smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(C)c2ncc(C(=O)N[C@H](C)CN3CCC[C@H](C)C3)cc12 ZINC000056240565 214366639 /nfs/dbraw/zinc/36/66/39/214366639.db2.gz VAIBNDWMNNXTFZ-QWHCGFSZSA-N 0 3 329.448 2.127 40 0 EEABHN C[C@H](N)C(=O)N[C@H]1CC[C@H](N(C)C(=O)OCc2ccccc2)CC1 ZINC000100177824 219093437 /nfs/dbraw/zinc/09/34/37/219093437.db2.gz ORFKSILSHDAZLH-CWRNSKLLSA-N 0 3 333.432 2.030 40 0 EEABHN O=C(CC1CCCC1)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019292298 202002622 /nfs/dbraw/zinc/00/26/22/202002622.db2.gz WWWKTBRVFPCMBK-HNNXBMFYSA-N 0 3 328.460 2.409 40 0 EEABHN Cc1nnc(-c2cccc(C(=O)N[C@@H]3CCN(CC4CC4)C3)c2)o1 ZINC000073476756 202370284 /nfs/dbraw/zinc/37/02/84/202370284.db2.gz PJLWFTJNJZFBLI-MRXNPFEDSA-N 0 3 326.400 2.259 40 0 EEABHN CC(C)[C@H](C(=O)NCCC(=O)Nc1ccncc1)N1CCCCC1 ZINC000078502503 202396714 /nfs/dbraw/zinc/39/67/14/202396714.db2.gz QBPNGEUOTXPBJP-QGZVFWFLSA-N 0 3 332.448 2.037 40 0 EEABHN CCOC[C@@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)CC ZINC000218483540 241327112 /nfs/dbraw/zinc/32/71/12/241327112.db2.gz NNSYYNHRRXZOLI-KKUMJFAQSA-N 0 3 331.865 2.222 40 0 EEABHN CC(C)CC[N@@H+]1CCc2c(nc(N3C[C@H](C)O[C@@H](C)C3)[n-]c2=O)C1 ZINC000072335562 203202681 /nfs/dbraw/zinc/20/26/81/203202681.db2.gz WWMSGKVGZSKMEB-KBPBESRZSA-N 0 3 334.464 2.200 40 0 EEABHN CC(C)CC[N@H+]1CCc2c(nc(N3C[C@H](C)O[C@@H](C)C3)[n-]c2=O)C1 ZINC000072335562 203202684 /nfs/dbraw/zinc/20/26/84/203202684.db2.gz WWMSGKVGZSKMEB-KBPBESRZSA-N 0 3 334.464 2.200 40 0 EEABHN CNc1cncc(C2CCN(C(=O)[C@]3(C)CCCCN3C)CC2)n1 ZINC000072367317 203207598 /nfs/dbraw/zinc/20/75/98/203207598.db2.gz LOACYTLQAISWJB-SFHVURJKSA-N 0 3 331.464 2.099 40 0 EEABHN Cc1nn(-c2ccccc2)c(C)c1CNC[C@@]1(O)CCCN(C)C1 ZINC000041123503 204007734 /nfs/dbraw/zinc/00/77/34/204007734.db2.gz MLZBUHCRXRZTOA-IBGZPJMESA-N 0 3 328.460 2.035 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CCC[C@@H]1CN(C(=O)OC(C)(C)C)C1CC1 ZINC000079427482 277902988 /nfs/dbraw/zinc/90/29/88/277902988.db2.gz KKOWIYQORKAFBE-CABCVRRESA-N 0 3 339.480 2.360 40 0 EEABHN C[C@H]1CN(CCCCNC(=O)c2ccc(Cl)cn2)C[C@H](C)O1 ZINC000085457307 462548971 /nfs/dbraw/zinc/54/89/71/462548971.db2.gz PFKXRGZPKJANNC-STQMWFEESA-N 0 3 325.840 2.354 40 0 EEABHN CCOC(=O)[C@@H]1CCCN(C[C@H](O)COc2ccccc2Cl)C1 ZINC000006327384 462682914 /nfs/dbraw/zinc/68/29/14/462682914.db2.gz QYSZQHCAOHQUST-KGLIPLIRSA-N 0 3 341.835 2.355 40 0 EEABHN