2)C1 ZINC000218175104 402294908 /nfs/dbraw/zinc/29/49/08/402294908.db2.gz MHCKPSMNCHDVRS-CYBMUJFWSA-N 0 3 306.410 2.213 20 70 DEIDHN CCN1CCC[C@@H]1CNC(=O)CCc1nnc(C2CCCC2)o1 ZINC000159568831 402325637 /nfs/dbraw/zinc/32/56/37/402325637.db2.gz WJNZNZJTFNREGE-CQSZACIVSA-N 0 3 320.437 2.260 20 70 DEIDHN Cc1cccc([C@H](C)C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160316626 402340690 /nfs/dbraw/zinc/34/06/90/402340690.db2.gz UDAVWOOIDAVEAG-DOTOQJQBSA-N 0 3 304.434 2.062 20 70 DEIDHN CC(C)OCCCN(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000160351466 402342368 /nfs/dbraw/zinc/34/23/68/402342368.db2.gz RDEOPOHSOZCWSC-ZDUSSCGKSA-N 0 3 314.451 2.142 20 70 DEIDHN CCN1CCC(NC(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160426246 402345379 /nfs/dbraw/zinc/34/53/79/402345379.db2.gz DFUQZBKLUZBGMO-UHFFFAOYSA-N 0 3 319.331 2.051 20 70 DEIDHN CCc1ccc([C@H](C)C(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000160464601 402346515 /nfs/dbraw/zinc/34/65/15/402346515.db2.gz CRBKEWMECQHKMH-MAUKXSAKSA-N 0 3 318.461 2.316 20 70 DEIDHN COc1ccc(CCN(CC(C)C)C(=O)[C@H](C)N)cc1OC ZINC000160882526 402364149 /nfs/dbraw/zinc/36/41/49/402364149.db2.gz AKCMNDBDXAFJTC-ZDUSSCGKSA-N 0 3 308.422 2.078 20 70 DEIDHN CC[C@@](C)(O)CN1CCC(C(=O)OC)(c2ccccc2)CC1 ZINC000161162358 402376043 /nfs/dbraw/zinc/37/60/43/402376043.db2.gz NENWNAKOEJQKFC-QGZVFWFLSA-N 0 3 305.418 2.354 20 70 DEIDHN Cc1csc(CNC(=O)N(CCN(C)C)C2CCCC2)n1 ZINC000159633660 402327096 /nfs/dbraw/zinc/32/70/96/402327096.db2.gz RAFJXHPIOGPQSK-UHFFFAOYSA-N 0 3 310.467 2.467 20 70 DEIDHN CCN1CCCN(C(=O)NC[C@H](C)Oc2ccccc2C)CC1 ZINC000159919357 521608862 /nfs/dbraw/zinc/60/88/62/521608862.db2.gz WYKGOUMMYPKEMQ-INIZCTEOSA-N 0 3 319.449 2.500 20 70 DEIDHN CCN1CCCN(C(=O)N[C@@H](C)CCc2ccc(O)cc2)CC1 ZINC000159572950 521609369 /nfs/dbraw/zinc/60/93/69/521609369.db2.gz MYKRDJIVLRBDJI-HNNXBMFYSA-N 0 3 319.449 2.451 20 70 DEIDHN O=C(C[C@@H]1CNCCO1)NC(c1cccs1)c1cccs1 ZINC000159926642 527129452 /nfs/dbraw/zinc/12/94/52/527129452.db2.gz OCXLDWQXRMCZHD-LLVKDONJSA-N 0 3 322.455 2.394 20 70 DEIDHN CCN1CCCN(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)CC1 ZINC000159549452 186126331 /nfs/dbraw/zinc/12/63/31/186126331.db2.gz MDIQSCRTPAXPFT-CYBMUJFWSA-N 0 3 315.421 2.361 20 70 DEIDHN Cc1cccc([C@H](C)C(=O)NCCCCN2CCN(C)CC2)c1 ZINC000159780875 355962046 /nfs/dbraw/zinc/96/20/46/355962046.db2.gz VRQGGHFGBHZOOV-KRWDZBQOSA-N 0 3 317.477 2.242 20 70 DEIDHN O=C(CNC[C@@H]1CCCO1)N1CCSC2(CCCCC2)C1 ZINC000161450277 283846516 /nfs/dbraw/zinc/84/65/16/283846516.db2.gz AMNVTPCYHAMNHD-AWEZNQCLSA-N 0 3 312.479 2.033 20 70 DEIDHN CCC1(CC)[C@H](N[C@@H]2CCN(CC(F)(F)F)C2=O)C[C@@H]1OC ZINC000160103111 197386577 /nfs/dbraw/zinc/38/65/77/197386577.db2.gz HRINRWZUMHYECG-UTUOFQBUSA-N 0 3 322.371 2.333 20 70 DEIDHN CCN1CCC(NC(=O)CCc2nnc(C3CCCC3)o2)CC1 ZINC000159583839 402326489 /nfs/dbraw/zinc/32/64/89/402326489.db2.gz XKOJESHEOPCSDI-UHFFFAOYSA-N 0 3 320.437 2.260 20 70 DEIDHN Cc1ccc(C)c([C@H]2CCCN2C(=O)C(C)S(C)(=O)=O)c1 ZINC000160658094 402355321 /nfs/dbraw/zinc/35/53/21/402355321.db2.gz RIXNUVHCWMLMCZ-UKRRQHHQSA-N 0 3 309.431 2.400 20 70 DEIDHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCCO1 ZINC000160697264 402357219 /nfs/dbraw/zinc/35/72/19/402357219.db2.gz GFBJJVKMFMDPNC-QGZVFWFLSA-N 0 3 302.418 2.336 20 70 DEIDHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000160697209 402357420 /nfs/dbraw/zinc/35/74/20/402357420.db2.gz GFBJJVKMFMDPNC-KRWDZBQOSA-N 0 3 302.418 2.336 20 70 DEIDHN COC[C@H](N[C@H](CN1CCCC1=O)c1ccccc1)C1CC1 ZINC000160793455 402360773 /nfs/dbraw/zinc/36/07/73/402360773.db2.gz XDWLHGHVBRQKKK-SJORKVTESA-N 0 3 302.418 2.365 20 70 DEIDHN CCOC(=O)C[C@H](C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000160844165 402362474 /nfs/dbraw/zinc/36/24/74/402362474.db2.gz QQPKSBADNYCUKE-AWEZNQCLSA-N 0 3 318.417 2.354 20 70 DEIDHN CCCN(CCO)Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000161212617 402378017 /nfs/dbraw/zinc/37/80/17/402378017.db2.gz QOCJBBQJWBMJMQ-UHFFFAOYSA-N 0 3 307.390 2.215 20 70 DEIDHN CSCC[C@@H](N)C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1 ZINC000161233574 402378207 /nfs/dbraw/zinc/37/82/07/402378207.db2.gz PXEZLVQOMFLHRS-CYBMUJFWSA-N 0 3 322.409 2.339 20 70 DEIDHN COc1ccc(CNC(=O)N(CCN(C)C)C2CCCC2)cn1 ZINC000159653025 402327442 /nfs/dbraw/zinc/32/74/42/402327442.db2.gz QQHGOFSCCGAJIJ-UHFFFAOYSA-N 0 3 320.437 2.106 20 70 DEIDHN Cc1cccc([C@H]2CCCN2C[C@H](O)COC2CCOCC2)n1 ZINC000160251215 402339558 /nfs/dbraw/zinc/33/95/58/402339558.db2.gz OOHZNHQATAORTL-MAUKXSAKSA-N 0 3 320.433 2.083 20 70 DEIDHN CCO[C@@H]1C[C@@H](N(C)C(=O)NC2CCN(C)CC2)C12CCC2 ZINC000160714481 286236546 /nfs/dbraw/zinc/23/65/46/286236546.db2.gz GHLTUMDJLGWORJ-HUUCEWRRSA-N 0 3 309.454 2.070 20 70 DEIDHN NC(=O)c1cnc(N2CCC[C@H]2CN2CCCCC2)c(Cl)c1 ZINC000160462479 295192770 /nfs/dbraw/zinc/19/27/70/295192770.db2.gz NLJDQVNECDXRDV-ZDUSSCGKSA-N 0 3 322.840 2.289 20 70 DEIDHN CCCN1CCCN(C(=O)c2cc(C)nc3onc(C)c32)CC1 ZINC000160356214 519850709 /nfs/dbraw/zinc/85/07/09/519850709.db2.gz PFFFDDZWRQDJCQ-UHFFFAOYSA-N 0 3 316.405 2.398 20 70 DEIDHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H](C)c2cccs2)CC1 ZINC000160118208 521686135 /nfs/dbraw/zinc/68/61/35/521686135.db2.gz JQOJHJIMJQQRFK-CABCVRRESA-N 0 3 323.506 2.241 20 70 DEIDHN Cc1cc(C[C@@H](C)NC(=O)c2ccc(CN(C)C)cc2)[nH]n1 ZINC000161153448 524824461 /nfs/dbraw/zinc/82/44/61/524824461.db2.gz GMSYGBSZDKIMPZ-GFCCVEGCSA-N 0 3 300.406 2.141 20 70 DEIDHN Cc1cc(C[C@H](C)NC(=O)c2ccc(CN(C)C)cc2)[nH]n1 ZINC000161153577 524836823 /nfs/dbraw/zinc/83/68/23/524836823.db2.gz GMSYGBSZDKIMPZ-LBPRGKRZSA-N 0 3 300.406 2.141 20 70 DEIDHN CSCC[C@@H](N)C(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000160973138 525542771 /nfs/dbraw/zinc/54/27/71/525542771.db2.gz OGIIBEAWMQPSGI-HUUCEWRRSA-N 0 3 324.490 2.214 20 70 DEIDHN CSCC[C@H](N)C(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000160971124 525582800 /nfs/dbraw/zinc/58/28/00/525582800.db2.gz OGIIBEAWMQPSGI-GJZGRUSLSA-N 0 3 324.490 2.214 20 70 DEIDHN CSCC[C@H](N)C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000160575959 525584221 /nfs/dbraw/zinc/58/42/21/525584221.db2.gz IEPWNAHLRQHTNQ-DOMZBBRYSA-N 0 3 318.446 2.130 20 70 DEIDHN Cc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1Cl ZINC000160240353 526174624 /nfs/dbraw/zinc/17/46/24/526174624.db2.gz LRRWCVCDMHLVHB-CQSZACIVSA-N 0 3 310.825 2.225 20 70 DEIDHN Cc1cnccc1CCNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000160213778 526226530 /nfs/dbraw/zinc/22/65/30/526226530.db2.gz BYGAEBOSSJADIT-INIZCTEOSA-N 0 3 318.465 2.352 20 70 DEIDHN COCCN(CCN(C)C)C(=O)Nc1ccnc(C)c1Cl ZINC000159615281 539582772 /nfs/dbraw/zinc/58/27/72/539582772.db2.gz UUINKKPBOBNLAX-UHFFFAOYSA-N 0 3 314.817 2.085 20 70 DEIDHN Cc1ccc(NC(=O)CN2CCN(c3ccncc3)CC2)c(C)c1 ZINC000161298446 539590628 /nfs/dbraw/zinc/59/06/28/539590628.db2.gz FKQDGOAOFIDDDI-UHFFFAOYSA-N 0 3 324.428 2.459 20 70 DEIDHN CCN1CCCC[C@@H]1CNC(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000159755137 186139827 /nfs/dbraw/zinc/13/98/27/186139827.db2.gz BIOMUWMOVVVCFJ-CYBMUJFWSA-N 0 3 321.421 2.022 20 70 DEIDHN COCc1nc2n(n1)C[C@H](N[C@@H](C)c1ccccc1C)CC2 ZINC000159793684 197364701 /nfs/dbraw/zinc/36/47/01/197364701.db2.gz WTORTJBYAQAYKS-UONOGXRCSA-N 0 3 300.406 2.399 20 70 DEIDHN Cc1cc(C)cc(CCC(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160498176 402347976 /nfs/dbraw/zinc/34/79/76/402347976.db2.gz IEXMGKFAAQXWOD-GOSISDBHSA-N 0 3 318.461 2.199 20 70 DEIDHN C[C@H]1CN(C(=O)[C@@H](N)C(C)(C)C)C[C@@H](c2ccc(F)cc2)O1 ZINC000160510155 402349026 /nfs/dbraw/zinc/34/90/26/402349026.db2.gz VCEVQHHKAHFECY-TUKIKUTGSA-N 0 3 308.397 2.488 20 70 DEIDHN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C1(N)CC1 ZINC000160739530 402359163 /nfs/dbraw/zinc/35/91/63/402359163.db2.gz FUMNPNBGLHOLCP-UHFFFAOYSA-N 0 3 323.234 2.430 20 70 DEIDHN Cc1ccccc1[C@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)CCO1 ZINC000160841590 402362672 /nfs/dbraw/zinc/36/26/72/402362672.db2.gz RKZBSAKTPFADSP-RBUKOAKNSA-N 0 3 324.424 2.465 20 70 DEIDHN Cc1ccccc1O[C@@H](C)CNC(=O)C1(N)Cc2ccccc2C1 ZINC000161170446 402376006 /nfs/dbraw/zinc/37/60/06/402376006.db2.gz TZQSAOCRJLVNMT-HNNXBMFYSA-N 0 3 324.424 2.375 20 70 DEIDHN CSCC[C@@H](N)C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000161178869 402376743 /nfs/dbraw/zinc/37/67/43/402376743.db2.gz MLXVZQRAVRIYEW-JHJVBQTASA-N 0 3 302.484 2.024 20 70 DEIDHN CCc1ccc([C@H](CNC(=O)c2cc(C)ncn2)N(C)C)cc1 ZINC000161301852 402381479 /nfs/dbraw/zinc/38/14/79/402381479.db2.gz YMGXMEOLURIVBB-KRWDZBQOSA-N 0 3 312.417 2.380 20 70 DEIDHN C[C@@H]1C[C@@H](NC(=O)N2CCOC[C@@H]2C)CN1Cc1ccccc1 ZINC000159883968 402333107 /nfs/dbraw/zinc/33/31/07/402333107.db2.gz QTSFKULCQGABEZ-HLLBOEOZSA-N 0 3 317.433 2.080 20 70 DEIDHN CC[C@@H]1CCCCN1CCNC(=O)N(C)Cc1cccn1C ZINC000160474420 523170584 /nfs/dbraw/zinc/17/05/84/523170584.db2.gz FNQZWMZQLLSGSZ-OAHLLOKOSA-N 0 3 306.454 2.431 20 70 DEIDHN Cc1cc(NC(=O)CNC[C@H]2CCCO2)ccc1OC(C)C ZINC000160903737 525147264 /nfs/dbraw/zinc/14/72/64/525147264.db2.gz ZGVPGCQRCUWHOH-OAHLLOKOSA-N 0 3 306.406 2.489 20 70 DEIDHN Cc1nn(C)cc1CNCCc1cc(Cl)c2c(c1)OCCO2 ZINC000159659955 527692915 /nfs/dbraw/zinc/69/29/15/527692915.db2.gz XKNDRLJOVCCVCS-UHFFFAOYSA-N 0 3 321.808 2.485 20 70 DEIDHN C[C@@H](CNC(=O)CN)Sc1ccc(Br)cc1 ZINC000159653375 186133077 /nfs/dbraw/zinc/13/30/77/186133077.db2.gz IJRJPHWPNUFAKL-QMMMGPOBSA-N 0 3 303.225 2.005 20 70 DEIDHN CCN1CCCC[C@H]1CNC(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000159755289 186139580 /nfs/dbraw/zinc/13/95/80/186139580.db2.gz BIOMUWMOVVVCFJ-ZDUSSCGKSA-N 0 3 321.421 2.022 20 70 DEIDHN C[C@@H](CN1CCCCC1)NC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000160265850 197397075 /nfs/dbraw/zinc/39/70/75/197397075.db2.gz FFYMIGWXNXPHEX-ZDUSSCGKSA-N 0 3 313.405 2.076 20 70 DEIDHN Cn1ccnc1CNCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000218213583 402294892 /nfs/dbraw/zinc/29/48/92/402294892.db2.gz LPPCIUSVOAESMQ-UHFFFAOYSA-N 0 3 308.426 2.157 20 70 DEIDHN CCOCCC1(CNC(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000159612599 402326367 /nfs/dbraw/zinc/32/63/67/402326367.db2.gz SFVKWNBKQHUPJC-OAHLLOKOSA-N 0 3 311.470 2.367 20 70 DEIDHN Cc1c(C(=O)N2CC[C@H](N3CCCC3)C2)cnn1CC(C)C ZINC000160524976 402349580 /nfs/dbraw/zinc/34/95/80/402349580.db2.gz CFAWTQPCUKAAFS-HNNXBMFYSA-N 0 3 304.438 2.158 20 70 DEIDHN O=C(NCC1CCN(CCO)CC1)c1cccc2ccccc21 ZINC000160561198 402351315 /nfs/dbraw/zinc/35/13/15/402351315.db2.gz YPUCHADMXLFNLV-UHFFFAOYSA-N 0 3 312.413 2.274 20 70 DEIDHN COCC(=O)N1CCC(NCc2ccc(Cl)cc2F)CC1 ZINC000160761543 402359553 /nfs/dbraw/zinc/35/95/53/402359553.db2.gz UHNWAWRSMBFGFX-UHFFFAOYSA-N 0 3 314.788 2.206 20 70 DEIDHN O=C(NCCN1CCCCC1)Nc1ccn(CC(F)(F)F)n1 ZINC000160780057 402360288 /nfs/dbraw/zinc/36/02/88/402360288.db2.gz GYIDEMCSPUPZHK-UHFFFAOYSA-N 0 3 319.331 2.053 20 70 DEIDHN COCCOC[C@H]1CCN(Cc2c(C)nc3ccccn32)C1 ZINC000160849578 402363114 /nfs/dbraw/zinc/36/31/14/402363114.db2.gz JGZOSHYWFXZCEW-HNNXBMFYSA-N 0 3 303.406 2.128 20 70 DEIDHN CSCC[C@H](N)C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000161074797 402371912 /nfs/dbraw/zinc/37/19/12/402371912.db2.gz OZGMRJWPHPLSEY-LBPRGKRZSA-N 0 3 308.382 2.030 20 70 DEIDHN CCN1CCN(CCCNC(=O)[C@@H](C)c2cccc(C)c2)CC1 ZINC000159808508 402330811 /nfs/dbraw/zinc/33/08/11/402330811.db2.gz ISTRAKACSDOADQ-KRWDZBQOSA-N 0 3 317.477 2.242 20 70 DEIDHN CC[C@H](NC(=O)N1CCCN(CC)CC1)c1c(C)nn(C)c1C ZINC000159925412 402333602 /nfs/dbraw/zinc/33/36/02/402333602.db2.gz SQHPUXOHVGROBW-HNNXBMFYSA-N 0 3 321.469 2.225 20 70 DEIDHN Cc1cnccc1CCNC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000159920030 402333774 /nfs/dbraw/zinc/33/37/74/402333774.db2.gz LTGNRZYKVJVRFV-HOCLYGCPSA-N 0 3 318.465 2.352 20 70 DEIDHN CCOCCC1(CNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000159998629 402335244 /nfs/dbraw/zinc/33/52/44/402335244.db2.gz PZFPFOUZSMZDRP-ZIAGYGMSSA-N 0 3 309.454 2.118 20 70 DEIDHN COCCN(C)CCCNC(=O)[C@]1(C)CCCc2ccccc21 ZINC000160149129 402336649 /nfs/dbraw/zinc/33/66/49/402336649.db2.gz GUPJJQFZZFAYTA-LJQANCHMSA-N 0 3 318.461 2.365 20 70 DEIDHN CCN1CCN(C[C@H](C)CNC(=O)[C@H](C)c2cccs2)CC1 ZINC000160118486 521685969 /nfs/dbraw/zinc/68/59/69/521685969.db2.gz JQOJHJIMJQQRFK-HUUCEWRRSA-N 0 3 323.506 2.241 20 70 DEIDHN Cc1ccc(C(=O)CCN2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000159815889 526046055 /nfs/dbraw/zinc/04/60/55/526046055.db2.gz XDUFAHMGTOMGDN-QGZVFWFLSA-N 0 3 316.445 2.222 20 70 DEIDHN COCCCN1CCC(NC(=O)Nc2ccc(C)nc2)CC1 ZINC000161354778 539590945 /nfs/dbraw/zinc/59/09/45/539590945.db2.gz QBUSBZMZLUWUMU-UHFFFAOYSA-N 0 3 306.410 2.012 20 70 DEIDHN CSCC[C@H](N)C(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000159590239 186129732 /nfs/dbraw/zinc/12/97/32/186129732.db2.gz XHMMIPSDVIABRM-OCCSQVGLSA-N 0 3 318.446 2.130 20 70 DEIDHN CCC(CC)(CNCC[S@@](=O)c1ccccc1)C(=O)OC ZINC000159653812 291656947 /nfs/dbraw/zinc/65/69/47/291656947.db2.gz LBPWMYWGUDVTMY-NRFANRHFSA-N 0 3 311.447 2.363 20 70 DEIDHN CN(CC1CCN(CCn2ccnc2)CC1)C(=O)OC(C)(C)C ZINC000159810580 291659588 /nfs/dbraw/zinc/65/95/88/291659588.db2.gz RCDTVIODHAOBAU-UHFFFAOYSA-N 0 3 322.453 2.462 20 70 DEIDHN