CNS(=O)(=O)c1cccc([C@H](C)NC[C@H](O)c2cccc(C)c2)c1 ZINC000090520054 462795807 /nfs/dbraw/zinc/79/58/07/462795807.db2.gz UXPCYNNIVPHHDM-KSSFIOAISA-N 0 3 348.468 2.287 40 0 EEABHN COc1cccc(CN2CCC[C@@H](c3nc(C)cc(=O)[nH]3)C2)c1OC ZINC000019117984 463014237 /nfs/dbraw/zinc/01/42/37/463014237.db2.gz VIGNMFUVXADBRD-OAHLLOKOSA-N 0 3 343.427 2.475 40 0 EEABHN CNc1cc(CN(C)Cc2cnc(C)s2)nc([C@@H]2CCCN2)n1 ZINC000019760059 463020884 /nfs/dbraw/zinc/02/08/84/463020884.db2.gz TWRAEKWJYHNDJV-AWEZNQCLSA-N 0 3 332.477 2.340 40 0 EEABHN CN(C)Cc1ccc(N2CCN(c3nc4ccccc4[nH]3)CC2)nc1 ZINC000134957977 463101291 /nfs/dbraw/zinc/10/12/91/463101291.db2.gz XCAHKLQJIOUVOX-UHFFFAOYSA-N 0 3 336.443 2.346 40 0 EEABHN O=C(NCCc1ccncc1)[C@H]1C[C@@H]2CCN(CC3CCC3)C[C@H]2O1 ZINC000096066152 463164896 /nfs/dbraw/zinc/16/48/96/463164896.db2.gz XBBBLNITHLIZJD-IPMKNSEASA-N 0 3 343.471 2.020 40 0 EEABHN O=C(NC[C@]12COC[C@H]1CN(Cc1cccs1)C2)c1cccnc1 ZINC000096108505 463176615 /nfs/dbraw/zinc/17/66/15/463176615.db2.gz IGXVKOHQEBQJCP-QAPCUYQASA-N 0 3 343.452 2.022 40 0 EEABHN c1ccc(CN2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)nc1 ZINC000096108870 463177477 /nfs/dbraw/zinc/17/74/77/463177477.db2.gz HHESHKRIOIEKRZ-IEBWSBKVSA-N 0 3 325.412 2.142 40 0 EEABHN CO[C@@H]1CCN(Cc2ccccn2)[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096108601 463177770 /nfs/dbraw/zinc/17/77/70/463177770.db2.gz INYMASLHZMPLKP-IPMKNSEASA-N 0 3 327.428 2.396 40 0 EEABHN Cc1nc(CN2CC[C@]3(CCN(Cc4ccncc4)C3)C2=O)cs1 ZINC000096159440 463190822 /nfs/dbraw/zinc/19/08/22/463190822.db2.gz ZQVWHQBXKAYEIR-SFHVURJKSA-N 0 3 342.468 2.471 40 0 EEABHN Cc1noc(C[C@@H]2CO[C@@H]3CN(CCOCc4ccccc4)C[C@H]23)n1 ZINC000096215654 463213884 /nfs/dbraw/zinc/21/38/84/463213884.db2.gz FEOKBTXESPOTDZ-KZNAEPCWSA-N 0 3 343.427 2.084 40 0 EEABHN COCCN1CC[C@@H](NC(=O)N[C@H](C)c2ccc(Cl)cc2)C1 ZINC000096413259 463246049 /nfs/dbraw/zinc/24/60/49/463246049.db2.gz JQUPKMHMWFQWSW-IUODEOHRSA-N 0 3 325.840 2.421 40 0 EEABHN CC[C@@H](NC(=O)C(C)S(C)(=O)=O)c1nc(C(F)(F)F)cs1 ZINC000096443887 463269794 /nfs/dbraw/zinc/26/97/94/463269794.db2.gz DVBJXHJNHRVPEC-RNFRBKRXSA-N 0 3 344.380 2.162 40 0 EEABHN CC[C@H](NC(=O)C(C)S(C)(=O)=O)c1nc(C(F)(F)F)cs1 ZINC000096443888 463269763 /nfs/dbraw/zinc/26/97/63/463269763.db2.gz DVBJXHJNHRVPEC-BQBZGAKWSA-N 0 3 344.380 2.162 40 0 EEABHN CC(C)(C)OC[C@H](O)CN1CCC(NC(=O)C2CCCCC2)CC1 ZINC000096483276 463282923 /nfs/dbraw/zinc/28/29/23/463282923.db2.gz ZONGKXAYYAICTF-QGZVFWFLSA-N 0 3 340.508 2.323 40 0 EEABHN CN(Cc1ccc(OCCOCCO)cc1)C[C@H](O)c1ccccc1 ZINC000257231826 463758839 /nfs/dbraw/zinc/75/88/39/463758839.db2.gz GIIFSGCUFJCWFT-FQEVSTJZSA-N 0 3 345.439 2.240 40 0 EEABHN CCc1cc(C(=O)N2CCO[C@@H](c3cc(NC)cc(C)n3)C2)no1 ZINC000257302484 463768946 /nfs/dbraw/zinc/76/89/46/463768946.db2.gz SDCFFPWCPXSPIV-MRXNPFEDSA-N 0 3 330.388 2.196 40 0 EEABHN CCOC[C@@]1(CN)[C@H](S(=O)(=O)CC)[C@H]1c1cccc(Cl)c1 ZINC000242574977 464457593 /nfs/dbraw/zinc/45/75/93/464457593.db2.gz NNSYYNHRRXZOLI-RBSFLKMASA-N 0 3 331.865 2.222 40 0 EEABHN Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(CN)CO)cc1 ZINC000242648596 464458667 /nfs/dbraw/zinc/45/86/67/464458667.db2.gz RCZVEFRQLJYONB-CEXWTWQISA-N 0 3 345.464 2.181 40 0 EEABHN CC(C)N(C(=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000252517624 464979472 /nfs/dbraw/zinc/97/94/72/464979472.db2.gz MZAMIVYIKBXJMF-QAQDUYKDSA-N 0 3 347.459 2.420 40 0 EEABHN COC(=O)C[C@@H]1CCCN1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000253416353 465004257 /nfs/dbraw/zinc/00/42/57/465004257.db2.gz HPGJXZPFXJUPHU-RBUKOAKNSA-N 0 3 346.471 2.305 40 0 EEABHN Cc1cc(F)ccc1C(=O)N1CC2(C1)C[C@@H](CO)CN2CC1CC1 ZINC000585093927 468963083 /nfs/dbraw/zinc/96/30/83/468963083.db2.gz PYCJXGCXAFJCKR-OAHLLOKOSA-N 0 3 332.419 2.053 40 0 EEABHN C[C@@]1(O)CCN(CC2CC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000604383068 485649040 /nfs/dbraw/zinc/64/90/40/485649040.db2.gz CZNNTSRAVGNGHE-CMKODMSKSA-N 0 3 328.456 2.489 40 0 biogenic,in-vitro EEABHN CN(C)c1ncc(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cn1 ZINC000189746278 529812225 /nfs/dbraw/zinc/81/22/25/529812225.db2.gz NGKYUUZYIQXHKF-CVEARBPZSA-N 0 3 340.431 2.110 40 0 EEABHN c1ccc(CCN2CCc3nnc([C@@H]4CCCCN4)n3CC2)cc1 ZINC000072372838 203209824 /nfs/dbraw/zinc/20/98/24/203209824.db2.gz YOYLBXCPIOLNJU-KRWDZBQOSA-N 0 3 325.460 2.194 40 0 EEABHN O=C(CN1C[C@@H]2[C@H](Oc3cccnc3)CC[C@@H]2C1)N1CCCCC1 ZINC000257251074 244268770 /nfs/dbraw/zinc/26/87/70/244268770.db2.gz JPHHOSUORDPTKJ-BPQIPLTHSA-N 0 3 329.444 2.183 40 0 EEABHN NCC(=O)N(C1CC1)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079393020 303365501 /nfs/dbraw/zinc/36/55/01/303365501.db2.gz XMPGGQZONZABJZ-DLBZAZTESA-N 0 3 345.443 2.174 40 0 EEABHN CCn1nncc1C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000332754603 312052714 /nfs/dbraw/zinc/05/27/14/312052714.db2.gz KWOLJEDHOYYRNU-IUODEOHRSA-N 0 