CC[C@H](N)C(=O)N(CCc1ccc(OC)c(OC)c1)CC(C)C ZINC000160882779 291670667 /nfs/dbraw/zinc/67/06/67/291670667.db2.gz GHYXNRXPFFUQIL-HNNXBMFYSA-N 0 3 322.449 2.468 20 70 DEIDHN CCN1CCCN(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000159775863 197363561 /nfs/dbraw/zinc/36/35/61/197363561.db2.gz HSAWEVGFRACYHO-HZPDHXFCSA-N 0 3 305.397 2.419 20 70 DEIDHN CCCN(CCN(C)C)C(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000159393337 402322693 /nfs/dbraw/zinc/32/26/93/402322693.db2.gz ZFKPFNGGCOEFIB-UHFFFAOYSA-N 0 3 321.396 2.124 20 70 DEIDHN COC[C@@H](N[C@H](CN1CCCC1=O)c1ccccc1)C1CC1 ZINC000160793575 402360853 /nfs/dbraw/zinc/36/08/53/402360853.db2.gz XDWLHGHVBRQKKK-IAGOWNOFSA-N 0 3 302.418 2.365 20 70 DEIDHN CC[C@@H](C)[C@@H](N)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000161205983 402377960 /nfs/dbraw/zinc/37/79/60/402377960.db2.gz DYHJCVCXLDWQRN-GMSGAONNSA-N 0 3 309.357 2.194 20 70 DEIDHN c1nnc(CNC2CCC3(CC2)OCCO3)n1-c1ccccc1 ZINC000161278943 402380112 /nfs/dbraw/zinc/38/01/12/402380112.db2.gz NPBBOPNCHZLXOJ-UHFFFAOYSA-N 0 3 314.389 2.043 20 70 DEIDHN CC[C@H](C(=O)NCCCc1nc2c(s1)CCCC2)N(C)C ZINC000161359364 402384618 /nfs/dbraw/zinc/38/46/18/402384618.db2.gz UGZHKDIATULDNM-CYBMUJFWSA-N 0 3 309.479 2.411 20 70 DEIDHN C[C@@H](CNC(=O)NCc1ncccc1F)N1CCC(C)CC1 ZINC000159785168 402331073 /nfs/dbraw/zinc/33/10/73/402331073.db2.gz NURQQZXPRLCJSC-ZDUSSCGKSA-N 0 3 308.401 2.140 20 70 DEIDHN CCOC(=O)C1CCN(C(=O)CN(C)CCC2CCCC2)CC1 ZINC000160234860 402338910 /nfs/dbraw/zinc/33/89/10/402338910.db2.gz ZHFCBEWZKQJGIO-UHFFFAOYSA-N 0 3 324.465 2.300 20 70 DEIDHN CC(C)CN(CCN(C)C)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000161158494 277379797 /nfs/dbraw/zinc/37/97/97/277379797.db2.gz CXAVLHXFAMVUGF-XHSDSOJGSA-N 0 3 323.481 2.173 20 70 DEIDHN CC(C)CCn1ccc(NC(=O)N(C)CCN2CCCC2)n1 ZINC000160473928 519703231 /nfs/dbraw/zinc/70/32/31/519703231.db2.gz KADKZQOMJDDFMS-UHFFFAOYSA-N 0 3 307.442 2.489 20 70 DEIDHN CCOc1cc(CNC(=O)C2(N)CCCCC2)ccc1OC ZINC000159588644 520702771 /nfs/dbraw/zinc/70/27/71/520702771.db2.gz RFNAEEOAWGBBMA-UHFFFAOYSA-N 0 3 306.406 2.372 20 70 DEIDHN COc1cccc(CCCN2CCN(c3cccnn3)CC2)c1 ZINC000160167920 525886579 /nfs/dbraw/zinc/88/65/79/525886579.db2.gz QWIMCXBUXUUZMX-UHFFFAOYSA-N 0 3 312.417 2.240 20 70 DEIDHN O=C(C[C@H]1CNCCO1)NC(c1cccs1)c1cccs1 ZINC000159926777 527176554 /nfs/dbraw/zinc/17/65/54/527176554.db2.gz OCXLDWQXRMCZHD-NSHDSACASA-N 0 3 322.455 2.394 20 70 DEIDHN CN(CCSc1ccc(Cl)cc1)CC(C)(CO)CO ZINC000159587367 186128704 /nfs/dbraw/zinc/12/87/04/186128704.db2.gz ZMXSRJYEFZSOCA-UHFFFAOYSA-N 0 3 303.855 2.355 20 70 DEIDHN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@@H]1CCCCN1 ZINC000161059801 284403571 /nfs/dbraw/zinc/40/35/71/284403571.db2.gz CPMVQNFYXLOJCX-HNNXBMFYSA-N 0 3 317.433 2.233 20 70 DEIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cccc(Cl)c1F ZINC000160224162 197393955 /nfs/dbraw/zinc/39/39/55/197393955.db2.gz XGSWXCUIHPYVEN-LLVKDONJSA-N 0 3 314.788 2.056 20 70 DEIDHN Cc1ccc2oc(C(=O)NC[C@@H](O)CN3CCCCC3)cc2c1 ZINC000160162744 197389767 /nfs/dbraw/zinc/38/97/67/197389767.db2.gz YVEQBDFYIBRZOH-OAHLLOKOSA-N 0 3 316.401 2.318 20 70 DEIDHN CCc1noc(CC)c1CNC(=O)N1CCCN(CC)CC1 ZINC000159963901 197376813 /nfs/dbraw/zinc/37/68/13/197376813.db2.gz RZFBYFMDYFWHHX-UHFFFAOYSA-N 0 3 308.426 2.037 20 70 DEIDHN CCN1CCCN(C(=O)NC[C@@H]2CCOc3ccccc32)CC1 ZINC000159837071 197367793 /nfs/dbraw/zinc/36/77/93/197367793.db2.gz UWGSPNGIXCEJBU-HNNXBMFYSA-N 0 3 317.433 2.290 20 70 DEIDHN CN(C)CCN(Cc1ccco1)C(=O)NCCc1cscn1 ZINC000159364391 291652865 /nfs/dbraw/zinc/65/28/65/291652865.db2.gz PTXIGWZEHMCWQC-UHFFFAOYSA-N 0 3 322.434 2.052 20 70 DEIDHN CSCC[C@H](N)C(=O)NCCc1c[nH]c2c1cccc2C ZINC000159560963 197361697 /nfs/dbraw/zinc/36/16/97/197361697.db2.gz SJAXTJMEPJRLMH-AWEZNQCLSA-N 0 3 305.447 2.215 20 70 DEIDHN C[C@H]1NCCN(C(=O)Cc2ccccc2Br)[C@H]1C ZINC000217268418 402291208 /nfs/dbraw/zinc/29/12/08/402291208.db2.gz VVJRVDBMKYFFQG-MNOVXSKESA-N 0 3 311.223 2.200 20 70 DEIDHN COc1ccc(C(=O)Nc2ccc(C)cc2CN(C)C)nn1 ZINC000160324973 402340713 /nfs/dbraw/zinc/34/07/13/402340713.db2.gz HZZUIUITEZQHSM-UHFFFAOYSA-N 0 3 300.362 2.108 20 70 DEIDHN Cc1cccc2nc(CNC(=O)CN3CCC(C)CC3)[nH]c21 ZINC000160422111 402344615 /nfs/dbraw/zinc/34/46/15/402344615.db2.gz KJPQGLYAJDSTSI-UHFFFAOYSA-N 0 3 300.406 2.219 20 70 DEIDHN CCC[C@@H](N)C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000161040458 402370300 /nfs/dbraw/zinc/37/03/00/402370300.db2.gz DJLJGTKIALVKSU-PMPSAXMXSA-N 0 3 306.406 2.435 20 70 DEIDHN Cc1ccc([C@@H](CNC(=O)N2CCC[C@](C)(O)C2)N(C)C)cc1 ZINC000161209676 402377914 /nfs/dbraw/zinc/37/79/14/402377914.db2.gz UFZQLECTXLYODU-AEFFLSMTSA-N 0 3 319.449 2.154 20 70 DEIDHN C[C@@H]1CCN(C(=O)C[C@@H]2CNCCO2)[C@@H]1c1cccc(F)c1 ZINC000161486648 402389265 /nfs/dbraw/zinc/38/92/65/402389265.db2.gz MHUPYMONMCGRNY-VMGRFDJRSA-N 0 3 306.381 2.114 20 70 DEIDHN CN(C[C@H](O)C(F)(F)F)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161403269 402386397 /nfs/dbraw/zinc/38/63/97/402386397.db2.gz PZHHIILHXGXLKX-LBPRGKRZSA-N 0 3 324.387 2.126 20 70 DEIDHN Cc1noc(C)c1CN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161405408 402386528 /nfs/dbraw/zinc/38/65/28/402386528.db2.gz FJWQXDZTUJWAPV-CYBMUJFWSA-N 0 3 301.394 2.209 20 70 DEIDHN CCC[C@H]1CN(C(=O)NCc2cccc(CN(C)C)c2)CCO1 ZINC000159665426 521215619 /nfs/dbraw/zinc/21/56/19/521215619.db2.gz WTOKBIIVXUGOHX-KRWDZBQOSA-N 0 3 319.449 2.459 20 70 DEIDHN CCN1CCCN(C(=O)NC[C@H](C)Oc2cccc(C)c2)CC1 ZINC000159914981 521608137 /nfs/dbraw/zinc/60/81/37/521608137.db2.gz RHMVXYWWCDEPNS-INIZCTEOSA-N 0 3 319.449 2.500 20 70 DEIDHN CN(CCNC(=O)C[C@H]1CSCCS1)Cc1ccccc1 ZINC000160677430 522847994 /nfs/dbraw/zinc/84/79/94/522847994.db2.gz QJHSLBVIGXMWAA-HNNXBMFYSA-N 0 3 324.515 2.473 20 70 DEIDHN CN(Cc1cc2ccccc2o1)C(=O)CNC[C@H]1CCCO1 ZINC000161414678 523189218 /nfs/dbraw/zinc/18/92/18/523189218.db2.gz SGLBUCWDAVVNJT-CQSZACIVSA-N 0 3 302.374 2.160 20 70 DEIDHN C[C@@H](CC(=O)NCC1CCN(CCO)CC1)c1ccccc1 ZINC000160720124 524368779 /nfs/dbraw/zinc/36/87/79/524368779.db2.gz VTJNFKHJLXDGCJ-HNNXBMFYSA-N 0 3 304.434 2.001 20 70 DEIDHN C[C@H](NCc1ccccc1CN1CCOCC1)c1cnn(C)c1 ZINC000160463289 525461705 /nfs/dbraw/zinc/46/17/05/525461705.db2.gz AAGCKXDZLYMVQY-HNNXBMFYSA-N 0 3 314.433 2.103 20 70 DEIDHN CCOc1ccccc1CCNC(=O)N1CCCN(CC)CC1 ZINC000159810393 539584155 /nfs/dbraw/zinc/58/41/55/539584155.db2.gz ZKTSNFYAWLLRPO-UHFFFAOYSA-N 0 3 319.449 2.365 20 70 DEIDHN CCN1CCCN(C(=O)N[C@H](C)Cc2ccccc2F)CC1 ZINC000159733103 186137698 /nfs/dbraw/zinc/13/76/98/186137698.db2.gz XGWPGFKHDVBNTF-CQSZACIVSA-N 0 3 307.413 2.494 20 70 DEIDHN CCc1sc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1C ZINC000160219948 197393340 /nfs/dbraw/zinc/39/33/40/197393340.db2.gz OVXJFBZDVOAEJO-CYBMUJFWSA-N 0 3 310.463 2.196 20 70 DEIDHN Cc1ccc2cc(C(=O)NC[C@@H](O)CN3CCCCC3)[nH]c2c1 ZINC000159973973 197378140 /nfs/dbraw/zinc/37/81/40/197378140.db2.gz RHLASJYWPFKCTB-OAHLLOKOSA-N 0 3 315.417 2.053 20 70 DEIDHN C[C@H](CC(=O)NC[C@H](O)CN1CCCCC1)c1cccc(F)c1 ZINC000160514673 402348542 /nfs/dbraw/zinc/34/85/42/402348542.db2.gz ZZEMEFVSUJMEMB-PBHICJAKSA-N 0 3 322.424 2.282 20 70 DEIDHN CC[C@@H](O)CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000160630819 402354502 /nfs/dbraw/zinc/35/45/02/402354502.db2.gz NWCSMYRXVYKTFM-IAGOWNOFSA-N 0 3 319.449 2.284 20 70 DEIDHN Cc1ccc(CCC(=O)NCC2CCN(CCO)CC2)c(C)c1 ZINC000160695239 402357465 /nfs/dbraw/zinc/35/74/65/402357465.db2.gz YBVHHHSTUDCPBY-UHFFFAOYSA-N 0 3 318.461 2.057 20 70 DEIDHN C[C@H](CC(=O)NCC1CCN(CCO)CC1)c1ccc(F)cc1 ZINC000160724964 402358645 /nfs/dbraw/zinc/35/86/45/402358645.db2.gz DPLBCNUBVRQOSH-CQSZACIVSA-N 0 3 322.424 2.140 20 70 DEIDHN C[C@H]1C[C@H](NCC(=O)Nc2ccc(Cl)cc2)CN1C1CC1 ZINC000161111435 402373426 /nfs/dbraw/zinc/37/34/26/402373426.db2.gz QYIAIFVQBHWEIR-FZMZJTMJSA-N 0 3 307.825 2.493 20 70 DEIDHN COCCC1(CNC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000161134272 402374516 /nfs/dbraw/zinc/37/45/16/402374516.db2.gz HDUSQVBVKXBTJW-UHFFFAOYSA-N 0 3 323.481 2.463 20 70 DEIDHN Cc1nc2ccccn2c1CN1CCC[C@@H](CCC(N)=O)C1 ZINC000159616321 402327026 /nfs/dbraw/zinc/32/70/26/402327026.db2.gz NHHSRQJQYFYFCZ-AWEZNQCLSA-N 0 3 300.406 2.120 20 70 DEIDHN CCCCN(C)CCNC(=O)NCc1ccnc(OC(C)C)c1 ZINC000159837076 402331659 /nfs/dbraw/zinc/33/16/59/402331659.db2.gz ZRRVYPOCDCOXOZ-UHFFFAOYSA-N 0 3 322.453 2.400 20 70 DEIDHN CCCCn1ncc(NC(=O)NC[C@H]2CCCN(C)C2)c1C ZINC000160241575 402338939 /nfs/dbraw/zinc/33/89/39/402338939.db2.gz UWWGZBJJSNNYSF-CQSZACIVSA-N 0 3 307.442 2.455 20 70 DEIDHN Cc1c2ccccc2oc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160479854 280273132 /nfs/dbraw/zinc/27/31/32/280273132.db2.gz AGAJCMOBSMADNH-CQSZACIVSA-N 0 3 316.401 2.318 20 70 DEIDHN CCN1CCCN(C(=O)NC[C@H](C)Oc2ccc(C)cc2)CC1 ZINC000159919785 521608287 /nfs/dbraw/zinc/60/82/87/521608287.db2.gz GZCYZKUYSULVFX-INIZCTEOSA-N 0 3 319.449 2.500 20 70 DEIDHN CCN1CCCN(C(=O)NC[C@@H](C)Oc2ccccc2C)CC1 ZINC000159919211 521608789 /nfs/dbraw/zinc/60/87/89/521608789.db2.gz WYKGOUMMYPKEMQ-MRXNPFEDSA-N 0 3 319.449 2.500 20 70 DEIDHN COc1cc(C)cc(CNC(=O)NC[C@H](C)N(C)C2CC2)c1 ZINC000159861645 522239536 /nfs/dbraw/zinc/23/95/36/522239536.db2.gz ULLJNYICZCBUFO-ZDUSSCGKSA-N 0 3 305.422 2.286 20 70 DEIDHN C[C@@H](C(=O)NCCCOC1CCOCC1)[C@@H](N)c1ccccc1 ZINC000160941564 524184532 /nfs/dbraw/zinc/18/45/32/524184532.db2.gz WDAQBEJDJAYFJX-RHSMWYFYSA-N 0 3 320.433 2.024 20 70 DEIDHN CSCC[C@@H](N)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160399362 525541899 /nfs/dbraw/zinc/54/18/99/525541899.db2.gz SUMQOSOTYDSKIT-UKRRQHHQSA-N 0 3 310.438 2.297 20 70 DEIDHN CC(C)N(C(=O)[C@H](C)N1CCN(c2ccncc2)CC1)C(C)C ZINC000161388987 539591388 /nfs/dbraw/zinc/59/13/88/539591388.db2.gz UGAGQYSLTMSZCO-INIZCTEOSA-N 0 3 318.465 2.238 20 70 DEIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1c(F)cccc1Cl ZINC000160272878 197396341 /nfs/dbraw/zinc/39/63/41/197396341.db2.gz ODIOKGVCVVIQPK-LLVKDONJSA-N 0 3 314.788 2.056 20 70 DEIDHN C[C@@H]1C[C@H](NC(=O)N2CCSCC2)CN1Cc1ccccc1 ZINC000159845613 197368464 /nfs/dbraw/zinc/36/84/64/197368464.db2.gz XRYTVXDQYGRAOD-ZBFHGGJFSA-N 0 3 319.474 2.408 20 70 DEIDHN COc1ncccc1CNC(=O)N(CCN(C)C)C1CCCC1 ZINC000160120741 291662985 /nfs/dbraw/zinc/66/29/85/291662985.db2.gz KGACSAOEUOWWKT-UHFFFAOYSA-N 0 3 320.437 2.106 20 70 DEIDHN CCC[C@@H](C(=O)NC[C@H](c1ccccc1OC)N(C)C)N(C)C ZINC000161244057 291673342 /nfs/dbraw/zinc/67/33/42/291673342.db2.gz NIBCFJASEVKGEU-JKSUJKDBSA-N 0 3 321.465 2.144 20 70 DEIDHN CC(C)NC(=O)c1ccc(C(=O)N(CCN(C)C)C(C)C)cc1 ZINC000159562325 197361898 /nfs/dbraw/zinc/36/18/98/197361898.db2.gz OIWYQJQPHGGZJN-UHFFFAOYSA-N 0 3 319.449 2.237 20 70 DEIDHN Cn1cncc1CNC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218175305 402294887 /nfs/dbraw/zinc/29/48/87/402294887.db2.gz BJAQAJINRIWUMR-CYBMUJFWSA-N 0 3 308.426 2.157 20 70 DEIDHN CCc1c(C(=O)NC2CCN(CC)CC2)cnn1CC(C)C ZINC000160339508 402341772 /nfs/dbraw/zinc/34/17/72/402341772.db2.gz OWBIXJGSQGSEFA-UHFFFAOYSA-N 0 3 306.454 2.316 20 70 DEIDHN O=C1[C@@H](NC2CCC3(CC2)OCCO3)CCN1c1ccccc1 ZINC000161426115 402387058 /nfs/dbraw/zinc/38/70/58/402387058.db2.gz ZMHBHHPVKIHYCT-INIZCTEOSA-N 0 3 316.401 2.067 20 70 DEIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000160526555 402349135 /nfs/dbraw/zinc/34/91/35/402349135.db2.gz UTSJRMYUNBJJIS-STQMWFEESA-N 0 3 305.422 2.481 20 70 DEIDHN CCOC(=O)CCN(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000160707834 402357837 /nfs/dbraw/zinc/35/78/37/402357837.db2.gz KAMFZXFDNJKCEF-ZDUSSCGKSA-N 0 3 302.378 2.213 20 70 DEIDHN CC[C@H](N)C(=O)NCCCc1ccc(Br)cc1F ZINC000160884417 402364114 /nfs/dbraw/zinc/36/41/14/402364114.db2.gz BFKUMHIXTATATG-LBPRGKRZSA-N 0 3 317.202 2.374 20 70 DEIDHN Cc1nc2ccccn2c1CN1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000160928591 402365875 /nfs/dbraw/zinc/36/58/75/402365875.db2.gz YRRWMQHEJVTXNW-HNNXBMFYSA-N 0 3 309.417 2.441 20 70 DEIDHN O=C([C@H]1CCCCN1)N1CC[C@H](COCc2ccccc2)C1 ZINC000161322690 402382847 /nfs/dbraw/zinc/38/28/47/402382847.db2.gz LYUCCCGWQKRBCO-DLBZAZTESA-N 0 3 302.418 2.194 20 70 DEIDHN O=C(CN1CC[C@@H]2CCCC[C@@H]21)NCc1ccc2c(c1)OCO2 ZINC000159670126 402328611 /nfs/dbraw/zinc/32/86/11/402328611.db2.gz CDQOKXRLOFRHJW-GJZGRUSLSA-N 0 3 316.401 2.296 20 70 DEIDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000160120836 402336571 /nfs/dbraw/zinc/33/65/71/402336571.db2.gz RKAYWNUDOGTPNR-CYBMUJFWSA-N 0 3 310.394 2.335 20 70 DEIDHN C[C@@H](CC(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1F ZINC000160213012 402337948 /nfs/dbraw/zinc/33/79/48/402337948.db2.gz SJMGDHMGUWFJHK-LSDHHAIUSA-N 0 3 322.424 2.282 20 70 DEIDHN C[C@H](C(=O)N(C)C)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161389328 279181696 /nfs/dbraw/zinc/18/16/96/279181696.db2.gz RXHIDUARKCYROX-CQSZACIVSA-N 0 3 314.433 2.418 20 70 DEIDHN COc1cc2c(cc1CNC[C@](C)(O)CSC)O[C@@H](C)C2 ZINC000217847732 337319279 /nfs/dbraw/zinc/31/92/79/337319279.db2.gz ZMXOSJNIQCRNOL-ZBEGNZNMSA-N 0 3 311.447 2.222 20 70 DEIDHN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1CCn1ccnc1 ZINC000159789967 518832536 /nfs/dbraw/zinc/83/25/36/518832536.db2.gz QMXKGHPVTKAPDW-AWEZNQCLSA-N 0 3 308.426 2.262 20 70 DEIDHN CCC(CC)(CNCC(=O)N[C@@H](C)c1ccccc1)C(=O)OC