3 333.461 2.172 40 0 EEABHN C[C@@H]1CN(C)CCN1CC1CCN(C(=O)c2ccccc2F)CC1 ZINC000085468107 462548609 /nfs/dbraw/zinc/54/86/09/462548609.db2.gz SIJZWSORQUKCQP-OAHLLOKOSA-N 0 3 333.451 2.314 40 0 EEABHN COc1ccc(CN2CCC[C@H](c3nc(C)cc(=O)[nH]3)C2)cc1OC ZINC000019117941 463014513 /nfs/dbraw/zinc/01/45/13/463014513.db2.gz KWWAOHFGLUGGMZ-HNNXBMFYSA-N 0 3 343.427 2.475 40 0 EEABHN Cc1ccc([C@H](CNC(=O)c2cnc(N(C)C)nc2C)N(C)C)cc1 ZINC000019136533 463014574 /nfs/dbraw/zinc/01/45/74/463014574.db2.gz LSQNQTDLSQCCBL-KRWDZBQOSA-N 0 3 341.459 2.192 40 0 EEABHN N=C1Nc2nc(=O)c3ccccc3n2[C@@H](c2c[nH]c3ccccc32)N1 ZINC000022241454 463047333 /nfs/dbraw/zinc/04/73/33/463047333.db2.gz QFSYSJCJHSSVML-HNNXBMFYSA-N 0 3 330.351 2.165 40 0 EEABHN O=C(c1ccccn1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096053892 463157055 /nfs/dbraw/zinc/15/70/55/463157055.db2.gz BTHQAXXPGVJDPI-HZPDHXFCSA-N 0 3 325.387 2.425 40 0 EEABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21)NC1CC1 ZINC000096057281 463158851 /nfs/dbraw/zinc/15/88/51/463158851.db2.gz OKQJNFKWQRHNOG-RKVPGOIHSA-N 0 3 332.419 2.189 40 0 EEABHN c1cc(-c2nnn3c2CO[C@@H](CNCc2ccccn2)C3)cs1 ZINC000096061053 463161041 /nfs/dbraw/zinc/16/10/41/463161041.db2.gz RPWSPWGDAJOHBF-AWEZNQCLSA-N 0 3 327.413 2.090 40 0 EEABHN Cn1cncc1CN1CCC2(C[C@@H](OCc3cccnc3)CO2)CC1 ZINC000096073161 463167217 /nfs/dbraw/zinc/16/72/17/463167217.db2.gz JHBNSTQIEUPLGG-GOSISDBHSA-N 0 3 342.443 2.155 40 0 EEABHN Cc1noc(C)c1CN1CC[C@H]2CN(C(=O)c3ccoc3)C[C@H]2C1 ZINC000096081449 463171114 /nfs/dbraw/zinc/17/11/14/463171114.db2.gz AJAUWUNNHVBCCF-GOEBONIOSA-N 0 3 329.400 2.479 40 0 EEABHN CCN(C(=O)[C@H](C)N)[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079393140 463210715 /nfs/dbraw/zinc/21/07/15/463210715.db2.gz AFDOFWRFUWJJQK-XIRDDKMYSA-N 0 3 347.459 2.420 40 0 EEABHN CC(C)N(C(=O)CN)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079392973 463210732 /nfs/dbraw/zinc/21/07/32/463210732.db2.gz IEUVSSVHHUKAQW-DLBZAZTESA-N 0 3 347.459 2.420 40 0 EEABHN CCN(C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)[C@H](C)N ZINC000079393131 463210948 /nfs/dbraw/zinc/21/09/48/463210948.db2.gz YMTMCADFYZEUTE-RDJZCZTQSA-N 0 3 347.459 2.231 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CCCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000079410092 463211542 /nfs/dbraw/zinc/21/15/42/463211542.db2.gz MBHICXXBXWATDD-KGLIPLIRSA-N 0 3 327.469 2.218 