ZINC000159650376 521440544 /nfs/dbraw/zinc/44/05/44/521440544.db2.gz SCLSZNJIWPDYPE-AWEZNQCLSA-N 0 3 320.433 2.433 20 70 DEIDHN CCN1CCCN(C(=O)NCc2ccc(F)c(COC)c2)CC1 ZINC000159834042 521608899 /nfs/dbraw/zinc/60/88/99/521608899.db2.gz PKPUDLZYVPKXGG-UHFFFAOYSA-N 0 3 323.412 2.209 20 70 DEIDHN COCCN(C)CCCNC(=O)[C@H]1C[C@H]1c1sccc1C ZINC000161485865 523584599 /nfs/dbraw/zinc/58/45/99/523584599.db2.gz HIHVCLOWWLQVBV-KGLIPLIRSA-N 0 3 310.463 2.245 20 70 DEIDHN C[C@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1ccco1 ZINC000161258180 525452964 /nfs/dbraw/zinc/45/29/64/525452964.db2.gz QPDGESMXJSKEKC-AWEZNQCLSA-N 0 3 315.417 2.422 20 70 DEIDHN CSCC[C@H](N)C(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000159494621 525581281 /nfs/dbraw/zinc/58/12/81/525581281.db2.gz IPLFBKUJNMMGIG-ZANVPECISA-N 0 3 302.390 2.265 20 70 DEIDHN Cc1[nH]c2ccccc2c1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160051555 282177109 /nfs/dbraw/zinc/17/71/09/282177109.db2.gz GECQOTJBMFTFNX-CQSZACIVSA-N 0 3 315.417 2.053 20 70 DEIDHN COC(=O)c1csc(NC(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000160654599 355965207 /nfs/dbraw/zinc/96/52/07/355965207.db2.gz PBXDYEWMOXBZBZ-GFCCVEGCSA-N 0 3 323.418 2.141 20 70 DEIDHN CC(C)[C@@H](C(=O)NC[C@@H](C[C@H](C)O)c1ccccc1)N(C)C ZINC000159766251 197362443 /nfs/dbraw/zinc/36/24/43/197362443.db2.gz VHDMBQWKKBMUCA-UAGQMJEPSA-N 0 3 306.450 2.244 20 70 DEIDHN CCCCN1CCCC[C@@H]1CNC(=O)c1cc(OC)ccn1 ZINC000217222242 402291181 /nfs/dbraw/zinc/29/11/81/402291181.db2.gz PPIGOGLGRXBDMD-CQSZACIVSA-N 0 3 305.422 2.475 20 70 DEIDHN C[C@H]1NCCN(C(=O)Cc2ccccc2Br)[C@@H]1C ZINC000217268422 402291187 /nfs/dbraw/zinc/29/11/87/402291187.db2.gz VVJRVDBMKYFFQG-GHMZBOCLSA-N 0 3 311.223 2.200 20 70 DEIDHN COc1ccc(C)nc1NC(=O)N1CCC(N2CC=CC2)CC1 ZINC000160471881 402347050 /nfs/dbraw/zinc/34/70/50/402347050.db2.gz FMWFCRCEJFFVKF-UHFFFAOYSA-N 0 3 316.405 2.267 20 70 DEIDHN C[C@@H]1CCN(C(=O)C[C@@H]2CNCCO2)[C@H]1c1cccc(F)c1 ZINC000161486846 402389196 /nfs/dbraw/zinc/38/91/96/402389196.db2.gz MHUPYMONMCGRNY-SRCQZFHVSA-N 0 3 306.381 2.114 20 70 DEIDHN CN1CCC(NC(=O)N2CCC[C@H](Nc3ccccc3)C2)CC1 ZINC000160713945 402357785 /nfs/dbraw/zinc/35/77/85/402357785.db2.gz WCLUZJXOOKMCHP-KRWDZBQOSA-N 0 3 316.449 2.367 20 70 DEIDHN CC(C)(C)OC(=O)CCN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161394720 402385969 /nfs/dbraw/zinc/38/59/69/402385969.db2.gz MUZAEXUVHXCLPE-CYBMUJFWSA-N 0 3 320.437 2.136 20 70 DEIDHN O=C(CCCc1nc(C2CC2)no1)NCCN1CCCCCC1 ZINC000159653902 402327824 /nfs/dbraw/zinc/32/78/24/402327824.db2.gz UGXJZHAFYCBLSI-UHFFFAOYSA-N 0 3 320.437 2.262 20 70 DEIDHN C[C@H]1CCCN(CCNC(=O)CCCc2nc(C3CC3)no2)C1 ZINC000159903254 402332511 /nfs/dbraw/zinc/33/25/11/402332511.db2.gz KHHXLCWNKDXAPT-ZDUSSCGKSA-N 0 3 320.437 2.118 20 70 DEIDHN CCO[C@H]1C[C@@H](NC(=O)N2CCCN(CC)CC2)C12CCCC2 ZINC000159928272 402333650 /nfs/dbraw/zinc/33/36/50/402333650.db2.gz VVNPNKLEPABSSN-CVEARBPZSA-N 0 3 323.481 2.461 20 70 DEIDHN Cc1nc2n(n1)C[C@@H](N[C@H]1CCCc3nc(C)sc31)CC2 ZINC000160505058 279141720 /nfs/dbraw/zinc/14/17/20/279141720.db2.gz KIZXUJOPGICERG-AAEUAGOBSA-N 0 3 303.435 2.333 20 70 DEIDHN CCN1CCCN(C(=O)N[C@@H]2CCc3c2cccc3O)CC1 ZINC000159912455 279286657 /nfs/dbraw/zinc/28/66/57/279286657.db2.gz RAJLVQMNXIGBMO-OAHLLOKOSA-N 0 3 303.406 2.117 20 70 DEIDHN Cc1ccccc1CN(C)C(=O)[C@H](C)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159651801 302096952 /nfs/dbraw/zinc/09/69/52/302096952.db2.gz SDGAKBOVMCPADF-SZMVWBNQSA-N 0 3 318.461 2.435 20 70 DEIDHN CCC[C@@H](N)C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000159747031 520714152 /nfs/dbraw/zinc/71/41/52/520714152.db2.gz GGOJZYNJVUGMCF-OCCSQVGLSA-N 0 3 323.824 2.031 20 70 DEIDHN CCN1CCCC[C@H]1CNC(=O)NCCc1ccc(Cl)nc1 ZINC000160104967 521600414 /nfs/dbraw/zinc/60/04/14/521600414.db2.gz QGZCMXIVSNQMBC-AWEZNQCLSA-N 0 3 324.856 2.451 20 70 DEIDHN CCN1CCCN(C(=O)NCCOC2CCCCCC2)CC1 ZINC000159879856 521607760 /nfs/dbraw/zinc/60/77/60/521607760.db2.gz GPAFXVDSAOPLOL-UHFFFAOYSA-N 0 3 311.470 2.463 20 70 DEIDHN COCCN(C)CCN[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000159401745 523611361 /nfs/dbraw/zinc/61/13/61/523611361.db2.gz PKLJFYXHVKUBFY-INIZCTEOSA-N 0 3 316.449 2.160 20 70 DEIDHN Cc1occc1C(=O)NC1CCN(CCOCC2CC2)CC1 ZINC000160386853 526805655 /nfs/dbraw/zinc/80/56/55/526805655.db2.gz QIGCSFKXVOUWPG-UHFFFAOYSA-N 0 3 306.406 2.209 20 70 DEIDHN C[C@H](N[C@H](CCO)c1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000160931230 539588745 /nfs/dbraw/zinc/58/87/45/539588745.db2.gz BKIHDKCXMOYXGA-KBXCAEBGSA-N 0 3 323.400 2.437 20 70 DEIDHN Fc1ccccc1OCCN1CCN(c2ccncc2)CC1 ZINC000161307516 539590172 /nfs/dbraw/zinc/59/01/72/539590172.db2.gz ZSMVSCPTOHRHHF-UHFFFAOYSA-N 0 3 301.365 2.422 20 70 DEIDHN C[C@@H](CN1CCCCC1)NCc1ccc(S(C)(=O)=O)cc1 ZINC000159738602 186138545 /nfs/dbraw/zinc/13/85/45/186138545.db2.gz PCRJKYOXRNMBAC-AWEZNQCLSA-N 0 3 310.463 2.054 20 70 DEIDHN CCC(CC)N(CCOC)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160753955 355966313 /nfs/dbraw/zinc/96/63/13/355966313.db2.gz IMXXXARRPJNOBP-OAHLLOKOSA-N 0 3 311.470 2.317 20 70 DEIDHN COc1cc2c(c(CN3C[C@H](C(N)=O)CC[C@@H]3C)c1)O[C@H](C)C2 ZINC000159515876 197360063 /nfs/dbraw/zinc/36/00/63/197360063.db2.gz GTSYRTOTAZUTQS-YNEHKIRRSA-N 0 3 318.417 2.104 20 70 DEIDHN O=C(CNCC1CC1)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000159422343 197352018 /nfs/dbraw/zinc/35/20/18/197352018.db2.gz ZEMOEHVLNKCMQO-IRXDYDNUSA-N 0 3 318.417 2.307 20 70 DEIDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc3c(c1)OCCO3)CC2 ZINC000160451994 402345989 /nfs/dbraw/zinc/34/59/89/402345989.db2.gz VJNMZENUSIGUQX-RISCZKNCSA-N 0 3 314.389 2.023 20 70 DEIDHN C[C@@H](CC(=O)NCC1CCN(CCO)CC1)C1CCCCC1 ZINC000160533492 402349986 /nfs/dbraw/zinc/34/99/86/402349986.db2.gz OKLNMOYCEYDUHU-HNNXBMFYSA-N 0 3 310.482 2.413 20 70 DEIDHN CO[C@@H]1CCC[C@H]1NC(=O)NCc1cccc(CN(C)C)c1 ZINC000160641329 402354804 /nfs/dbraw/zinc/35/48/04/402354804.db2.gz LZKKBYIMCMQTHL-HZPDHXFCSA-N 0 3 305.422 2.115 20 70 DEIDHN COC[C@@](C)(CC(=O)OC)NCCC(=O)c1ccc(C)cc1 ZINC000160664865 402356239 /nfs/dbraw/zinc/35/62/39/402356239.db2.gz UDXSMGKKFGUQHQ-QGZVFWFLSA-N 0 3 307.390 2.126 20 70 DEIDHN CC(C)(N)C(=O)NCCCc1ccc(Br)cc1F ZINC000160883762 402363929 /nfs/dbraw/zinc/36/39/29/402363929.db2.gz QQJYSXLMECQVDF-UHFFFAOYSA-N 0 3 317.202 2.374 20 70 DEIDHN COC(=O)C(C)(C)c1ccc(NC(=O)[C@@H](N)CC(C)C)cc1 ZINC000161039469 402370478 /nfs/dbraw/zinc/37/04/78/402370478.db2.gz TYQNQUBCYKDWOW-AWEZNQCLSA-N 0 3 306.406 2.449 20 70 DEIDHN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@@H](N)CC(C)C ZINC000161062545 402370811 /nfs/dbraw/zinc/37/08/11/402370811.db2.gz XLVFTCCQDRDXSG-HNNXBMFYSA-N 0 3 319.449 2.464 20 70 DEIDHN O=C(NC1CCN(C2CC2)CC1)c1csc([C@H]2CCCO2)n1 ZINC000161294143 402381306 /nfs/dbraw/zinc/38/13/06/402381306.db2.gz NMJWMYPKVIDMND-CQSZACIVSA-N 0 3 321.446 2.351 20 70 DEIDHN Cc1noc(C)c1CN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161405272 402386416 /nfs/dbraw/zinc/38/64/16/402386416.db2.gz FJWQXDZTUJWAPV-ZDUSSCGKSA-N 0 3 301.394 2.209 20 70 DEIDHN O=C(NCCNCc1ccc(F)c(C(F)(F)F)c1)C1CC1 ZINC000160139800 402336903 /nfs/dbraw/zinc/33/69/03/402336903.db2.gz FXVVUJMJNBPXEY-UHFFFAOYSA-N 0 3 304.287 2.460 20 70 DEIDHN CCCN1CCCN(C(=O)c2cc(-c3ccncc3)on2)CC1 ZINC000160377162 519850811 /nfs/dbraw/zinc/85/08/11/519850811.db2.gz SRRWOZCEWIRYSM-UHFFFAOYSA-N 0 3 314.389 2.295 20 70 DEIDHN CCC[C@@H](N)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000160174612 520720848 /nfs/dbraw/zinc/72/08/48/520720848.db2.gz OQIFZTNOTDFHPO-GFCCVEGCSA-N 0 3 322.796 2.176 20 70 DEIDHN CCC[C@H](N)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000160174517 521113045 /nfs/dbraw/zinc/11/30/45/521113045.db2.gz OQIFZTNOTDFHPO-LBPRGKRZSA-N 0 3 322.796 2.176 20 70 DEIDHN CCN1CCCN(C(=O)N[C@H](C)COc2cccc(C)c2)CC1 ZINC000159732675 521609454 /nfs/dbraw/zinc/60/94/54/521609454.db2.gz APLFDEJJHMKJQJ-MRXNPFEDSA-N 0 3 319.449 2.500 20 70 DEIDHN CN(CCCOCCc1ccccc1)[C@H]1CCCCNC1=O ZINC000160299820 522778023 /nfs/dbraw/zinc/77/80/23/522778023.db2.gz IMEXIHLXJIKAAJ-KRWDZBQOSA-N 0 3 304.434 2.236 20 70 DEIDHN Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000159863220 526563243 /nfs/dbraw/zinc/56/32/43/526563243.db2.gz RQUZATFTVLBMDU-QWRGUYRKSA-N 0 3 308.426 2.177 20 70 DEIDHN CC[C@H](N)C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000159513957 197359947 /nfs/dbraw/zinc/35/99/47/197359947.db2.gz UNSZXMKRODPZTG-LBPRGKRZSA-N 0 3 310.760 2.400 20 70 DEIDHN O=C(CN1CC[C@@H]2CCCC[C@@H]21)NC(=O)NCc1cccs1 ZINC000159601974 402326540 /nfs/dbraw/zinc/32/65/40/402326540.db2.gz JBBSJWNWOVNYIF-JSGCOSHPSA-N 0 3 321.446 2.338 20 70 DEIDHN C[C@H](Sc1ccccc1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160531171 402350188 /nfs/dbraw/zinc/35/01/88/402350188.db2.gz UAGBGGFNIGEAGM-LSDHHAIUSA-N 0 3 322.474 2.130 20 70 DEIDHN Cc1cccc(OC[C@H](O)CN2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160550593 402350475 /nfs/dbraw/zinc/35/04/75/402350475.db2.gz FJMHSZJSIMCXOG-ZHALLVOQSA-N 0 3 319.445 2.362 20 70 DEIDHN C[C@@H](NCc1ccc(CN2CCOCC2)cc1)c1cnn(C)c1 ZINC000160599554 402353202 /nfs/dbraw/zinc/35/32/02/402353202.db2.gz AFKJMGBBWMWTSC-OAHLLOKOSA-N 0 3 314.433 2.103 20 70 DEIDHN COc1ccc(CCNC(=O)[C@@H](N)CCSC)c(Cl)c1 ZINC000160606530 402354022 /nfs/dbraw/zinc/35/40/22/402354022.db2.gz XZMBPZMLEJYKRR-ZDUSSCGKSA-N 0 3 316.854 2.088 20 70 DEIDHN O=C(NCC1CCN(CCO)CC1)c1cc2c(s1)CCCC2 ZINC000160671407 402356635 /nfs/dbraw/zinc/35/66/35/402356635.db2.gz FZGZNRABFRRDKR-UHFFFAOYSA-N 0 3 322.474 2.061 20 70 DEIDHN CCC[C@@H](N)C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000161040228 402370382 /nfs/dbraw/zinc/37/03/82/402370382.db2.gz DJLJGTKIALVKSU-OWCLPIDISA-N 0 3 306.406 2.435 20 70 DEIDHN CC(C)N1C[C@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@@H](C)C1 ZINC000161392814 402385894 /nfs/dbraw/zinc/38/58/94/402385894.db2.gz DZXSNTNWTKDBQY-YOEHRIQHSA-N 0 3 312.417 2.331 20 70 DEIDHN CC(C)Oc1cc(CNC(=O)NC[C@@H]2CCCN(C)C2)ccn1 ZINC000159802181 402331175 /nfs/dbraw/zinc/33/11/75/402331175.db2.gz ALURMELQYVMMIX-HNNXBMFYSA-N 0 3 320.437 2.010 20 70 DEIDHN C[C@H](CNC(=O)N1CCC(C2CCOCC2)CC1)N(C)C1CC1 ZINC000159865027 402332385 /nfs/dbraw/zinc/33/23/85/402332385.db2.gz YKYKFGRAIJWEER-CQSZACIVSA-N 0 3 323.481 2.317 20 70 DEIDHN CN(C)C[C@@](C)(O)CNC(=O)CCC(C)(C)c1ccccc1 ZINC000161414769 402386557 /nfs/dbraw/zinc/38/65/57/402386557.db2.gz LPJDTAIUTVPOSL-SFHVURJKSA-N 0 3 306.450 2.173 20 70 DEIDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc[nH]c1=O ZINC000161510197 402389864 /nfs/dbraw/zinc/38/98/64/402389864.db2.gz PFCHZSABFOYGEL-UHFFFAOYSA-N 0 3 317.364 2.130 20 70 DEIDHN CCCN1CCCN(C(=O)COc2cccc(OC)c2)CC1 ZINC000160393100 519848934 /nfs/dbraw/zinc/84/89/34/519848934.db2.gz IQZPOWOSWGULTG-UHFFFAOYSA-N 0 3 306.406 2.018 20 70 DEIDHN CCN1CCCN(C(=O)NCCc2ccc(C)c(OC)c2)CC1 ZINC000159896338 521607707 /nfs/dbraw/zinc/60/77/07/521607707.db2.gz BFOSIPMLOGYPCZ-UHFFFAOYSA-N 0 3 319.449 2.283 20 70 DEIDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160380291 521722469 /nfs/dbraw/zinc/72/24/69/521722469.db2.gz MVYRNLPWGMERBT-NCOADZHNSA-N 0 3 321.465 2.212 20 70 DEIDHN CC[C@@H](O)CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000160630601 522979470 /nfs/dbraw/zinc/97/94/70/522979470.db2.gz NWCSMYRXVYKTFM-SJORKVTESA-N 0 3 319.449 2.284 20 70 DEIDHN Cc1cccc(-c2n[nH]cc2CN2CCC(CC(N)=O)CC2)c1 ZINC000159773200 524104370 /nfs/dbraw/zinc/10/43/70/524104370.db2.gz XJJCEDHUILONAE-UHFFFAOYSA-N 0 3 312.417 2.473 20 70 DEIDHN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)CNC[C@@H]1CCCO1 ZINC000159444570 524691579 /nfs/dbraw/zinc/69/15/79/524691579.db2.gz DHKKSRIWINIDAH-CJNGLKHVSA-N 0 3 324.852 2.498 20 70 DEIDHN O=C(NC[C@@H](O)CN1CCCCC1)C1(c2ccccc2)CCC1 ZINC000160271821 526484540 /nfs/dbraw/zinc/48/45/40/526484540.db2.gz KXMKLBNVFWZJIX-QGZVFWFLSA-N 0 3 316.445 2.071 20 70 DEIDHN CCN1CCC(NC(=O)N2CCC(C3CCOCC3)CC2)CC1 ZINC000159575860 355961933 /nfs/dbraw/zinc/96/19/33/355961933.db2.gz XWRIUUXLOLQZCI-UHFFFAOYSA-N 0 3 323.481 2.319 20 70 DEIDHN CCCCN(C)CCNC(=O)N[C@H](C)Cc1c(C)noc1C ZINC000159811709 355963054 /nfs/dbraw/zinc/96/30/54/355963054.db2.gz GDMARFMKIKQASY-GFCCVEGCSA-N 0 3 310.442 2.254 20 70 DEIDHN COCC(C)(C)NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000160199520 197392369 /nfs/dbraw/zinc/39/23/69/197392369.db2.gz ZNGFEQAAIKDJJQ-HOCLYGCPSA-N 0 3 319.449 2.374 20 70 DEIDHN O=C(NCCN1CCCCCC1)c1cccc(-c2nc[nH]n2)c1 ZINC000160003324 197379294 /nfs/dbraw/zinc/37/92/94/197379294.db2.gz VKFSTIGEGNQCHX-UHFFFAOYSA-N 0 3 313.405 2.078 20 70 DEIDHN N[C@H](Cc1ccccc1)C(=O)NCCCc1cccc(F)c1 ZINC000159451822 402324010 /nfs/dbraw/zinc/32/40/10/402324010.db2.gz VQTPQUMYMRGTOQ-QGZVFWFLSA-N 0 3 300.377 2.445 20 70 DEIDHN CCN1CCC[C@H]1CNC(=O)CCc1nnc(C2CCCC2)o1 ZINC000159568992 402325957 /nfs/dbraw/zinc/32/59/57/402325957.db2.gz WJNZNZJTFNREGE-AWEZNQCLSA-N 0 3 320.437 2.260 20 70 DEIDHN CN1CCC(NC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000160335775 402341730 /nfs/dbraw/zinc/34/17/30/402341730.db2.gz WGSPAWAFZGHZIT-INIZCTEOSA-N 0 3 319.405 2.070 20 70 DEIDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc3c(c1)OCCO3)CC2 ZINC000160451640 402345978 /nfs/dbraw/zinc/34/59/78/402345978.db2.gz VJNMZENUSIGUQX-SMDDNHRTSA-N 0 3 314.389 2.023 20 70 DEIDHN Cc1ccc(CNC(=O)N(CCN(C)C)C2CCCC2)cn1 ZINC000160455326 402346544 /nfs/dbraw/zinc/34/65/44/402346544.db2.gz MORLIJQKVKVOAN-UHFFFAOYSA-N 0 3 304.438 2.406 20 70 DEIDHN CN(C[C@@H]1CCOC1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000160685529 402356669 /nfs/dbraw/zinc/35/66/69/402356669.db2.gz XYRVBLQDEAPOKN-XJKSGUPXSA-N 0 3 306.381 2.289 20 70 DEIDHN CCO[C@H]1C[C@@H](N(C)C(=O)NC2CCN(CC)CC2)C12CCC2 ZINC000160752632 402359680 /nfs/dbraw/zinc/35/96/80/402359680.db2.gz RCCSWWVHLYRUIL-CVEARBPZSA-N 0 3 323.481 2.460 20 70 DEIDHN COC[C@@H](N[C@@H](CN1CCCC1=O)c1ccccc1)C1CC1 ZINC000160793323 402361004 /nfs/dbraw/zinc/36/10/04/402361004.db2.gz XDWLHGHVBRQKKK-DLBZAZTESA-N 0 3 302.418 2.365 20 70 DEIDHN CSCC[C@@H](N)C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000161178638 402376483 /nfs/dbraw/zinc/37/64/83/402376483.db2.gz MLXVZQRAVRIYEW-YNEHKIRRSA-N 0 3 302.484 2.024 20 70 DEIDHN CN(CCc1cccs1)C(=O)C1(N)Cc2ccccc2C1 ZINC000161395059 402385775 /nfs/dbraw/zinc/38/57/75/402385775.db2.gz RIECQVNJHNWFRS-UHFFFAOYSA-N 0 3 300.427 2.245 20 70 DEIDHN CCOCc1ccccc1CNC(=O)N1CCCN(CC)CC1 ZINC000159617792 402326958 /nfs/dbraw/zinc/32/69/58/402326958.db2.gz XZZSLDAZNXCFNA-UHFFFAOYSA-N 0 3 319.449 2.460 20 70 DEIDHN CN(C[C@@H](O)C(F)(F)F)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161403396 402386514 /nfs/dbraw/zinc/38/65/14/402386514.db2.gz PZHHIILHXGXLKX-GFCCVEGCSA-N 0 3 324.387 2.126 20 70 DEIDHN O=C(C[C@H]1CCc2ccccc21)NC[C@@H](O)CN1CCCCC1 ZINC000160178161 402337353 /nfs/dbraw/zinc/33/73/53/402337353.db2.gz FCMJOLAFQPDVTH-IAGOWNOFSA-N 0 3 316.445 2.070 20 70 DEIDHN CCCN(CCO)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000160213943 402338167 /nfs/dbraw/zinc/33/81/67/402338167.db2.gz UZCZFCUOGVYKCR-DOTOQJQBSA-N 0 3 319.449 2.063 20 70 DEIDHN CN(C)CCN(C(=O)c1cnc2c(c1)ncn2C)c1ccccc1 ZINC000160269435 402339124 /nfs/dbraw/zinc/33/91/24/402339124.db2.gz ZISNVKCWAYLUIX-UHFFFAOYSA-N 0 3 323.400 2.177 20 70 DEIDHN CC(C)N(CCN(C)C)C(=O)NCCOCc1ccccc1 ZINC000159384453 519645575 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CCC[C@H](C(=O)NC[C@H](c1ccccc1OC)N(C)C)N(C)C ZINC000161244162 291673326 /nfs/dbraw/zinc/67/33/26/291673326.db2.gz NIBCFJASEVKGEU-HZPDHXFCSA-N 0 3 321.465 2.144 20 70 DEIDHN CCCN(C)C[C@H]1CCN(c2ccc(S(C)(=O)=O)cc2)C1 ZINC000159412731 197351862 /nfs/dbraw/zinc/35/18/62/197351862.db2.gz OEPRUDIPNBNHRR-CQSZACIVSA-N 0 3 310.463 2.258 20 70 DEIDHN CS[C@@H]1CCC[C@@H](NC(=O)C2(N)Cc3ccccc3C2)C1 ZINC000159571377 295638886 /nfs/dbraw/zinc/63/88/86/295638886.db2.gz WCKBNIBNGHSIQY-HUUCEWRRSA-N 0 3 304.459 2.273 20 70 DEIDHN C[C@@H](C(=O)NCc1ccccc1Cl)N1CCC[C@@H](N(C)C)C1 ZINC000217139951 402291172 /nfs/dbraw/zinc/29/11/72/402291172.db2.gz QTIUCVPOJDHBHQ-DZGCQCFKSA-N 0 3 323.868 2.371 20 70 DEIDHN COC(=O)C[C@@H](NC(=O)[C@@H](C)N)c1ccc(C(C)(C)C)cc1 ZINC000161431651 402386938 /nfs/dbraw/zinc/38/69/38/402386938.db2.gz KDKCVQTWVCKQRO-BXUZGUMPSA-N 0 3 306.406 2.052 20 70 DEIDHN CCc1nn(C)c(Cl)c1C(=O)NCCN1CCC(C)CC1 ZINC000160462096 402346538 /nfs/dbraw/zinc/34/65/38/402346538.db2.gz 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ZINC000160408614 525698807 /nfs/dbraw/zinc/69/88/07/525698807.db2.gz NGRNAZIDIXHDJV-JSGCOSHPSA-N 0 3 306.435 2.032 20 70 DEIDHN O=C([C@H]1CCCCO1)N1CCC[C@H](NCc2ccccc2)C1 ZINC000160378874 526535874 /nfs/dbraw/zinc/53/58/74/526535874.db2.gz MEHZQZAMWAUCKX-DLBZAZTESA-N 0 3 302.418 2.336 20 70 DEIDHN C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159698243 186136054 /nfs/dbraw/zinc/13/60/54/186136054.db2.gz PRBGQSCFKVXMGK-QRTARXTBSA-N 0 3 322.424 2.265 20 70 DEIDHN Cc1c(C(=O)NCCN(C)C)cnn1-c1cc(C)ccc1C ZINC000160976215 197453712 /nfs/dbraw/zinc/45/37/12/197453712.db2.gz VTPNIEVQAWKDIB-UHFFFAOYSA-N 0 3 300.406 2.089 20 70 DEIDHN CCn1ccnc(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1=O ZINC000160223425 197393823 /nfs/dbraw/zinc/39/38/23/197393823.db2.gz NKVKBQYCEMZABK-GOEBONIOSA-N 0 3 312.417 2.196 20 70 DEIDHN CCc1ccc([C@@H](COC)NC(=O)N2CCCN(CC)CC2)o1 ZINC000159906462 197372365 /nfs/dbraw/zinc/37/23/65/197372365.db2.gz FKKHQVZKGQBACL-OAHLLOKOSA-N 0 3 323.437 2.267 20 70 DEIDHN Cc1ccc(NC(=O)C2CCN(CCOCC3CC3)CC2)nc1 ZINC000159523849 402324678 /nfs/dbraw/zinc/32/46/78/402324678.db2.gz AHHOIARDJNUEFC-UHFFFAOYSA-N 0 3 317.433 2.467 20 70 DEIDHN COc1cccc(CCCN2CCN(CC(C)(C)O)CC2)c1 ZINC000160425638 402344758 /nfs/dbraw/zinc/34/47/58/402344758.db2.gz QNFVLYXWHXTFOG-UHFFFAOYSA-N 0 3 306.450 2.016 20 70 DEIDHN C[C@H]1CN(C(=O)[C@@H](N)C(C)(C)C)C[C@H](c2ccc(F)cc2)O1 ZINC000160509899 402348714 /nfs/dbraw/zinc/34/87/14/402348714.db2.gz VCEVQHHKAHFECY-NILFDRSVSA-N 0 3 308.397 2.488 20 70 DEIDHN O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160871321 402363546 /nfs/dbraw/zinc/36/35/46/402363546.db2.gz ZDKRDFHHQWCVNQ-CYBMUJFWSA-N 0 3 321.396 2.347 20 70 DEIDHN O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160871321 402363548 /nfs/dbraw/zinc/36/35/48/402363548.db2.gz ZDKRDFHHQWCVNQ-CYBMUJFWSA-N 0 3 321.396 2.347 20 70 DEIDHN CCCCN(C)CCNC(=O)Nc1cc(C(=O)OC)cs1 ZINC000161020518 402369244 /nfs/dbraw/zinc/36/92/44/402369244.db2.gz 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O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC[C@H]1c1ccc[nH]1 ZINC000160741882 355966355 /nfs/dbraw/zinc/96/63/55/355966355.db2.gz HGOCJZAOKDJCHB-HOCLYGCPSA-N 0 3 302.422 2.346 20 70 DEIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc2cc(F)ccc2o1 ZINC000160058911 197382411 /nfs/dbraw/zinc/38/24/11/197382411.db2.gz WUBVBYJRGDEASY-CQSZACIVSA-N 0 3 320.364 2.149 20 70 DEIDHN CSCC[C@H](N)C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1 ZINC000159498697 197357769 /nfs/dbraw/zinc/35/77/69/197357769.db2.gz QDDRLUSINMJODP-AWEZNQCLSA-N 0 3 323.462 2.152 20 70 DEIDHN CCCC(=O)N1CCCC[C@H]1C(=O)N1CCCN(CCC)CC1 ZINC000160368542 402342552 /nfs/dbraw/zinc/34/25/52/402342552.db2.gz PCHFQDLQJNYKFX-INIZCTEOSA-N 0 3 323.481 2.112 20 70 DEIDHN CCc1nn(C)c(Cl)c1C(=O)NCCN1CCC[C@@H](C)C1 ZINC000160497545 402348426 /nfs/dbraw/zinc/34/84/26/402348426.db2.gz ZVTKDFHLZXWPOI-LLVKDONJSA-N 0 3 312.845 2.098 20 70 DEIDHN COc1ccc([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)c(OC)c1 ZINC000160519619 402349405 /nfs/dbraw/zinc/34/94/05/402349405.db2.gz FCMRPRYIUAIWDK-WCQYABFASA-N 0 3 316.405 2.269 20 70 DEIDHN CC(C)N1CCCN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160569168 402351371 /nfs/dbraw/zinc/35/13/71/402351371.db2.gz CQGKEORPCKCSSS-HOTGVXAUSA-N 0 3 309.454 2.070 20 70 DEIDHN CN(CCN1CCCC1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160808667 402361197 /nfs/dbraw/zinc/36/11/97/402361197.db2.gz BCSYJNQOUKBBGR-UHFFFAOYSA-N 0 3 319.331 2.005 20 70 DEIDHN CCc1cc(=O)[n-]c(CN2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC000160969490 402367897 /nfs/dbraw/zinc/36/78/97/402367897.db2.gz COPOZXKZGKTRCX-UHFFFAOYSA-N 0 3 306.454 2.298 20 70 DEIDHN CSCC[C@H](N)C(=O)NCc1ccccc1OC1CCC1 ZINC000161200117 402376865 /nfs/dbraw/zinc/37/68/65/402376865.db2.gz JFKOTITYVSOQCG-AWEZNQCLSA-N 0 3 308.447 2.315 20 70 DEIDHN C[C@@H]1CN(C(=O)[C@@H](N)C(C)(C)C)C[C@@H](c2ccc(F)cc2)O1 ZINC000160510021 296858626 /nfs/dbraw/zinc/85/86/26/296858626.db2.gz VCEVQHHKAHFECY-BYCMXARLSA-N 0 3 308.397 2.488 20 70 DEIDHN C[C@H](c1ccccc1F)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000159364860 290265177 /nfs/dbraw/zinc/26/51/77/290265177.db2.gz MOKTWHRIDXRAAF-CXAGYDPISA-N 0 3 319.424 2.301 20 70 DEIDHN CCOCCC1(C(=O)N2CCN(c3ccncc3)CC2)CCC1 ZINC000160695628 539587172 /nfs/dbraw/zinc/58/71/72/539587172.db2.gz ZBVZHKUPOVBWJA-UHFFFAOYSA-N 0 3 317.433 2.327 20 70 DEIDHN Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccccn2)cn1 ZINC000161464219 539591896 /nfs/dbraw/zinc/59/18/96/539591896.db2.gz UXDPRQBQICBSOY-UHFFFAOYSA-N 0 3 313.405 2.381 20 70 DEIDHN CSCC[C@H](N)C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000159590113 186129497 /nfs/dbraw/zinc/12/94/97/186129497.db2.gz XHMMIPSDVIABRM-JSGCOSHPSA-N 0 3 318.446 2.130 20 70 DEIDHN CCCCN(C)CCNC(=O)N[C@@H](C)Cc1c(C)noc1C ZINC000159811573 355962946 /nfs/dbraw/zinc/96/29/46/355962946.db2.gz GDMARFMKIKQASY-LBPRGKRZSA-N 0 3 310.442 2.254 20 70 DEIDHN CCCO[C@H]1CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000160730977 355966139 /nfs/dbraw/zinc/96/61/39/355966139.db2.gz IXRWHUNSYWORGQ-SJORKVTESA-N 0 3 323.481 2.461 20 70 DEIDHN CCOC(=O)CCN(C(=O)c1ccc(CN(C)C)cc1)C1CC1 ZINC000161243231 355967927 /nfs/dbraw/zinc/96/79/27/355967927.db2.gz CVXNNDQDYFBBMD-UHFFFAOYSA-N 0 3 318.417 2.306 20 70 DEIDHN C[C@@H](N)C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 ZINC000161211252 197475370 /nfs/dbraw/zinc/47/53/70/197475370.db2.gz IGBAPJXQQREFDR-LLVKDONJSA-N 0 3 317.414 2.306 20 70 DEIDHN C[C@@H]1C[C@@H](NC(=O)N2CCSCC2)CN1Cc1ccccc1 ZINC000159845860 197368150 /nfs/dbraw/zinc/36/81/50/197368150.db2.gz XRYTVXDQYGRAOD-GDBMZVCRSA-N 0 3 319.474 2.408 20 70 DEIDHN COCCC1(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CCC1 ZINC000159633696 291656710 /nfs/dbraw/zinc/65/67/10/291656710.db2.gz VNTSHFHDFUTCGQ-KRWDZBQOSA-N 0 3 318.461 2.482 20 70 DEIDHN Cc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)ncn1 ZINC000161303582 291673958 /nfs/dbraw/zinc/67/39/58/291673958.db2.gz MLRCHRIRFHVEAK-KRWDZBQOSA-N 0 3 310.401 2.352 20 70 DEIDHN Cc1nc(COc2ccc(NC(=O)[C@H]3CCCCN3)cc2)no1 ZINC000159474295 197356010 /nfs/dbraw/zinc/35/60/10/197356010.db2.gz FIHUFHUHZJXFAA-CQSZACIVSA-N 0 3 316.361 2.038 20 70 DEIDHN COc1ccc(OC)c([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)c1 ZINC000160326677 402340839 /nfs/dbraw/zinc/34/08/39/402340839.db2.gz BWEPIEKYYFBSEE-WCQYABFASA-N 0 3 316.405 2.269 20 70 DEIDHN CSc1ccc(C)c(C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160665793 402356097 /nfs/dbraw/zinc/35/60/97/402356097.db2.gz COCSOXQWNKXUGP-CQSZACIVSA-N 0 3 322.474 2.294 20 70 DEIDHN Cc1cc(C[C@@H](C)NC(=O)c2cccc(CN(C)C)c2)[nH]n1 ZINC000161139445 402374866 /nfs/dbraw/zinc/37/48/66/402374866.db2.gz SFOFZGQJXQUBHT-GFCCVEGCSA-N 0 3 300.406 2.141 20 70 DEIDHN CCCCN(C)CCNC(=O)NC[C@H](C)c1c(C)noc1C ZINC000159836928 402331705 /nfs/dbraw/zinc/33/17/05/402331705.db2.gz GUEULERFOHTUDB-LBPRGKRZSA-N 0 3 310.442 2.426 20 70 DEIDHN CCOCCC1(CNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000159998495 402335254 /nfs/dbraw/zinc/33/52/54/402335254.db2.gz PZFPFOUZSMZDRP-KBPBESRZSA-N 0 3 309.454 2.118 20 70 DEIDHN CCOCCCN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000160232468 402338875 /nfs/dbraw/zinc/33/88/75/402338875.db2.gz WJNWKZIDMZBOER-OAHLLOKOSA-N 0 3 309.385 2.448 20 70 DEIDHN C[C@H]1CCCN1C(=O)CCN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161499365 402389754 /nfs/dbraw/zinc/38/97/54/402389754.db2.gz HEJDMOLAJDWOAT-FZMZJTMJSA-N 0 3 322.371 2.023 20 70 DEIDHN COCCC1(CNC(=O)N2CCC[C@H]2CN2CCCCC2)CC1 ZINC000161119203 292302333 /nfs/dbraw/zinc/30/23/33/292302333.db2.gz OBUXQKFKAHRSER-INIZCTEOSA-N 0 3 323.481 2.463 20 70 DEIDHN Cc1ccc([C@H](CNC(=O)N2CCC[C@](C)(O)C2)N(C)C)cc1 ZINC000161209802 280984578 /nfs/dbraw/zinc/98/45/78/280984578.db2.gz UFZQLECTXLYODU-WMZOPIPTSA-N 0 3 319.449 2.154 20 70 DEIDHN CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000161334566 519881960 /nfs/dbraw/zinc/88/19/60/519881960.db2.gz LQPNOFIRZPXPFX-NSHDSACASA-N 0 3 324.856 2.411 20 70 DEIDHN CCC(CC)(CNCC(=O)Nc1cccc(OC)c1)C(=O)OC ZINC000159650656 521439850 /nfs/dbraw/zinc/43/98/50/521439850.db2.gz NIJIGCWABOOUSM-UHFFFAOYSA-N 0 3 322.405 2.203 20 70 DEIDHN CCN1CCN(C[C@@H](C)CNC(=O)[C@@H](C)c2cccs2)CC1 ZINC000160118082 521685325 /nfs/dbraw/zinc/68/53/25/521685325.db2.gz JQOJHJIMJQQRFK-GJZGRUSLSA-N 0 3 323.506 2.241 20 70 DEIDHN CSCC[C@@H](N)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160399499 525543742 /nfs/dbraw/zinc/54/37/42/525543742.db2.gz SUMQOSOTYDSKIT-DZGCQCFKSA-N 0 3 310.438 2.297 20 70 DEIDHN C[C@H](CC(=O)N(CCN(C)C)C[C@H]1CCCO1)c1ccncc1 ZINC000159617558 539582653 /nfs/dbraw/zinc/58/26/53/539582653.db2.gz SEUMOIYMFONMNT-NVXWUHKLSA-N 0 3 319.449 2.144 20 70 DEIDHN COCCC1(C(=O)N2CCN(c3ccncc3)CC2)CCCC1 ZINC000159498381 539582929 /nfs/dbraw/zinc/58/29/29/539582929.db2.gz RPVAVJXHRSZNPS-UHFFFAOYSA-N 0 3 317.433 2.327 20 70 DEIDHN CC(C)N(C(=O)[C@@H](C)N1CCN(c2ccncc2)CC1)C(C)C ZINC000161388860 539591408 /nfs/dbraw/zinc/59/14/08/539591408.db2.gz UGAGQYSLTMSZCO-MRXNPFEDSA-N 0 3 318.465 2.238 20 70 DEIDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1c(C)cc(F)cc1C ZINC000217910142 539727193 /nfs/dbraw/zinc/72/71/93/539727193.db2.gz SAGHIBXLPGPETJ-ZDUSSCGKSA-N 0 3 316.442 2.451 20 70 DEIDHN CCc1sc(C(=O)NCC2CCN(CCO)CC2)cc1C ZINC000160595272 197424895 /nfs/dbraw/zinc/42/48/95/197424895.db2.gz ABHKQGINIJVNRT-UHFFFAOYSA-N 0 3 310.463 2.053 20 70 DEIDHN CC(C)(CC(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1 ZINC000159914329 197372934 /nfs/dbraw/zinc/37/29/34/197372934.db2.gz IOKISIBPHXHBAN-QGZVFWFLSA-N 0 3 318.461 2.317 20 70 DEIDHN CCc1ccc([C@H](COC)NC(=O)N2CCCN(CC)CC2)o1 ZINC000159906586 197372332 /nfs/dbraw/zinc/37/23/32/197372332.db2.gz FKKHQVZKGQBACL-HNNXBMFYSA-N 0 3 323.437 2.267 20 70 DEIDHN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)CN)cc1 ZINC000161031839 291671778 /nfs/dbraw/zinc/67/17/78/291671778.db2.gz INTMBSAGGQUKPK-HOTGVXAUSA-N 0 3 306.406 2.240 20 70 DEIDHN Cc1cc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)ncn1 ZINC000161303705 291673967 /nfs/dbraw/zinc/67/39/67/291673967.db2.gz MLRCHRIRFHVEAK-QGZVFWFLSA-N 0 3 310.401 2.352 20 70 DEIDHN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N(CCN(C)C)C(C)C ZINC000159464050 197356177 /nfs/dbraw/zinc/35/61/77/197356177.db2.gz BHGVRBXYMPQYEX-CVEARBPZSA-N 0 3 313.486 2.419 20 70 DEIDHN CCCCN1CCCC[C@H]1CNC(=O)c1cc(OC)ccn1 ZINC000217222249 402291140 /nfs/dbraw/zinc/29/11/40/402291140.db2.gz PPIGOGLGRXBDMD-AWEZNQCLSA-N 0 3 305.422 2.475 20 70 DEIDHN CC(=O)Nc1ccc(CNCCNC(=O)OC(C)(C)C)cc1 ZINC000218084154 402294318 /nfs/dbraw/zinc/29/43/18/402294318.db2.gz PJSMMQOUMXFPQJ-UHFFFAOYSA-N 0 3 307.394 2.259 20 70 DEIDHN O=C(CN[C@@H](Cc1ccccc1)C1CC1)NCC(F)(F)F ZINC000160526863 402349414 /nfs/dbraw/zinc/34/94/14/402349414.db2.gz BHOOJFRFWHRUNC-ZDUSSCGKSA-N 0 3 300.324 2.276 20 70 DEIDHN Cc1ccc(CCCC(=O)NCC2CCN(CCO)CC2)cc1 ZINC000160595104 402352976 /nfs/dbraw/zinc/35/29/76/402352976.db2.gz WRGGBZWBJDMXJF-UHFFFAOYSA-N 0 3 318.461 2.138 20 70 DEIDHN CCc1nc(CCNC(=O)N2CCCN(CC)CC2)sc1C ZINC000159797784 402331003 /nfs/dbraw/zinc/33/10/03/402331003.db2.gz SRFVRCINLCKHDJ-UHFFFAOYSA-N 0 3 324.494 2.294 20 70 DEIDHN CCN1CCCN(C(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000159930166 402333838 /nfs/dbraw/zinc/33/38/38/402333838.db2.gz CBJSHVPLQJMCGP-LBPRGKRZSA-N 0 3 323.441 2.165 20 70 DEIDHN CC(C)NC(=O)CNC1CCN(Cc2ccccc2Cl)CC1 ZINC000160931351 519708149 /nfs/dbraw/zinc/70/81/49/519708149.db2.gz DWRQBDSHIFQCOD-UHFFFAOYSA-N 0 3 323.868 2.419 20 70 DEIDHN CCCN1CCCN(C(=O)Cc2cc(OC)ccc2OC)CC1 ZINC000160391918 519849017 /nfs/dbraw/zinc/84/90/17/519849017.db2.gz UZRSKIAMPNVJRZ-UHFFFAOYSA-N 0 3 320.433 2.191 20 70 DEIDHN CCN1CCCN(C(=O)NCc2nc(C3CC3)cs2)CC1 ZINC000160004361 521608356 /nfs/dbraw/zinc/60/83/56/521608356.db2.gz LETDCDIEGGMXLH-UHFFFAOYSA-N 0 3 308.451 2.258 20 70 DEIDHN CCN1CCCN(C(=O)N[C@@H](C)CCc2cccn2C)CC1 ZINC000159914236 521609333 /nfs/dbraw/zinc/60/93/33/521609333.db2.gz JIWRPANAHMBGQY-HNNXBMFYSA-N 0 3 306.454 2.083 20 70 DEIDHN Cc1cc(C)cc(C[C@H](C)NC(=O)CNC[C@@H]2CCCO2)c1 ZINC000161347243 524396712 /nfs/dbraw/zinc/39/67/12/524396712.db2.gz YSZMMPQZPCBTDP-RDJZCZTQSA-N 0 3 304.434 2.119 20 70 DEIDHN Cc1cc(C)cc(C[C@H](C)NC(=O)CNC[C@H]2CCCO2)c1 ZINC000161347497 524396771 /nfs/dbraw/zinc/39/67/71/524396771.db2.gz YSZMMPQZPCBTDP-DOTOQJQBSA-N 0 3 304.434 2.119 20 70 DEIDHN CNS(=O)(=O)c1cccc([C@H](C)N[C@H]2CCCSC2)c1 ZINC000159597362 186129812 /nfs/dbraw/zinc/12/98/12/186129812.db2.gz BNACSXSNQRFQDJ-AAEUAGOBSA-N 0 3 314.476 2.141 20 70 DEIDHN CN(C)Cc1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1 ZINC000159629769 186131982 /nfs/dbraw/zinc/13/19/82/186131982.db2.gz AMKCUONQSNZJDC-UHFFFAOYSA-N 0 3 311.341 2.435 20 70 DEIDHN O=C(N[C@H]1CCN(CC2CC2)C1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000160650214 355965533 /nfs/dbraw/zinc/96/55/33/355965533.db2.gz SODJZQUEMYJXFY-LSDHHAIUSA-N 0 3 317.437 2.131 20 70 DEIDHN C[C@H](N[C@H](CCO)c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000161081642 197462745 /nfs/dbraw/zinc/46/27/45/197462745.db2.gz QLPJGRLREVPUNO-KBXCAEBGSA-N 0 3 323.400 2.437 20 70 DEIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1csc2c1CCCC2 ZINC000160128558 197387807 /nfs/dbraw/zinc/38/78/07/197387807.db2.gz HUHRZCSXABLCPB-CYBMUJFWSA-N 0 3 322.474 2.204 20 70 DEIDHN CC(C)(Cc1ccccc1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000159988505 197379228 /nfs/dbraw/zinc/37/92/28/197379228.db2.gz YGKPEXDTFBBDQO-QGZVFWFLSA-N 0 3 318.461 2.218 20 70 DEIDHN C[C@H]1OCCN(C(=O)NCc2cccc(CN(C)C)c2)[C@@H]1C ZINC000159901094 197371520 /nfs/dbraw/zinc/37/15/20/197371520.db2.gz ZMBHFJICVKNSLW-ZIAGYGMSSA-N 0 3 305.422 2.067 20 70 DEIDHN O=C(CNC[C@@H]1CCCO1)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000159447783 197354422 /nfs/dbraw/zinc/35/44/22/197354422.db2.gz LJALSEIQRHEYBB-OKZBNKHCSA-N 0 3 316.445 2.283 20 70 DEIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cccc(F)c1Cl ZINC000160346955 402341574 /nfs/dbraw/zinc/34/15/74/402341574.db2.gz LMQXNQCKLVZYGX-LLVKDONJSA-N 0 3 314.788 2.056 20 70 DEIDHN CCCOc1cccc(C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160519575 402349267 /nfs/dbraw/zinc/34/92/67/402349267.db2.gz PSSZJXNJNKKDCA-MRXNPFEDSA-N 0 3 320.433 2.052 20 70 DEIDHN Cc1ccc(C)c([C@@H]2CCCN2C(=O)C(C)S(C)(=O)=O)c1 ZINC000160657970 402355275 /nfs/dbraw/zinc/35/52/75/402355275.db2.gz RIXNUVHCWMLMCZ-HIFRSBDPSA-N 0 3 309.431 2.400 20 70 DEIDHN O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160871435 402363503 /nfs/dbraw/zinc/36/35/03/402363503.db2.gz ZDKRDFHHQWCVNQ-ZDUSSCGKSA-N 0 3 321.396 2.347 20 70 DEIDHN O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000160871435 402363506 /nfs/dbraw/zinc/36/35/06/402363506.db2.gz ZDKRDFHHQWCVNQ-ZDUSSCGKSA-N 0 3 321.396 2.347 20 70 DEIDHN CSCC[C@@H](N)C(=O)Nc1ccc(-c2nccc(C)n2)cc1 ZINC000160879083 402364224 /nfs/dbraw/zinc/36/42/24/402364224.db2.gz HERMUPPNSGBGJJ-CQSZACIVSA-N 0 3 316.430 2.471 20 70 DEIDHN COC(=O)C(C)(C)c1ccc(NC(=O)[C@H](N)CC(C)C)cc1 ZINC000161039580 402370519 /nfs/dbraw/zinc/37/05/19/402370519.db2.gz TYQNQUBCYKDWOW-CQSZACIVSA-N 0 3 306.406 2.449 20 70 DEIDHN Cc1cccc(O[C@H](C)CNC(=O)C2(N)Cc3ccccc3C2)c1 ZINC000161165346 402376178 /nfs/dbraw/zinc/37/61/78/402376178.db2.gz UWQRAJDVWJREPR-OAHLLOKOSA-N 0 3 324.424 2.375 20 70 DEIDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)Nc1cnn(C)c1 ZINC000161264258 402379561 /nfs/dbraw/zinc/37/95/61/402379561.db2.gz SMQJUDGBEGHACY-UHFFFAOYSA-N 0 3 315.421 2.452 20 70 DEIDHN CCc1ccc([C@@H](CNC(=O)c2cc(C)ncn2)N(C)C)cc1 ZINC000161301718 402381469 /nfs/dbraw/zinc/38/14/69/402381469.db2.gz YMGXMEOLURIVBB-QGZVFWFLSA-N 0 3 312.417 2.380 20 70 DEIDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)N(C)CC1CCOCC1 ZINC000159771170 402330268 /nfs/dbraw/zinc/33/02/68/402330268.db2.gz SMLGKRVJSYJFOU-LSDHHAIUSA-N 0 3 311.470 2.175 20 70 DEIDHN CCN(CC)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2)c1ccccc1 ZINC000159896632 402332749 /nfs/dbraw/zinc/33/27/49/402332749.db2.gz SUSCEFVAKACQID-KSZLIROESA-N 0 3 315.461 2.422 20 70 DEIDHN CSCc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000159977009 402334271 /nfs/dbraw/zinc/33/42/71/402334271.db2.gz RPDKFRXAMYYGNN-MRXNPFEDSA-N 0 3 322.474 2.126 20 70 DEIDHN O=C(CCSc1ccccc1)NC[C@@H](O)CN1CCCCC1 ZINC000160312818 267454491 /nfs/dbraw/zinc/45/44/91/267454491.db2.gz UOZUHUXQFHDQND-OAHLLOKOSA-N 0 3 322.474 2.132 20 70 DEIDHN CCN1CCC[C@@H]1CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000161499820 279312133 /nfs/dbraw/zinc/31/21/33/279312133.db2.gz IDRVTQITOYONKT-QXSJWSMHSA-N 0 3 321.465 2.118 20 70 DEIDHN CCOc1cc(CCCNC(=O)[C@H]2CCCCN2)ccc1OC ZINC000160062513 520693776 /nfs/dbraw/zinc/69/37/76/520693776.db2.gz YAZUQIJMZFECLO-OAHLLOKOSA-N 0 3 320.433 2.285 20 70 DEIDHN CCOc1cccc(CNC(=O)N2CCCN(CC)CC2)c1 ZINC000159605343 521352885 /nfs/dbraw/zinc/35/28/85/521352885.db2.gz OESHBUOWPJUZRS-UHFFFAOYSA-N 0 3 305.422 2.323 20 70 DEIDHN CCC(CC)(CNCC(=O)NCc1ccccc1C)C(=O)OC ZINC000159658996 521440418 /nfs/dbraw/zinc/44/04/18/521440418.db2.gz PFMHMHRARSTGFA-UHFFFAOYSA-N 0 3 320.433 2.180 20 70 DEIDHN Cc1cc(C)cc(C[C@@H](C)NC(=O)CNC[C@@H]2CCCO2)c1 ZINC000161347130 524398078 /nfs/dbraw/zinc/39/80/78/524398078.db2.gz YSZMMPQZPCBTDP-WBVHZDCISA-N 0 3 304.434 2.119 20 70 DEIDHN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCN(C2CCCC2)CC1 ZINC000160406251 526936647 /nfs/dbraw/zinc/93/66/47/526936647.db2.gz AUBUMCAFSLFRFA-NVXWUHKLSA-N 0 3 321.465 2.214 20 70 DEIDHN Fc1ccc(OCCN2CCN(c3ccncc3)CC2)cc1 ZINC000161324116 539591179 /nfs/dbraw/zinc/59/11/79/539591179.db2.gz VADMCTOZXPAFLZ-UHFFFAOYSA-N 0 3 301.365 2.422 20 70 DEIDHN CCCN(CC)CCNS(=O)(=O)c1c(C)cc(F)cc1C ZINC000217902790 539726908 /nfs/dbraw/zinc/72/69/08/539726908.db2.gz UMEAVNPYVLTFNK-UHFFFAOYSA-N 0 3 316.442 2.453 20 70 DEIDHN Cc1csc(C(C)(C)NC(=O)N[C@@H]2CCN(CC3CC3)C2)n1 ZINC000160770761 355966080 /nfs/dbraw/zinc/96/60/80/355966080.db2.gz NXHNBYXRKSSVRJ-CYBMUJFWSA-N 0 3 322.478 2.470 20 70 DEIDHN CC(=O)Nc1cccc([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)c1 ZINC000160295828 197398611 /nfs/dbraw/zinc/39/86/11/197398611.db2.gz BHJKOZXCIHRDBR-MEDUHNTESA-N 0 3 313.405 2.211 20 70 DEIDHN CCN1CCCN(C(=O)NCCc2nc(C)c(C)s2)CC1 ZINC000159999470 197378390 /nfs/dbraw/zinc/37/83/90/197378390.db2.gz SATFQFJUUJLYOS-UHFFFAOYSA-N 0 3 310.467 2.040 20 70 DEIDHN CN(C[C@H]1CCOC1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000160685674 402356603 /nfs/dbraw/zinc/35/66/03/402356603.db2.gz XYRVBLQDEAPOKN-CZUORRHYSA-N 0 3 306.381 2.289 20 70 DEIDHN COCCOC[C@@H]1CCN(Cc2c(C)nc3ccccn32)C1 ZINC000160849709 402363214 /nfs/dbraw/zinc/36/32/14/402363214.db2.gz JGZOSHYWFXZCEW-OAHLLOKOSA-N 0 3 303.406 2.128 20 70 DEIDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NCc1ncccc1F ZINC000159750005 402329761 /nfs/dbraw/zinc/32/97/61/402329761.db2.gz PBUNDIJRCXYDCE-CHWSQXEVSA-N 0 3 308.401 2.140 20 70 DEIDHN CCO[C@H]1C[C@@H](NC(=O)N2CCCN(CC)CC2)C12CCC2 ZINC000159907296 402332925 /nfs/dbraw/zinc/33/29/25/402332925.db2.gz QUEBABFMOUDDHM-CABCVRRESA-N 0 3 309.454 2.071 20 70 DEIDHN CN(C)CCN(CC1CCCCC1)C(=O)NCCn1cccn1 ZINC000160037903 402335462 /nfs/dbraw/zinc/33/54/62/402335462.db2.gz HWTJSIMVAIGLEH-UHFFFAOYSA-N 0 3 321.469 2.037 20 70 DEIDHN O=C(C[C@@H]1CCc2ccccc21)NC[C@@H](O)CN1CCCCC1 ZINC000160178305 402337337 /nfs/dbraw/zinc/33/73/37/402337337.db2.gz FCMJOLAFQPDVTH-DLBZAZTESA-N 0 3 316.445 2.070 20 70 DEIDHN CCn1cc(CNc2ccc(OC3CCN(C)CC3)nc2)cn1 ZINC000160160971 402337715 /nfs/dbraw/zinc/33/77/15/402337715.db2.gz ASPONDJIGIAPGT-UHFFFAOYSA-N 0 3 315.421 2.383 20 70 DEIDHN CC(C)(C)c1ccc([C@H](O)CNC(=O)[C@H]2CCCCN2)cc1 ZINC000160970212 519049219 /nfs/dbraw/zinc/04/92/19/519049219.db2.gz GYZKWUXQTCTBOS-HZPDHXFCSA-N 0 3 304.434 2.276 20 70 DEIDHN CC[C@@H](C(=O)NCc1ccccc1-n1nc(C)cc1C)N(C)C ZINC000159414734 521853190 /nfs/dbraw/zinc/85/31/90/521853190.db2.gz AUPFZPCBCFRZHG-INIZCTEOSA-N 0 3 314.433 2.446 20 70 DEIDHN COCCC1(C(=O)NCc2ccccc2OCCN(C)C)CC1 ZINC000161091811 523010617 /nfs/dbraw/zinc/01/06/17/523010617.db2.gz ROVXPCXNOKEZFM-UHFFFAOYSA-N 0 3 320.433 2.060 20 70 DEIDHN Cc1cnccc1CCNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000160213653 526225488 /nfs/dbraw/zinc/22/54/88/526225488.db2.gz BYGAEBOSSJADIT-MRXNPFEDSA-N 0 3 318.465 2.352 20 70 DEIDHN CC(C)C[C@@H](N)C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000161302603 539590073 /nfs/dbraw/zinc/59/00/73/539590073.db2.gz ATIUBJAHWIFRSP-MRXNPFEDSA-N 0 3 318.396 2.044 20 70 DEIDHN O=C(NCCc1cscn1)N1CCC[C@H]1CN1CCCCC1 ZINC000159468940 197356216 /nfs/dbraw/zinc/35/62/16/197356216.db2.gz FXTORJLKZTXJBV-HNNXBMFYSA-N 0 3 322.478 2.346 20 70 DEIDHN O=C(NCCc1cscn1)N1CCC[C@@H]1CN1CCCCC1 ZINC000159468821 402323981 /nfs/dbraw/zinc/32/39/81/402323981.db2.gz FXTORJLKZTXJBV-OAHLLOKOSA-N 0 3 322.478 2.346 20 70 DEIDHN C[C@H](C(=O)NCc1ccccc1Cl)N1CCC[C@@H](N(C)C)C1 ZINC000217139959 402291143 /nfs/dbraw/zinc/29/11/43/402291143.db2.gz QTIUCVPOJDHBHQ-UKRRQHHQSA-N 0 3 323.868 2.371 20 70 DEIDHN CC(C)(C)OC(=O)N1CCC(CNCc2cncnc2)CC1 ZINC000218174094 402294827 /nfs/dbraw/zinc/29/48/27/402294827.db2.gz FNSMNPFYUDOCRK-UHFFFAOYSA-N 0 3 306.410 2.213 20 70 DEIDHN CSc1ccsc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160325198 402340578 /nfs/dbraw/zinc/34/05/78/402340578.db2.gz AOPKHAXDBLHGDN-LLVKDONJSA-N 0 3 314.476 2.047 20 70 DEIDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccc3c(c1)OCCO3)CC2 ZINC000160451870 402346087 /nfs/dbraw/zinc/34/60/87/402346087.db2.gz VJNMZENUSIGUQX-BXUZGUMPSA-N 0 3 314.389 2.023 20 70 DEIDHN COc1ccc(CCNC(=O)[C@H](N)CCSC)c(Cl)c1 ZINC000160606389 402354044 /nfs/dbraw/zinc/35/40/44/402354044.db2.gz XZMBPZMLEJYKRR-CYBMUJFWSA-N 0 3 316.854 2.088 20 70 DEIDHN O=C(c1ccccc1OCc1cscn1)N1CCCNCC1 ZINC000160838053 402362684 /nfs/dbraw/zinc/36/26/84/402362684.db2.gz LPCLOBOQOUOEOT-UHFFFAOYSA-N 0 3 317.414 2.158 20 70 DEIDHN COC(=O)C(C)(C)c1ccc(NC(=O)[C@H]2CCCCN2)cc1 ZINC000161039723 402370356 /nfs/dbraw/zinc/37/03/56/402370356.db2.gz JFUOIRPMPVJXKX-CQSZACIVSA-N 0 3 304.390 2.218 20 70 DEIDHN CCCN(CCO)Cc1cnc2ccc(Br)cn12 ZINC000161197727 402376843 /nfs/dbraw/zinc/37/68/43/402376843.db2.gz CQHTWRABOOOKRO-UHFFFAOYSA-N 0 3 312.211 2.301 20 70 DEIDHN CC(C)(C)[C@H](CCO)NC(=O)NCC(C)(C)N1CCCCC1 ZINC000161247046 402379189 /nfs/dbraw/zinc/37/91/89/402379189.db2.gz MVUJFPPFAUAULP-AWEZNQCLSA-N 0 3 313.486 2.347 20 70 DEIDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000161392666 402385873 /nfs/dbraw/zinc/38/58/73/402385873.db2.gz DZXSNTNWTKDBQY-PBHICJAKSA-N 0 3 312.417 2.331 20 70 DEIDHN CCOCCC1(CNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000159998751 402335224 /nfs/dbraw/zinc/33/52/24/402335224.db2.gz PZFPFOUZSMZDRP-KGLIPLIRSA-N 0 3 309.454 2.118 20 70 DEIDHN CCCN(CCO)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000160214346 402338249 /nfs/dbraw/zinc/33/82/49/402338249.db2.gz UZCZFCUOGVYKCR-WBVHZDCISA-N 0 3 319.449 2.063 20 70 DEIDHN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)CCC2CCCC2)C1 ZINC000160228098 402338929 /nfs/dbraw/zinc/33/89/29/402338929.db2.gz GLJVVCCGTJDMLI-INIZCTEOSA-N 0 3 324.465 2.300 20 70 DEIDHN CC(C)C[C@H](N)C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000161302501 519367883 /nfs/dbraw/zinc/36/78/83/519367883.db2.gz ATIUBJAHWIFRSP-INIZCTEOSA-N 0 3 318.396 2.044 20 70 DEIDHN Cc1ccccc1CN(C)C(=O)[C@@H](C)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159651662 525122033 /nfs/dbraw/zinc/12/20/33/525122033.db2.gz SDGAKBOVMCPADF-NJAFHUGGSA-N 0 3 318.461 2.435 20 70 DEIDHN Cc1ccc(C(C)(C)C(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000160066315 526243066 /nfs/dbraw/zinc/24/30/66/526243066.db2.gz IHSQJEAQHGAUIP-QGZVFWFLSA-N 0 3 318.461 2.236 20 70 DEIDHN Cc1cc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)ncn1 ZINC000161457606 539591744 /nfs/dbraw/zinc/59/17/44/539591744.db2.gz HMFMUSPFSAFUHA-QGZVFWFLSA-N 0 3 310.401 2.352 20 70 DEIDHN CCc1ccc(NC(=O)CN2CCN(c3ccncc3)CC2)cc1 ZINC000161290235 539590561 /nfs/dbraw/zinc/59/05/61/539590561.db2.gz YZQJMUIGEGBAGX-UHFFFAOYSA-N 0 3 324.428 2.405 20 70 DEIDHN C[C@H](CNC(=O)[C@H](C)N)Sc1ccc(Br)cc1 ZINC000159653099 186132796 /nfs/dbraw/zinc/13/27/96/186132796.db2.gz WBTTZYXPDCCOLA-BDAKNGLRSA-N 0 3 317.252 2.393 20 70 DEIDHN CN1CCC[C@H](CNC(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC000159511878 355961359 /nfs/dbraw/zinc/96/13/59/355961359.db2.gz XNCDWKMNLDYUSH-GFCCVEGCSA-N 0 3 319.430 2.404 20 70 DEIDHN CCCO[C@@H]1CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000160730848 355966812 /nfs/dbraw/zinc/96/68/12/355966812.db2.gz IXRWHUNSYWORGQ-IAGOWNOFSA-N 0 3 323.481 2.461 20 70 DEIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1nccc(N(C)C)n1 ZINC000160240398 197395276 /nfs/dbraw/zinc/39/52/76/197395276.db2.gz APYOWPDVENAVRL-HOCLYGCPSA-N 0 3 311.433 2.475 20 70 DEIDHN Cc1nnc2ccc(N[C@H]3CN(Cc4ccccc4)C[C@@H]3C)nn12 ZINC000160242447 197394461 /nfs/dbraw/zinc/39/44/61/197394461.db2.gz FOCJIUVDAWSENW-BBRMVZONSA-N 0 3 322.416 2.365 20 70 DEIDHN CCS(=O)(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000160008329 197379459 /nfs/dbraw/zinc/37/94/59/197379459.db2.gz HYJWYFOIFPWSPV-ZBFHGGJFSA-N 0 3 310.463 2.321 20 70 DEIDHN CCCN(C)C[C@@H]1CCN(c2ccc(S(C)(=O)=O)cc2)C1 ZINC000159412557 197351166 /nfs/dbraw/zinc/35/11/66/197351166.db2.gz OEPRUDIPNBNHRR-AWEZNQCLSA-N 0 3 310.463 2.258 20 70 DEIDHN Cn1ccnc1CNC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218238541 402295362 /nfs/dbraw/zinc/29/53/62/402295362.db2.gz UAFIEMUKZDKSMG-CYBMUJFWSA-N 0 3 308.426 2.157 20 70 DEIDHN CC(C)(C(=O)NC[C@@H](O)CN1CCCCC1)c1cccc(F)c1 ZINC000160467470 402346931 /nfs/dbraw/zinc/34/69/31/402346931.db2.gz IYZUBOVMMOJKAR-MRXNPFEDSA-N 0 3 322.424 2.066 20 70 DEIDHN CCC[C@@H]1CN(C(=O)NCCN(C)Cc2ccccc2)CCO1 ZINC000160519478 402349502 /nfs/dbraw/zinc/34/95/02/402349502.db2.gz ZYYNJBGTYHQYQV-QGZVFWFLSA-N 0 3 319.449 2.329 20 70 DEIDHN COc1ccc([C@H](C)N[C@H]2CCc3nc(C)nn3C2)c(OC)c1 ZINC000160519762 402349535 /nfs/dbraw/zinc/34/95/35/402349535.db2.gz FCMRPRYIUAIWDK-AAEUAGOBSA-N 0 3 316.405 2.269 20 70 DEIDHN COC(=O)CCC1CCN(Cc2cnc3ccccn23)CC1 ZINC000161443911 402387788 /nfs/dbraw/zinc/38/77/88/402387788.db2.gz GJEQBNWQNSMECB-UHFFFAOYSA-N 0 3 301.390 2.500 20 70 DEIDHN Cc1ccccc1[C@H]1CN(C(=O)[C@H](N)Cc2ccccc2)CCO1 ZINC000160841357 402362423 /nfs/dbraw/zinc/36/24/23/402362423.db2.gz RKZBSAKTPFADSP-RTBURBONSA-N 0 3 324.424 2.465 20 70 DEIDHN CC[C@@H](CNC(=O)[C@@H](C)N)Cc1cccc(Br)c1 ZINC000161224169 402378153 /nfs/dbraw/zinc/37/81/53/402378153.db2.gz WNJXOOUEAIIRRS-GHMZBOCLSA-N 0 3 313.239 2.481 20 70 DEIDHN Cc1cc(C(=O)NC(C)(C)CN(C)Cc2ccccc2)n(C)n1 ZINC000161241846 402378851 /nfs/dbraw/zinc/37/88/51/402378851.db2.gz JSSNDNPLIVGHHD-UHFFFAOYSA-N 0 3 314.433 2.369 20 70 DEIDHN COc1cc(CCC(=O)NC2CCN(C)CC2)ccc1Cl ZINC000161075768 224721181 /nfs/dbraw/zinc/72/11/81/224721181.db2.gz KFHXLOBBJMYMMH-UHFFFAOYSA-N 0 3 310.825 2.492 20 70 DEIDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(F)cc1N(C)C)CC2 ZINC000160509672 293554813 /nfs/dbraw/zinc/55/48/13/293554813.db2.gz BPURFPFCWWUGFH-SMDDNHRTSA-N 0 3 317.412 2.457 20 70 DEIDHN CN(CCCNC(=O)NO[C@@H]1CCCCO1)Cc1ccccc1 ZINC000161477870 522763623 /nfs/dbraw/zinc/76/36/23/522763623.db2.gz VEUZXKPQHZXBCL-MRXNPFEDSA-N 0 3 321.421 2.266 20 70 DEIDHN CN(CCCOCCc1ccccc1)[C@@H]1CCCCNC1=O ZINC000160299686 522778229 /nfs/dbraw/zinc/77/82/29/522778229.db2.gz IMEXIHLXJIKAAJ-QGZVFWFLSA-N 0 3 304.434 2.236 20 70 DEIDHN C[C@H](N)C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 ZINC000161211119 524822839 /nfs/dbraw/zinc/82/28/39/524822839.db2.gz IGBAPJXQQREFDR-NSHDSACASA-N 0 3 317.414 2.306 20 70 DEIDHN CS[C@H]1CCC[C@@H](NC(=O)C2(N)Cc3ccccc3C2)C1 ZINC000159571529 295667920 /nfs/dbraw/zinc/66/79/20/295667920.db2.gz WCKBNIBNGHSIQY-CABCVRRESA-N 0 3 304.459 2.273 20 70 DEIDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000160649837 355965070 /nfs/dbraw/zinc/96/50/70/355965070.db2.gz SODJZQUEMYJXFY-CABCVRRESA-N 0 3 317.437 2.131 20 70 DEIDHN O=C(CNC[C@H]1CCCO1)N1CCSC2(CCCCC2)C1 ZINC000161450390 283847416 /nfs/dbraw/zinc/84/74/16/283847416.db2.gz AMNVTPCYHAMNHD-CQSZACIVSA-N 0 3 312.479 2.033 20 70 DEIDHN CN(C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCOC1 ZINC000160066174 197383826 /nfs/dbraw/zinc/38/38/26/197383826.db2.gz HNBMITXOFBQGSH-KGLIPLIRSA-N 0 3 303.324 2.330 20 70 DEIDHN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000159474365 197355732 /nfs/dbraw/zinc/35/57/32/197355732.db2.gz QDRYTECVKVPXKX-ABAIWWIYSA-N 0 3 310.825 2.433 20 70 DEIDHN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000159474365 197355734 /nfs/dbraw/zinc/35/57/34/197355734.db2.gz QDRYTECVKVPXKX-ABAIWWIYSA-N 0 3 310.825 2.433 20 70 DEIDHN CSCC[C@@H](N)C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000159593563 402326291 /nfs/dbraw/zinc/32/62/91/402326291.db2.gz XHMMIPSDVIABRM-GXTWGEPZSA-N 0 3 318.446 2.130 20 70 DEIDHN CCCN(CCN(CC)CC)C(=O)c1cc(C(C)=O)cn1C ZINC000160533250 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CCc1ccc([C@H](CNC(=O)NCC[C@@H](O)CC)N(C)C)cc1 ZINC000160745321 524048648 /nfs/dbraw/zinc/04/86/48/524048648.db2.gz ZXWJBPSPPOWXJJ-IRXDYDNUSA-N 0 3 321.465 2.312 20 70 DEIDHN C[C@@H]1CCCN(CCNC(=O)[C@H](O)c2ccccc2Cl)C1 ZINC000159542939 524225059 /nfs/dbraw/zinc/22/50/59/524225059.db2.gz WEDXPQYKSJUJHT-IUODEOHRSA-N 0 3 310.825 2.222 20 70 DEIDHN CSCC[C@@H](N)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000160575658 525544916 /nfs/dbraw/zinc/54/49/16/525544916.db2.gz IEPWNAHLRQHTNQ-SWLSCSKDSA-N 0 3 318.446 2.130 20 70 DEIDHN O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCN(C2CCCC2)CC1 ZINC000160405986 526939901 /nfs/dbraw/zinc/93/99/01/526939901.db2.gz AUBUMCAFSLFRFA-WBVHZDCISA-N 0 3 321.465 2.214 20 70 DEIDHN CCN1CCN(C[C@H](C)CNC(=O)[C@H](C)c2ccsc2)CC1 ZINC000160120129 355964320 /nfs/dbraw/zinc/96/43/20/355964320.db2.gz YUMRMYPJJYXLRE-HUUCEWRRSA-N 0 3 323.506 2.241 20 70 DEIDHN O=C(NCCCNc1ccccc1)N[C@H]1CCN(CC2CC2)C1 ZINC000160731749 355966445 /nfs/dbraw/zinc/96/64/45/355966445.db2.gz 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CCC[C@H](N)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000159651392 521112333 /nfs/dbraw/zinc/11/23/33/521112333.db2.gz ARADMJGJGFLTNQ-LBPRGKRZSA-N 0 3 322.796 2.176 20 70 DEIDHN CCC(CC)(CNCC(=O)Nc1cccc(F)c1)C(=O)OC ZINC000159669667 521440311 /nfs/dbraw/zinc/44/03/11/521440311.db2.gz PWSYIMSFVVKYFA-UHFFFAOYSA-N 0 3 310.369 2.333 20 70 DEIDHN C[C@H]1OCCN(C(=O)NCc2cccc(CN(C)C)c2)[C@H]1C ZINC000159901186 525020631 /nfs/dbraw/zinc/02/06/31/525020631.db2.gz ZMBHFJICVKNSLW-UONOGXRCSA-N 0 3 305.422 2.067 20 70 DEIDHN CCC(CC)N(CCOC)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160754109 355966123 /nfs/dbraw/zinc/96/61/23/355966123.db2.gz IMXXXARRPJNOBP-HNNXBMFYSA-N 0 3 311.470 2.317 20 70 DEIDHN Cc1ccc(SCC(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000160176767 197391708 /nfs/dbraw/zinc/39/17/08/197391708.db2.gz OSBKZNPGGGSBPG-OAHLLOKOSA-N 0 3 322.474 2.050 20 70 DEIDHN C[C@@H](NCC1(CO)CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000160117642 197386888 /nfs/dbraw/zinc/38/68/88/197386888.db2.gz VNQJZFVLSCGQNX-CYBMUJFWSA-N 0 3 311.447 2.293 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CC(C)[C@@H](C(=O)NC[C@H](C[C@@H](C)O)c1ccccc1)N(C)C ZINC000159516578 197359418 /nfs/dbraw/zinc/35/94/18/197359418.db2.gz VHDMBQWKKBMUCA-PVAVHDDUSA-N 0 3 306.450 2.244 20 70 DEIDHN O=C(CNC[C@@H]1CCCO1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000159447532 197354337 /nfs/dbraw/zinc/35/43/37/197354337.db2.gz LJALSEIQRHEYBB-BZSNNMDCSA-N 0 3 316.445 2.283 20 70 DEIDHN C[C@H](CC(=O)NC[C@@H](O)CN1CCCCC1)c1ccc(F)cc1 ZINC000160447131 402346102 /nfs/dbraw/zinc/34/61/02/402346102.db2.gz KHCPHNZCSNHSRI-RHSMWYFYSA-N 0 3 322.424 2.282 20 70 DEIDHN C[C@@H](Sc1ccccc1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160531290 402349905 /nfs/dbraw/zinc/34/99/05/402349905.db2.gz UAGBGGFNIGEAGM-HUUCEWRRSA-N 0 3 322.474 2.130 20 70 DEIDHN Cc1cc(Cl)ccc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160535745 402349982 /nfs/dbraw/zinc/34/99/82/402349982.db2.gz ARMBMXQCQFRDRS-CQSZACIVSA-N 0 3 310.825 2.225 20 70 DEIDHN Cc1ccccc1[C@@H]1CN(C(=O)[C@H](N)Cc2ccccc2)CCO1 ZINC000160841234 402362362 /nfs/dbraw/zinc/36/23/62/402362362.db2.gz RKZBSAKTPFADSP-MOPGFXCFSA-N 0 3 324.424 2.465 20 70 DEIDHN COc1ccc(NC(=O)[C@@H](C)N)cc1NC(=O)C1CCCCC1 ZINC000160920445 402366056 /nfs/dbraw/zinc/36/60/56/402366056.db2.gz FSPHNTILHUOYPJ-LLVKDONJSA-N 0 3 319.405 2.500 20 70 DEIDHN CSCC[C@H](N)C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000161022364 402370056 /nfs/dbraw/zinc/37/00/56/402370056.db2.gz XNBMUAPFLJNRMQ-KPXOXKRLSA-N 0 3 300.374 2.017 20 70 DEIDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc[nH]c1=O ZINC000161035974 402370212 /nfs/dbraw/zinc/37/02/12/402370212.db2.gz DJJBWOWALLROPO-UHFFFAOYSA-N 0 3 317.364 2.130 20 70 DEIDHN COCC(C)(C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000161229386 402378269 /nfs/dbraw/zinc/37/82/69/402378269.db2.gz QPGMIHHTHSFFHW-CQSZACIVSA-N 0 3 319.449 2.396 20 70 DEIDHN Cc1ccccc1CNC(=O)[C@H](C)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159690701 402328334 /nfs/dbraw/zinc/32/83/34/402328334.db2.gz HPZMOBBYUHBFJD-XIRDDKMYSA-N 0 3 304.434 2.093 20 70 DEIDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N(C)CC1CCOCC1 ZINC000159771016 402330385 /nfs/dbraw/zinc/33/03/85/402330385.db2.gz SMLGKRVJSYJFOU-HUUCEWRRSA-N 0 3 311.470 2.175 20 70 DEIDHN COCC(C)(C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000159973091 402334503 /nfs/dbraw/zinc/33/45/03/402334503.db2.gz QWOBGXXCLAOSEO-ZBFHGGJFSA-N 0 3 319.449 2.231 20 70 DEIDHN CC[C@@H](C(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1 ZINC000160199294 402338337 /nfs/dbraw/zinc/33/83/37/402338337.db2.gz VGGHZPLAMJWSLD-IAGOWNOFSA-N 0 3 304.434 2.143 20 70 DEIDHN Cc1ccc([C@H](CNC(=O)N2CCC[C@@](C)(O)C2)N(C)C)cc1 ZINC000161209554 280984761 /nfs/dbraw/zinc/98/47/61/280984761.db2.gz UFZQLECTXLYODU-FUHWJXTLSA-N 0 3 319.449 2.154 20 70 DEIDHN COc1cc2c(cc1CNC[C@@](C)(O)CSC)O[C@@H](C)C2 ZINC000217847657 337319357 /nfs/dbraw/zinc/31/93/57/337319357.db2.gz ZMXOSJNIQCRNOL-MEDUHNTESA-N 0 3 311.447 2.222 20 70 DEIDHN CCC(CC)(CNCC(=O)NCc1cccc(C)c1)C(=O)OC ZINC000159668092 521440623 /nfs/dbraw/zinc/44/06/23/521440623.db2.gz BKMRKJCKJWDIMS-UHFFFAOYSA-N 0 3 320.433 2.180 20 70 DEIDHN COCCCN(C)CCNC(=O)C(C)(C)c1ccc(OC)cc1 ZINC000160004733 523218706 /nfs/dbraw/zinc/21/87/06/523218706.db2.gz LSJYXWTXYLPBCR-UHFFFAOYSA-N 0 3 322.449 2.057 20 70 DEIDHN Cc1nccn1-c1ccc([C@H](C)NCC(=O)NC(C)C)cc1 ZINC000160956501 527380749 /nfs/dbraw/zinc/38/07/49/527380749.db2.gz MLWVACJBQDVFAQ-ZDUSSCGKSA-N 0 3 300.406 2.356 20 70 DEIDHN Cc1ccc(NC(=O)CN2CCN(c3ccncc3)CC2)cc1 ZINC000161294442 539590160 /nfs/dbraw/zinc/59/01/60/539590160.db2.gz AYRCVTRPXZMMBB-UHFFFAOYSA-N 0 3 310.401 2.151 20 70 DEIDHN COC(=O)c1cccc(CN2CCN(c3ccncc3)CC2)c1 ZINC000161351719 355969070 /nfs/dbraw/zinc/96/90/70/355969070.db2.gz YYBHCDICSWAATP-UHFFFAOYSA-N 0 3 311.385 2.190 20 70 DEIDHN COc1ccc(C2(CNC(=O)[C@H](C)N)CCCCC2)cc1OC ZINC000160139883 197388892 /nfs/dbraw/zinc/38/88/92/197388892.db2.gz RJRMOFGYTCMPPV-ZDUSSCGKSA-N 0 3 320.433 2.369 20 70 DEIDHN O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)[C@@H]1CCCCN1 ZINC000159420708 197352203 /nfs/dbraw/zinc/35/22/03/197352203.db2.gz XGDNSKQKDFBURG-ULQDDVLXSA-N 0 3 318.417 2.450 20 70 DEIDHN CC(C)N(CCN(C)C)C(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000159396038 197350994 /nfs/dbraw/zinc/35/09/94/197350994.db2.gz SXXMFBGNUPDLBG-SJORKVTESA-N 0 3 319.449 2.498 20 70 DEIDHN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)N(CCN(C)C)C(C)C ZINC000159463909 402324175 /nfs/dbraw/zinc/32/41/75/402324175.db2.gz BHGVRBXYMPQYEX-HZPDHXFCSA-N 0 3 313.486 2.419 20 70 DEIDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(-n3ccnc3)cc1)CC2 ZINC000160484950 402347403 /nfs/dbraw/zinc/34/74/03/402347403.db2.gz OTNRUEDIBNVWFN-CZUORRHYSA-N 0 3 322.416 2.438 20 70 DEIDHN COc1ccc2c(c1)CCC[C@H]2NCC(=O)NCC(F)(F)F ZINC000160605983 402353953 /nfs/dbraw/zinc/35/39/53/402353953.db2.gz CMASVJVVMJBPOX-CYBMUJFWSA-N 0 3 316.323 2.341 20 70 DEIDHN CC(C)(C(=O)NC[C@@H](O)CN1CCCCC1)c1ccc(F)cc1 ZINC000160636998 402355032 /nfs/dbraw/zinc/35/50/32/402355032.db2.gz MQVIBMRFHAGNMJ-MRXNPFEDSA-N 