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CC[C@H](CN(C)C(=O)OCc2ccccc2)C1 ZINC000079413183 463211662 /nfs/dbraw/zinc/21/16/62/463211662.db2.gz MTAGJAIBXCJFJF-SJORKVTESA-N 0 3 347.459 2.087 40 0 EEABHN CC(C)N1CCc2c(c(COc3cncnc3)nn2CC2CC2)C1 ZINC000096259838 463230484 /nfs/dbraw/zinc/23/04/84/463230484.db2.gz UYDMVDBMLGJKOI-UHFFFAOYSA-N 0 3 327.432 2.429 40 0 EEABHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1cccc2cccnc21 ZINC000096410740 463244188 /nfs/dbraw/zinc/24/41/88/463244188.db2.gz GROCHNNRLUSVLE-CYBMUJFWSA-N 0 3 328.416 2.020 40 0 EEABHN COc1ccc([C@@H]2[C@H](CNC(=O)c3nccn3C)CCCN2C)cc1 ZINC000096421365 463253187 /nfs/dbraw/zinc/25/31/87/463253187.db2.gz IZUQZAQNPKCGEA-DOTOQJQBSA-N 0 3 342.443 2.242 40 0 EEABHN O=c1cc(CN2CCC[C@H]2C[C@H](O)c2ccccc2)[nH]c2ccnn21 ZINC000096443588 463268958 /nfs/dbraw/zinc/26/89/58/463268958.db2.gz VIGFHLLJYSMZJB-IRXDYDNUSA-N 0 3 338.411 2.111 40 0 EEABHN C[C@@H](N)C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000163993824 463611974 /nfs/dbraw/zinc/61/19/74/463611974.db2.gz RVDAVLLFCILEJT-GFCCVEGCSA-N 0 3 329.366 2.087 40 0 EEABHN Cc1cc(N)cc([C@@H]2CN(C(=O)COc3ccccc3F)CCO2)n1 ZINC000257324083 463777472 /nfs/dbraw/zinc/77/74/72/463777472.db2.gz WNBXGLPTKKXCHD-KRWDZBQOSA-N 0 3 345.374 2.090 40 0 EEABHN CNC(=O)c1c[nH]nc1[C@@H]1CCN(Cc2cccc(C)c2OC)C1 ZINC000257323834 463778399 /nfs/dbraw/zinc/77/83/99/463778399.db2.gz WMALAJAPYGBCJV-CYBMUJFWSA-N 0 3 328.416 2.076 40 0 EEABHN O=C(NCc1nccs1)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000194058450 463783092 /nfs/dbraw/zinc/78/30/92/463783092.db2.gz CKYYMNNBLSPBIU-HNNXBMFYSA-N 0 3 330.457 2.464 40 0 EEABHN COC[C@H](C)CN1CCCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000195572984 464078358 /nfs/dbraw/zinc/07/83/58/464078358.db2.gz BVGAMWXARJWHBD-CYBMUJFWSA-N 0 3 326.387 2.395 40 0 EEABHN C[C@H](CCOc1ccccc1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000245339229 464471082 /nfs/dbraw/zinc/47/10/82/464471082.db2.gz RIZOEPADMNXWFF-RYRKJORJSA-N 0 3 332.444 2.071 40 0 EEABHN CCO[C@H]1C[C@H](NCc2ccc(N3CCN(C)CC3)nc2)C12CCC2 ZINC000181456169 464493113 /nfs/dbraw/zinc/49/31/13/464493113.db2.gz INUWZQHDUYOXLF-ROUUACIJSA-N 0 3 344.503 2.271 40 0 EEABHN COCc1nc2n(n1)C[C@H](N[C@H]1CCCOc3cc(F)ccc31)CC2 ZINC000182151374 464584951 /nfs/dbraw/zinc/58/49/51/464584951.db2.gz JIMJYIDSMLTCPB-HIFRSBDPSA-N 0 3 346.406 2.382 40 0 EEABHN O=C(NCC[C@@H]1Cn2nccc2CN(C2CCC2)C1)c1cccnc1 