0 3 322.424 2.066 20 70 DEIDHN Cc1ccc(C)c([C@H]2CCCN2C(=O)C(C)S(C)(=O)=O)c1 ZINC000160658312 402355536 /nfs/dbraw/zinc/35/55/36/402355536.db2.gz RIXNUVHCWMLMCZ-DZGCQCFKSA-N 0 3 309.431 2.400 20 70 DEIDHN CCO[C@H]1C[C@@H](N(C)C(=O)NC2CCN(C)CC2)C12CCC2 ZINC000160714610 402357923 /nfs/dbraw/zinc/35/79/23/402357923.db2.gz GHLTUMDJLGWORJ-CABCVRRESA-N 0 3 309.454 2.070 20 70 DEIDHN CC(C)CCn1ccc(NC(=O)NC[C@@H]2CCCN(C)C2)n1 ZINC000160882274 402364377 /nfs/dbraw/zinc/36/43/77/402364377.db2.gz QQMNMFYEIDBWHF-AWEZNQCLSA-N 0 3 307.442 2.393 20 70 DEIDHN COC(=O)C(C)(C)c1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1 ZINC000161041944 402370149 /nfs/dbraw/zinc/37/01/49/402370149.db2.gz QAPZGNHZIMTKLD-CYBMUJFWSA-N 0 3 306.406 2.449 20 70 DEIDHN CN(C)C(=O)c1cc(NC(=O)C2(N)CCCCC2)ccc1F ZINC000161410419 402386213 /nfs/dbraw/zinc/38/62/13/402386213.db2.gz JKADDSSGWPGEFL-UHFFFAOYSA-N 0 3 307.369 2.128 20 70 DEIDHN CCN1CCCN(C(=O)N[C@@H]2COc3ccc(C)cc32)CC1 ZINC000159999920 402334995 /nfs/dbraw/zinc/33/49/95/402334995.db2.gz MTFVUTLIRCBSFN-OAHLLOKOSA-N 0 3 303.406 2.166 20 70 DEIDHN CCN1CCCC[C@@H]1CNC(=O)NCC1(CCOC)CCC1 ZINC000160100285 402336416 /nfs/dbraw/zinc/33/64/16/402336416.db2.gz QPPATQSYBPFDFF-OAHLLOKOSA-N 0 3 311.470 2.367 20 70 DEIDHN C[C@H](CCO)NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000160203094 402338289 /nfs/dbraw/zinc/33/82/89/402338289.db2.gz RKSNXOQYXHWTIK-CABCVRRESA-N 0 3 319.449 2.282 20 70 DEIDHN CCCN1CCCN(C(=O)c2cc(-c3ccco3)n[nH]2)CC1 ZINC000160397557 519850889 /nfs/dbraw/zinc/85/08/89/519850889.db2.gz CWUVNEVJGXVATP-UHFFFAOYSA-N 0 3 302.378 2.228 20 70 DEIDHN CCOc1ccccc1CNC(=O)N1CCCN(CC)CC1 ZINC000159732239 521492335 /nfs/dbraw/zinc/49/23/35/521492335.db2.gz FHMNZPCXCPLDSN-UHFFFAOYSA-N 0 3 305.422 2.323 20 70 DEIDHN COCCN(C)CCCNC(=O)c1cc(F)cc2cccnc21 ZINC000160342061 523583826 /nfs/dbraw/zinc/58/38/26/523583826.db2.gz OJMKQYPTMIDYSC-UHFFFAOYSA-N 0 3 319.380 2.072 20 70 DEIDHN CCCC(O)(CCC)CNC(=O)NC[C@@H]1CCCCN1CC ZINC000159623215 355961675 /nfs/dbraw/zinc/96/16/75/355961675.db2.gz DMEDCEOFMJTZLJ-HNNXBMFYSA-N 0 3 313.486 2.491 20 70 DEIDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000160649959 355964980 /nfs/dbraw/zinc/96/49/80/355964980.db2.gz SODJZQUEMYJXFY-HUUCEWRRSA-N 0 3 317.437 2.131 20 70 DEIDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccncc1C(N)=O ZINC000160218237 197393103 /nfs/dbraw/zinc/39/31/03/197393103.db2.gz FMYOOLAOJVBXSI-DYVFJYSZSA-N 0 3 310.401 2.113 20 70 DEIDHN COc1ccc([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)c(OC)c1 ZINC000160520010 402349491 /nfs/dbraw/zinc/34/94/91/402349491.db2.gz FCMRPRYIUAIWDK-YPMHNXCESA-N 0 3 316.405 2.269 20 70 DEIDHN COc1ccc([C@H](C)[C@H](C)NCC(=O)NCC(F)(F)F)cc1 ZINC000160586812 402352460 /nfs/dbraw/zinc/35/24/60/402352460.db2.gz YZENRXCMZLLDKX-MNOVXSKESA-N 0 3 318.339 2.455 20 70 DEIDHN CCN(CCCNCc1cc(F)cc(Cl)c1)S(C)(=O)=O ZINC000160906366 402365335 /nfs/dbraw/zinc/36/53/35/402365335.db2.gz SVVVQIJQZLVSKZ-UHFFFAOYSA-N 0 3 322.833 2.240 20 70 DEIDHN CN(C)CCn1ccc(NC(=O)N(CC2CC2)CC2CC2)n1 ZINC000161091765 402372892 /nfs/dbraw/zinc/37/28/92/402372892.db2.gz XBWZKNBXPYBONF-UHFFFAOYSA-N 0 3 305.426 2.099 20 70 DEIDHN O=C([C@H]1CCCCN1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000161322558 402382610 /nfs/dbraw/zinc/38/26/10/402382610.db2.gz LYUCCCGWQKRBCO-IAGOWNOFSA-N 0 3 302.418 2.194 20 70 DEIDHN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)CNCC1CC1 ZINC000161060474 520351195 /nfs/dbraw/zinc/35/11/95/520351195.db2.gz NAENUBKCKAHSHI-UHFFFAOYSA-N 0 3 317.433 2.090 20 70 DEIDHN CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000159624638 521601362 /nfs/dbraw/zinc/60/13/62/521601362.db2.gz OBUNSZPJRURRMP-ZDUSSCGKSA-N 0 3 309.385 2.205 20 70 DEIDHN CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000159624638 521601368 /nfs/dbraw/zinc/60/13/68/521601368.db2.gz OBUNSZPJRURRMP-ZDUSSCGKSA-N 0 3 309.385 2.205 20 70 DEIDHN COc1cc(C)cc(CNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000159997856 522239819 /nfs/dbraw/zinc/23/98/19/522239819.db2.gz FFYRFSPSARQTKT-DZGCQCFKSA-N 0 3 317.433 2.428 20 70 DEIDHN COc1cc(C)ccc1CNC(=O)N(CCN(C)C)C(C)C ZINC000159605172 522258419 /nfs/dbraw/zinc/25/84/19/522258419.db2.gz RYTOCUKBBIXUKJ-UHFFFAOYSA-N 0 3 307.438 2.485 20 70 DEIDHN CSCC[C@H](N)C(=O)NCCOc1ccccc1C(C)C ZINC000159840159 525580689 /nfs/dbraw/zinc/58/06/89/525580689.db2.gz VJTPQVMKEVKVLZ-AWEZNQCLSA-N 0 3 310.463 2.385 20 70 DEIDHN Cc1ccccc1NC(=O)CN1CCN(c2ccncc2)CC1 ZINC000161288126 539590093 /nfs/dbraw/zinc/59/00/93/539590093.db2.gz GKLYWYYXWLSGPV-UHFFFAOYSA-N 0 3 310.401 2.151 20 70 DEIDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C1 ZINC000160343561 283096583 /nfs/dbraw/zinc/09/65/83/283096583.db2.gz UZZAVZYRBQXDEN-VQHPVUNQSA-N 0 3 321.465 2.070 20 70 DEIDHN C[C@H]1C[C@@H](NC(=O)N2CCOC[C@@H]2C)CN1Cc1ccccc1 ZINC000159884116 291074135 /nfs/dbraw/zinc/07/41/35/291074135.db2.gz QTSFKULCQGABEZ-YQQAZPJKSA-N 0 3 317.433 2.080 20 70 DEIDHN CN1CCC[C@H](CNC(=O)N2CCc3cccc(F)c3C2)C1 ZINC000159787506 355961729 /nfs/dbraw/zinc/96/17/29/355961729.db2.gz JLPRHJZGZXWTBV-CYBMUJFWSA-N 0 3 305.397 2.235 20 70 DEIDHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H](C)c2ccsc2)CC1 ZINC000160119855 355964303 /nfs/dbraw/zinc/96/43/03/355964303.db2.gz YUMRMYPJJYXLRE-CABCVRRESA-N 0 3 323.506 2.241 20 70 DEIDHN CCN1CCC(NC(=O)Nc2cc(C(=O)OC)cs2)CC1 ZINC000160982989 355967989 /nfs/dbraw/zinc/96/79/89/355967989.db2.gz MKVAGQCBKRCAKY-UHFFFAOYSA-N 0 3 311.407 2.141 20 70 DEIDHN C[C@@H](NC(=O)CN1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000161298677 355967996 /nfs/dbraw/zinc/96/79/96/355967996.db2.gz MSZQXJGILVRYIJ-MRXNPFEDSA-N 0 3 324.428 2.081 20 70 DEIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1cn[nH]c(=O)c1Cl ZINC000160243962 197394877 /nfs/dbraw/zinc/39/48/77/197394877.db2.gz DQDTWUJPTJNRMX-FZMZJTMJSA-N 0 3 318.808 2.356 20 70 DEIDHN CCn1ccnc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1=O ZINC000160223563 197393855 /nfs/dbraw/zinc/39/38/55/197393855.db2.gz NKVKBQYCEMZABK-HOCLYGCPSA-N 0 3 312.417 2.196 20 70 DEIDHN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@]2(F)CCNC2)cc1 ZINC000159537916 197360661 /nfs/dbraw/zinc/36/06/61/197360661.db2.gz BJOZDOMPDAUYHM-RYRKJORJSA-N 0 3 320.408 2.281 20 70 DEIDHN COc1cccc2c1CC[C@@H]2NC(=O)NCCN1CCCCC1 ZINC000160277664 402340104 /nfs/dbraw/zinc/34/01/04/402340104.db2.gz KZWDHBSNQLHHLP-INIZCTEOSA-N 0 3 317.433 2.468 20 70 DEIDHN COc1ccc([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)c(F)c1 ZINC000160329082 402341154 /nfs/dbraw/zinc/34/11/54/402341154.db2.gz BLKKNMCVRXUURX-ZYHUDNBSSA-N 0 3 304.369 2.400 20 70 DEIDHN CN1CCC(NC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000160335634 402341481 /nfs/dbraw/zinc/34/14/81/402341481.db2.gz WGSPAWAFZGHZIT-MRXNPFEDSA-N 0 3 319.405 2.070 20 70 DEIDHN C[C@@H](CC(=O)NC[C@@H](O)CN1CCCCC1)c1cccc(F)c1 ZINC000160514773 402348587 /nfs/dbraw/zinc/34/85/87/402348587.db2.gz ZZEMEFVSUJMEMB-WMLDXEAASA-N 0 3 322.424 2.282 20 70 DEIDHN COC(CN1CCCC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C)OC ZINC000160831812 402361843 /nfs/dbraw/zinc/36/18/43/402361843.db2.gz UMQIMQFLDWGXJR-QWHCGFSZSA-N 0 3 316.442 2.373 20 70 DEIDHN C[C@H](CCO)CNC(=O)c1oc2ccccc2c1CN(C)C ZINC000161046344 402370915 /nfs/dbraw/zinc/37/09/15/402370915.db2.gz VIUMDMFMDMCHBR-GFCCVEGCSA-N 0 3 304.390 2.243 20 70 DEIDHN COc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)cc(OC)c1[O-] ZINC000161075136 402372148 /nfs/dbraw/zinc/37/21/48/402372148.db2.gz DEZJLDDXNCLDEA-UHFFFAOYSA-N 0 3 322.405 2.012 20 70 DEIDHN CC[C@@H]1CCCCN1CCNC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000161391147 402385660 /nfs/dbraw/zinc/38/56/60/402385660.db2.gz PGBDEIDDIPZWCY-XHSDSOJGSA-N 0 3 311.470 2.053 20 70 DEIDHN O=C(CCc1cccc(Cl)c1)NC[C@@H](O)CN1CCCCC1 ZINC000159923836 402333593 /nfs/dbraw/zinc/33/35/93/402333593.db2.gz CDUIYBFIEUJHAH-MRXNPFEDSA-N 0 3 324.852 2.236 20 70 DEIDHN CC(=O)c1cccc(S(=O)(=O)N[C@@H](CN)C2CCCCC2)c1 ZINC000160157383 402337050 /nfs/dbraw/zinc/33/70/50/402337050.db2.gz KUTCTTQVSPASPZ-INIZCTEOSA-N 0 3 324.446 2.075 20 70 DEIDHN CCCCn1ncc(NC(=O)NC[C@@H]2CCCN(C)C2)c1C ZINC000160241440 402338825 /nfs/dbraw/zinc/33/88/25/402338825.db2.gz UWWGZBJJSNNYSF-AWEZNQCLSA-N 0 3 307.442 2.455 20 70 DEIDHN CCc1ccc([C@@H](CNC(=O)NCC[C@@H](O)CC)N(C)C)cc1 ZINC000160745195 524029546 /nfs/dbraw/zinc/02/95/46/524029546.db2.gz ZXWJBPSPPOWXJJ-DLBZAZTESA-N 0 3 321.465 2.312 20 70 DEIDHN Cc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)c(C)n1C(C)C ZINC000160400205 524088043 /nfs/dbraw/zinc/08/80/43/524088043.db2.gz CDSROEGVESDBOB-MRXNPFEDSA-N 0 3 321.465 2.262 20 70 DEIDHN C[C@@H](N[C@H](CCO)c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000161081768 525667357 /nfs/dbraw/zinc/66/73/57/525667357.db2.gz QLPJGRLREVPUNO-RDTXWAMCSA-N 0 3 323.400 2.437 20 70 DEIDHN CN(C)Cc1ccc(C(=O)NCCCOCC(F)(F)F)cc1 ZINC000160019751 197380494 /nfs/dbraw/zinc/38/04/94/197380494.db2.gz RZYYJAQXOZDSRZ-UHFFFAOYSA-N 0 3 318.339 2.447 20 70 DEIDHN CCN1CCCN(C(=O)NC[C@H]2CCOc3ccccc32)CC1 ZINC000159837189 197368094 /nfs/dbraw/zinc/36/80/94/197368094.db2.gz UWGSPNGIXCEJBU-OAHLLOKOSA-N 0 3 317.433 2.290 20 70 DEIDHN Cc1cnn(-c2ccc(NC(=O)[C@H]3CCCCN3)cc2F)c1 ZINC000159774854 197363858 /nfs/dbraw/zinc/36/38/58/197363858.db2.gz UWUKXAXWUUEHDI-CQSZACIVSA-N 0 3 302.353 2.400 20 70 DEIDHN CSCC[C@@H](N)C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 ZINC000159497937 197357695 /nfs/dbraw/zinc/35/76/95/197357695.db2.gz NJJCAFOIVJJLFC-CQSZACIVSA-N 0 3 323.462 2.152 20 70 DEIDHN COc1ccc([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)c(F)c1 ZINC000160328817 402340830 /nfs/dbraw/zinc/34/08/30/402340830.db2.gz BLKKNMCVRXUURX-CMPLNLGQSA-N 0 3 304.369 2.400 20 70 DEIDHN COc1ccc([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)cc1F ZINC000160384040 402343578 /nfs/dbraw/zinc/34/35/78/402343578.db2.gz QTUZZEAFHMKURY-GXFFZTMASA-N 0 3 304.369 2.400 20 70 DEIDHN C[C@H](Sc1ccccc1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160530932 402349879 /nfs/dbraw/zinc/34/98/79/402349879.db2.gz UAGBGGFNIGEAGM-GJZGRUSLSA-N 0 3 322.474 2.130 20 70 DEIDHN Cc1ccccc1[C@@H](C)CC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160582742 402352348 /nfs/dbraw/zinc/35/23/48/402352348.db2.gz ALBJFBFFAUMBTA-DLBZAZTESA-N 0 3 318.461 2.452 20 70 DEIDHN O=C(NCCCN1CCc2ccccc2C1)c1cccc(F)n1 ZINC000161472460 402388602 /nfs/dbraw/zinc/38/86/02/402388602.db2.gz MUDZJGCQBJTUHM-UHFFFAOYSA-N 0 3 313.376 2.399 20 70 DEIDHN CC(C)(C)C(=O)N1CCC(CN2CCOC[C@H]2C2CC2)CC1 ZINC000161273123 402380089 /nfs/dbraw/zinc/38/00/89/402380089.db2.gz LXEAXXYCNQSLNV-INIZCTEOSA-N 0 3 308.466 2.382 20 70 DEIDHN COCCCN(C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000159985531 402335041 /nfs/dbraw/zinc/33/50/41/402335041.db2.gz UIWUWCBNOKXPCP-RDJZCZTQSA-N 0 3 319.449 2.327 20 70 DEIDHN CCN1CCCN(C(=O)N[C@@H]2CCc3c2cccc3OC)CC1 ZINC000159987684 402335249 /nfs/dbraw/zinc/33/52/49/402335249.db2.gz PLGFTUKFNPJXMB-MRXNPFEDSA-N 0 3 317.433 2.420 20 70 DEIDHN COCC(C)(C)NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000160199408 402338299 /nfs/dbraw/zinc/33/82/99/402338299.db2.gz ZNGFEQAAIKDJJQ-ZBFHGGJFSA-N 0 3 319.449 2.374 20 70 DEIDHN CCC(CC)(CNCC(=O)N[C@H](C)c1ccccc1)C(=O)OC ZINC000159650489 521440729 /nfs/dbraw/zinc/44/07/29/521440729.db2.gz SCLSZNJIWPDYPE-CQSZACIVSA-N 0 3 320.433 2.433 20 70 DEIDHN COc1cc(C)cc(CNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000159998234 522239627 /nfs/dbraw/zinc/23/96/27/522239627.db2.gz FFYRFSPSARQTKT-HIFRSBDPSA-N 0 3 317.433 2.428 20 70 DEIDHN CSCC[C@@H](N)C(=O)NCc1ccccc1OCC1CC1 ZINC000160100543 525545216 /nfs/dbraw/zinc/54/52/16/525545216.db2.gz WAAWCVJXTNIZGP-CQSZACIVSA-N 0 3 308.447 2.172 20 70 DEIDHN COc1cccc(CCCN2CCC(N3CCNC3=O)CC2)c1 ZINC000159415977 525884307 /nfs/dbraw/zinc/88/43/07/525884307.db2.gz SMDNVKYIFFSMDV-UHFFFAOYSA-N 0 3 317.433 2.117 20 70 DEIDHN C[C@@]1(c2ccccc2)CN(C(=O)[C@@H](N)Cc2ccccc2)CCO1 ZINC000159646678 525899760 /nfs/dbraw/zinc/89/97/60/525899760.db2.gz OAYWAIQPXGCHLL-ICSRJNTNSA-N 0 3 324.424 2.331 20 70 DEIDHN Cc1cnn(-c2ccc(NC(=O)CNCC3CC3)cc2F)c1 ZINC000159777679 526249142 /nfs/dbraw/zinc/24/91/42/526249142.db2.gz ICMSTSZCJPRXKQ-UHFFFAOYSA-N 0 3 302.353 2.258 20 70 DEIDHN NCC(=O)NCCCCSc1ccccc1Br ZINC000159546726 527160857 /nfs/dbraw/zinc/16/08/57/527160857.db2.gz LIYZRWRTBKDHSR-UHFFFAOYSA-N 0 3 317.252 2.396 20 70 DEIDHN C[C@@H](CC(=O)N(CCN(C)C)C[C@H]1CCCO1)c1ccncc1 ZINC000159617443 539583007 /nfs/dbraw/zinc/58/30/07/539583007.db2.gz SEUMOIYMFONMNT-DOTOQJQBSA-N 0 3 319.449 2.144 20 70 DEIDHN C[C@@]1(c2ccccc2)CN(C(=O)[C@H](N)Cc2ccccc2)CCO1 ZINC000159646417 539583474 /nfs/dbraw/zinc/58/34/74/539583474.db2.gz OAYWAIQPXGCHLL-QUCCMNQESA-N 0 3 324.424 2.331 20 70 DEIDHN CCCn1nccc1CNC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000160089576 539584836 /nfs/dbraw/zinc/58/48/36/539584836.db2.gz IIONRLNQVMHOCP-LBPRGKRZSA-N 0 3 304.360 2.267 20 70 DEIDHN O=C(CN1CC[C@@H]2CCCC[C@@H]21)NCCOc1ccccc1 ZINC000159630483 355961846 /nfs/dbraw/zinc/96/18/46/355961846.db2.gz INQKPNIXZOGYSS-RDJZCZTQSA-N 0 3 302.418 2.446 20 70 DEIDHN O=C(CN1CC[C@@H]2CCCC[C@@H]21)NC(=O)NC1CCCCC1 ZINC000159650086 355962079 /nfs/dbraw/zinc/96/20/79/355962079.db2.gz DXRUOUXBIIAVLK-ZFWWWQNUSA-N 0 3 307.438 2.409 20 70 DEIDHN Cc1nc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)sc1C ZINC000160385145 197405216 /nfs/dbraw/zinc/40/52/16/197405216.db2.gz QGMVCCITFXNOCN-JRPNMDOOSA-N 0 3 309.435 2.231 20 70 DEIDHN O=C(NC[C@H](O)c1cc2ccccc2s1)[C@@H]1CCCCN1 ZINC000160274246 197397573 /nfs/dbraw/zinc/39/75/73/197397573.db2.gz IABKQBWJKPKVGA-STQMWFEESA-N 0 3 304.415 2.193 20 70 DEIDHN CN(C)CCN(C(=O)NCCc1cccnc1)C1CCCC1 ZINC000159923599 291661352 /nfs/dbraw/zinc/66/13/52/291661352.db2.gz CAKKIBHRFVPWFO-UHFFFAOYSA-N 0 3 304.438 2.140 20 70 DEIDHN CCN1CCCN(C(=O)NCCc2cc(F)cc(F)c2)CC1 ZINC000159786750 197364527 /nfs/dbraw/zinc/36/45/27/197364527.db2.gz CWGPBGMDMKTTPN-UHFFFAOYSA-N 0 3 311.376 2.245 20 70 DEIDHN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@]2(F)CCNC2)cc1 ZINC000159537681 197360362 /nfs/dbraw/zinc/36/03/62/197360362.db2.gz BJOZDOMPDAUYHM-BQFCYCMXSA-N 0 3 320.408 2.281 20 70 DEIDHN COc1cc2c(c(CN3C[C@H](C(N)=O)CC[C@H]3C)c1)O[C@H](C)C2 ZINC000159515742 197359304 /nfs/dbraw/zinc/35/93/04/197359304.db2.gz GTSYRTOTAZUTQS-JHJVBQTASA-N 0 3 318.417 2.104 20 70 DEIDHN CCn1ccnc1CNC[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC000217804706 402293825 /nfs/dbraw/zinc/29/38/25/402293825.db2.gz KKIPEKGVSDCENM-CYBMUJFWSA-N 0 3 310.442 2.496 20 70 DEIDHN C[C@@H]1CN(C(=O)[C@@H](N)C(C)(C)C)C[C@H](c2ccc(F)cc2)O1 ZINC000160509765 402348691 /nfs/dbraw/zinc/34/86/91/402348691.db2.gz VCEVQHHKAHFECY-KCPJHIHWSA-N 0 3 308.397 2.488 20 70 DEIDHN C[C@H](CC(=O)NC[C@@H](O)CN1CCCCC1)c1cccc(F)c1 ZINC000160514882 402348720 /nfs/dbraw/zinc/34/87/20/402348720.db2.gz ZZEMEFVSUJMEMB-RHSMWYFYSA-N 0 3 322.424 2.282 20 70 DEIDHN Cc1nc2n(n1)C[C@H](N[C@@H]1CCCc3nc(C)sc31)CC2 ZINC000160504696 402349016 /nfs/dbraw/zinc/34/90/16/402349016.db2.gz KIZXUJOPGICERG-DGCLKSJQSA-N 0 3 303.435 2.333 20 70 DEIDHN Cc1nc2ccccn2c1CN1CC[C@H](Cc2cnn(C)c2)C1 ZINC000160928454 402365756 /nfs/dbraw/zinc/36/57/56/402365756.db2.gz YRRWMQHEJVTXNW-OAHLLOKOSA-N 0 3 309.417 2.441 20 70 DEIDHN CC(C)[C@H](N)C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000160969008 402367855 /nfs/dbraw/zinc/36/78/55/402367855.db2.gz SIKNUJNDUWTSQV-NEPJUHHUSA-N 0 3 305.205 2.126 20 70 DEIDHN CC[C@](C)(O)CN1CCC(C(=O)OC)(c2ccccc2)CC1 ZINC000161162244 402375822 /nfs/dbraw/zinc/37/58/22/402375822.db2.gz NENWNAKOEJQKFC-KRWDZBQOSA-N 0 3 305.418 2.354 20 70 DEIDHN CC(C)N(CCN(C)C)C(=O)c1csc([C@H]2CCCO2)n1 ZINC000161185075 402376528 /nfs/dbraw/zinc/37/65/28/402376528.db2.gz LITNZKIWCXXGBU-CYBMUJFWSA-N 0 3 311.451 2.407 20 70 DEIDHN COc1ccc([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)cc1F ZINC000160384433 277925394 /nfs/dbraw/zinc/92/53/94/277925394.db2.gz QTUZZEAFHMKURY-MFKMUULPSA-N 0 3 304.369 2.400 20 70 DEIDHN CCN1CCCC[C@@H]1CNC(=O)NCCc1ccncc1C ZINC000161133917 521593970 /nfs/dbraw/zinc/59/39/70/521593970.db2.gz YHAMKVABZFPTRX-MRXNPFEDSA-N 0 3 304.438 2.106 20 70 DEIDHN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CNC[C@H]1CCCO1 ZINC000159444704 524889280 /nfs/dbraw/zinc/88/92/80/524889280.db2.gz DHKKSRIWINIDAH-XJKSGUPXSA-N 0 3 324.852 2.498 20 70 DEIDHN C[C@H](C(=O)NCCCOC1CCOCC1)[C@H](N)c1ccccc1 ZINC000160941205 526045907 /nfs/dbraw/zinc/04/59/07/526045907.db2.gz WDAQBEJDJAYFJX-YOEHRIQHSA-N 0 3 320.433 2.024 20 70 DEIDHN Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000160000082 539584851 /nfs/dbraw/zinc/58/48/51/539584851.db2.gz MAVRBKFYVHEHGF-UHIISALHSA-N 0 3 320.437 2.319 20 70 DEIDHN CN1CCC[C@@H](CNC(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC000159512040 355961115 /nfs/dbraw/zinc/96/11/15/355961115.db2.gz XNCDWKMNLDYUSH-LBPRGKRZSA-N 0 3 319.430 2.404 20 70 DEIDHN O=C(NCCCNc1ccccc1)N[C@@H]1CCN(CC2CC2)C1 ZINC000160731633 355966853 /nfs/dbraw/zinc/96/68/53/355966853.db2.gz GTMUTRHOFLYCFM-QGZVFWFLSA-N 0 3 316.449 2.272 20 70 DEIDHN CC[C@](C)(O)CNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000160081233 197384374 /nfs/dbraw/zinc/38/43/74/197384374.db2.gz JASRXPSERDVBTJ-ZVZYQTTQSA-N 0 3 319.449 2.110 20 70 DEIDHN C[C@H](CNC(=O)NCc1ncccc1F)N1CCC(C)CC1 ZINC000159785322 291658964 /nfs/dbraw/zinc/65/89/64/291658964.db2.gz NURQQZXPRLCJSC-CYBMUJFWSA-N 0 3 308.401 2.140 20 70 DEIDHN CCS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000159513336 197360089 /nfs/dbraw/zinc/36/00/89/197360089.db2.gz FLDJLUXUHNNYNZ-MAZHCROVSA-N 0 3 311.447 2.434 20 70 DEIDHN COc1ccc([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)c(F)c1 ZINC000160329206 402340918 /nfs/dbraw/zinc/34/09/18/402340918.db2.gz BLKKNMCVRXUURX-PWSUYJOCSA-N 0 3 304.369 2.400 20 70 DEIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(F)c(Cl)c1 ZINC000160335072 402341471 /nfs/dbraw/zinc/34/14/71/402341471.db2.gz QSWYPXXCWDNJBR-GFCCVEGCSA-N 0 3 314.788 2.056 20 70 DEIDHN COC(=O)C[C@H](NC(=O)[C@@H](C)N)c1ccc(C(C)(C)C)cc1 ZINC000161431483 402386991 /nfs/dbraw/zinc/38/69/91/402386991.db2.gz KDKCVQTWVCKQRO-RISCZKNCSA-N 0 3 306.406 2.052 20 70 DEIDHN O=C(CN[C@H](Cc1ccccc1)C1CC1)NCC(F)(F)F ZINC000160526985 402349143 /nfs/dbraw/zinc/34/91/43/402349143.db2.gz BHOOJFRFWHRUNC-CYBMUJFWSA-N 0 3 300.324 2.276 20 70 DEIDHN CC(C)N1CCCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160569030 402351211 /nfs/dbraw/zinc/35/12/11/402351211.db2.gz CQGKEORPCKCSSS-CVEARBPZSA-N 0 3 309.454 2.070 20 70 DEIDHN CC(C)(CC(=O)NCC1CCN(CCO)CC1)c1ccccc1 ZINC000160615721 402354041 /nfs/dbraw/zinc/35/40/41/402354041.db2.gz MNPGJRUNNBMNRJ-UHFFFAOYSA-N 0 3 318.461 2.175 20 70 DEIDHN CC[C@H](O)CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000160630700 402354588 /nfs/dbraw/zinc/35/45/88/402354588.db2.gz NWCSMYRXVYKTFM-DLBZAZTESA-N 0 3 319.449 2.284 20 70 DEIDHN CSc1ccc(C)c(C(=O)NCC2CCN(CCO)CC2)c1 ZINC000160651843 402355556 /nfs/dbraw/zinc/35/55/56/402355556.db2.gz JARFNIQNDXQNLG-UHFFFAOYSA-N 0 3 322.474 2.151 20 70 DEIDHN C[C@H](CC(=O)NCC1CCN(CCO)CC1)c1ccccc1 ZINC000160720246 402358674 /nfs/dbraw/zinc/35/86/74/402358674.db2.gz VTJNFKHJLXDGCJ-OAHLLOKOSA-N 0 3 304.434 2.001 20 70 DEIDHN C[C@@H]1C[C@H](NCC(=O)Nc2ccc(Cl)cc2)CN1C1CC1 ZINC000161111307 402373360 /nfs/dbraw/zinc/37/33/60/402373360.db2.gz QYIAIFVQBHWEIR-RISCZKNCSA-N 0 3 307.825 2.493 20 70 DEIDHN Cc1cnn(-c2ccc(NC(=O)[C@@H]3CCCCN3)cc2F)c1 ZINC000161232475 402378407 /nfs/dbraw/zinc/37/84/07/402378407.db2.gz UWUKXAXWUUEHDI-AWEZNQCLSA-N 0 3 302.353 2.400 20 70 DEIDHN Cc1cccc(N2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)c1 ZINC000160209812 402337977 /nfs/dbraw/zinc/33/79/77/402337977.db2.gz QKBFKOFKWYKAJE-QGZVFWFLSA-N 0 3 303.450 2.230 20 70 DEIDHN C[C@@H](CCO)NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000160202961 402338186 /nfs/dbraw/zinc/33/81/86/402338186.db2.gz RKSNXOQYXHWTIK-GJZGRUSLSA-N 0 3 319.449 2.282 20 70 DEIDHN CCO[C@@H]1C[C@H](N(C)C(=O)NC2CCN(C)CC2)C12CCC2 ZINC000160714214 286318660 /nfs/dbraw/zinc/31/86/60/286318660.db2.gz GHLTUMDJLGWORJ-LSDHHAIUSA-N 0 3 309.454 2.070 20 70 DEIDHN CN(C)Cc1cccc(CNC(=O)NOCc2cccnc2)c1 ZINC000161089202 521924421 /nfs/dbraw/zinc/92/44/21/521924421.db2.gz DGVPTOVHWRCLTG-UHFFFAOYSA-N 0 3 314.389 2.074 20 70 DEIDHN CSCC[C@H](N)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160385124 525578212 /nfs/dbraw/zinc/57/82/12/525578212.db2.gz SUMQOSOTYDSKIT-ZFWWWQNUSA-N 0 3 310.438 2.297 20 70 DEIDHN CSC[C@@H](CCO)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000160408888 525641841 /nfs/dbraw/zinc/64/18/41/525641841.db2.gz NGRNAZIDIXHDJV-GXTWGEPZSA-N 0 3 306.435 2.032 20 70 DEIDHN Cc1nc(CCNC(=O)N(CCN(C)C)C(C)C)sc1C ZINC000159712222 526816717 /nfs/dbraw/zinc/81/67/17/526816717.db2.gz JGLFTMNIQXYSRX-UHFFFAOYSA-N 0 3 312.483 2.284 20 70 DEIDHN CCN1CCCN(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)CC1 ZINC000159549312 186126620 /nfs/dbraw/zinc/12/66/20/186126620.db2.gz MDIQSCRTPAXPFT-ZDUSSCGKSA-N 0 3 315.421 2.361 20 70 DEIDHN O=C(N[C@H]1CCN(CC2CC2)C1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000160650094 355965038 /nfs/dbraw/zinc/96/50/38/355965038.db2.gz SODJZQUEMYJXFY-GJZGRUSLSA-N 0 3 317.437 2.131 20 70 DEIDHN CC[C@](C)(O)CNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000160080993 197384653 /nfs/dbraw/zinc/38/46/53/197384653.db2.gz JASRXPSERDVBTJ-LESCRADOSA-N 0 3 319.449 2.110 20 70 DEIDHN CCOCCC1(CNC(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000159612471 291656703 /nfs/dbraw/zinc/65/67/03/291656703.db2.gz SFVKWNBKQHUPJC-HNNXBMFYSA-N 0 3 311.470 2.367 20 70 DEIDHN Cc1ccc(C(=O)CCN2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000159815776 197366135 /nfs/dbraw/zinc/36/61/35/197366135.db2.gz XDUFAHMGTOMGDN-KRWDZBQOSA-N 0 3 316.445 2.222 20 70 DEIDHN CC(C)[N@H+]1C[C@H](NC(=O)Cc2ccc([O-])cc2Cl)[C@@H](C)C1 ZINC000159474494 197356742 /nfs/dbraw/zinc/35/67/42/197356742.db2.gz 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521607810 /nfs/dbraw/zinc/60/78/10/521607810.db2.gz NCHBRVIZUWCDCI-UHFFFAOYSA-N 0 3 305.422 2.070 20 70 DEIDHN CC[C@H](CNC(=O)[C@H](C)N)Cc1cccc(Br)c1 ZINC000161223516 522185924 /nfs/dbraw/zinc/18/59/24/522185924.db2.gz WNJXOOUEAIIRRS-QWRGUYRKSA-N 0 3 313.239 2.481 20 70 DEIDHN COc1cc(C)cc(CNC(=O)NC[C@@H](C)N(C)C2CC2)c1 ZINC000159861499 522239241 /nfs/dbraw/zinc/23/92/41/522239241.db2.gz ULLJNYICZCBUFO-CYBMUJFWSA-N 0 3 305.422 2.286 20 70 DEIDHN COCCN(C)CCCNC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000161486118 523584351 /nfs/dbraw/zinc/58/43/51/523584351.db2.gz HIHVCLOWWLQVBV-ZIAGYGMSSA-N 0 3 310.463 2.245 20 70 DEIDHN Cc1cc(NC(=O)CNC[C@@H]2CCCO2)ccc1OC(C)C ZINC000160903638 525146591 /nfs/dbraw/zinc/14/65/91/525146591.db2.gz ZGVPGCQRCUWHOH-HNNXBMFYSA-N 0 3 306.406 2.489 20 70 DEIDHN C[C@]1(c2ccccc2)CN(C(=O)[C@H](N)Cc2ccccc2)CCO1 ZINC000159646281 539583760 /nfs/dbraw/zinc/58/37/60/539583760.db2.gz OAYWAIQPXGCHLL-UYAOXDASSA-N 0 3 324.424 2.331 20 70 DEIDHN COCCC1(CNC(=O)N[C@@H]2CCN(CC3CC3)C2)CCCC1 ZINC000161108005 539589412 /nfs/dbraw/zinc/58/94/12/539589412.db2.gz CJRIFMGPTMPJCL-MRXNPFEDSA-N 0 3 323.481 2.367 20 70 DEIDHN CCN1CCCN(C(=O)N[C@@H](C)Cc2ccccc2F)CC1 ZINC000159732964 186137978 /nfs/dbraw/zinc/13/79/78/186137978.db2.gz XGWPGFKHDVBNTF-AWEZNQCLSA-N 0 3 307.413 2.494 20 70 DEIDHN O=C(CN1CC[C@@H]2CCCC[C@@H]21)NC(=O)NCc1ccccc1 ZINC000159649178 355961948 /nfs/dbraw/zinc/96/19/48/355961948.db2.gz PHFCDBSIDQPDTQ-HOTGVXAUSA-N 0 3 315.417 2.277 20 70 DEIDHN CSCC[C@@H](N)C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000161074934 197463243 /nfs/dbraw/zinc/46/32/43/197463243.db2.gz OZGMRJWPHPLSEY-GFCCVEGCSA-N 0 3 308.382 2.030 20 70 DEIDHN COCC(C)(C)NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000160199635 197392809 /nfs/dbraw/zinc/39/28/09/197392809.db2.gz ZNGFEQAAIKDJJQ-GDBMZVCRSA-N 0 3 319.449 2.374 20 70 DEIDHN C[C@H](NCC1(CO)CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000160117540 197386850 /nfs/dbraw/zinc/38/68/50/197386850.db2.gz VNQJZFVLSCGQNX-ZDUSSCGKSA-N 0 3 311.447 2.293 20 70 DEIDHN CCN1CCCN(C(=O)NCCc2ccc(F)cc2C)CC1 ZINC000159963414 197376552 /nfs/dbraw/zinc/37/65/52/197376552.db2.gz PGWGHGPMDWHIPF-UHFFFAOYSA-N 0 3 307.413 2.414 20 70 DEIDHN C[C@H](C(=O)N1CCc2ccccc2C1)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159773422 197363402 /nfs/dbraw/zinc/36/34/02/197363402.db2.gz LDJGIVLNYFJOSU-JLSDUUJJSA-N 0 3 316.445 2.053 20 70 DEIDHN Cn1cncc1CNC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218175224 402294782 /nfs/dbraw/zinc/29/47/82/402294782.db2.gz BJAQAJINRIWUMR-ZDUSSCGKSA-N 0 3 308.426 2.157 20 70 DEIDHN CC(C)c1ccsc1C(=O)NCC1CCN(CCO)CC1 ZINC000160668340 402356023 /nfs/dbraw/zinc/35/60/23/402356023.db2.gz DTDNWYQIWNBRRG-UHFFFAOYSA-N 0 3 310.463 2.306 20 70 DEIDHN CCN(CCCNCc1ccc(Cl)cc1F)S(C)(=O)=O ZINC000160785513 402361071 /nfs/dbraw/zinc/36/10/71/402361071.db2.gz PTVCDVRDIAGSNH-UHFFFAOYSA-N 0 3 322.833 2.240 20 70 DEIDHN CC(C)[C@H](N)C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000160968895 402367914 /nfs/dbraw/zinc/36/79/14/402367914.db2.gz SIKNUJNDUWTSQV-RYUDHWBXSA-N 0 3 305.205 2.126 20 70 DEIDHN CCC[C@H](N)C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000161040114 402370398 /nfs/dbraw/zinc/37/03/98/402370398.db2.gz DJLJGTKIALVKSU-HRCADAONSA-N 0 3 306.406 2.435 20 70 DEIDHN CCCn1c(C)nnc1CN1CCN(C2CCCCC2)CC1 ZINC000161401572 402386534 /nfs/dbraw/zinc/38/65/34/402386534.db2.gz FYPRTCGVBUDRKN-UHFFFAOYSA-N 0 3 305.470 2.447 20 70 DEIDHN Cc1cccc([C@@H]2CCCN2C[C@H](O)COC2CCOCC2)n1 ZINC000160251081 402339502 /nfs/dbraw/zinc/33/95/02/402339502.db2.gz OOHZNHQATAORTL-YJBOKZPZSA-N 0 3 320.433 2.083 20 70 DEIDHN CCN1CCC[C@H]1CNC(=O)c1csc([C@@H]2CCCO2)n1 ZINC000160330082 521657700 /nfs/dbraw/zinc/65/77/00/521657700.db2.gz HELAHSWYFNFKQZ-AAEUAGOBSA-N 0 3 309.435 2.209 20 70 DEIDHN CN(C)CCOc1ccccc1CNC(=O)NC1(C)CCC1 ZINC000160300615 521806154 /nfs/dbraw/zinc/80/61/54/521806154.db2.gz OIMUXPSWBMWPQR-UHFFFAOYSA-N 0 3 305.422 2.369 20 70 DEIDHN CSCC[C@H](N)C(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000160971010 525580771 /nfs/dbraw/zinc/58/07/71/525580771.db2.gz OGIIBEAWMQPSGI-LSDHHAIUSA-N 0 3 324.490 2.214 20 70 DEIDHN Cc1ccc(-c2n[nH]cc2CN2CCC(CC(N)=O)CC2)cc1 ZINC000159720737 525790309 /nfs/dbraw/zinc/79/03/09/525790309.db2.gz ZBGRXXSDEZUFLQ-UHFFFAOYSA-N 0 3 312.417 2.473 20 70 DEIDHN