ZINC000247461909 464681640 /nfs/dbraw/zinc/68/16/40/464681640.db2.gz BEOYFNKFGCMAPE-HNNXBMFYSA-N 0 3 339.443 2.083 40 0 EEABHN COc1ccc(Cl)c(C(=O)N2Cc3ccnn3[C@@H](CN(C)C)C2)c1 ZINC000248144780 464734714 /nfs/dbraw/zinc/73/47/14/464734714.db2.gz VISJYMDMVFIRHB-ZDUSSCGKSA-N 0 3 348.834 2.304 40 0 EEABHN CC(C)[C@@H](CO)N(Cc1ccccc1)C[C@H]1CCCS(=O)(=O)C1 ZINC000252497057 464969647 /nfs/dbraw/zinc/96/96/47/464969647.db2.gz PYATZTSVNIOCGX-QZTJIDSGSA-N 0 3 339.501 2.330 40 0 EEABHN CCC1(CC)CN(CCCN2CCN(C(C)C)CC2)CC[S@]1=O ZINC000192801399 465000757 /nfs/dbraw/zinc/00/07/57/465000757.db2.gz CPVFEBOFKSPEDZ-HSZRJFAPSA-N 0 3 343.581 2.026 40 0 EEABHN COC(=O)C[C@H]1CCCN1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000253416351 465004479 /nfs/dbraw/zinc/00/44/79/465004479.db2.gz HPGJXZPFXJUPHU-MOPGFXCFSA-N 0 3 346.471 2.305 40 0 EEABHN c1nnc([C@@H]([NH2+]CC2CCC3(CC2)OCCO3)c2ccccc2)[n-]1 ZINC000253427023 465011307 /nfs/dbraw/zinc/01/13/07/465011307.db2.gz VFKCAIWVWLDCHI-INIZCTEOSA-N 0 3 328.416 2.417 40 0 EEABHN c1nnc([C@@H](NCC2CCC3(CC2)OCCO3)c2ccccc2)[nH]1 ZINC000253427023 465011313 /nfs/dbraw/zinc/01/13/13/465011313.db2.gz VFKCAIWVWLDCHI-INIZCTEOSA-N 0 3 328.416 2.417 40 0 EEABHN CN(C)Cc1cccc(-c2cccnc2C(=O)N2CCOCC2)c1 ZINC000257330995 536022331 /nfs/dbraw/zinc/02/23/31/536022331.db2.gz XQXWNEUESKMLKT-UHFFFAOYSA-N 0 3 325.412 2.283 40 0 EEABHN COc1cc(C)c(S(=O)(=O)NCCCN2CCCCC2)c(C)c1 ZINC000223787631 536610295 /nfs/dbraw/zinc/61/02/95/536610295.db2.gz HRPOTSAYMIXMAD-UHFFFAOYSA-N 0 3 340.489 2.466 40 0 EEABHN O=C(NC[C@@]1(O)CN2CCC1CC2)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000585123710 539980598 /nfs/dbraw/zinc/98/05/98/539980598.db2.gz DECUEPQMPKDYJL-MBOZVWFJSA-N 0 3 328.456 2.143 40 0 EEABHN Cc1cc(C)n(-c2ccc(C(=O)N(C)CCN3CCCCC3)cn2)n1 ZINC000019656321 202014952 /nfs/dbraw/zinc/01/49/52/202014952.db2.gz ZZDICWLRYLCPQW-UHFFFAOYSA-N 0 3 341.459 2.442 40 0 EEABHN CN1CCC(NC2(Cc3cc(-c4ccccc4)on3)COC2)CC1 ZINC000072321928 202363866 /nfs/dbraw/zinc/36/38/66/202363866.db2.gz MXYDCGIWTXZNMS-UHFFFAOYSA-N 0 3 327.428 2.337 40 0 biogenic,in-vitro EEABHN CCOC[C@@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)CC ZINC000218483384 241327338 /nfs/dbraw/zinc/32/73/38/241327338.db2.gz NNSYYNHRRXZOLI-ILXRZTDVSA-N 0 3 331.865 2.222 40 0 EEABHN Cc1cnc(NCC[C@@H]2CCOC23CN(CC2CCOCC2)C3)nc1 ZINC000253600041 244030796 /nfs/dbraw/zinc/03/07/96/244030796.db2.gz AYKXSMSGUQTQRT-QGZVFWFLSA-N 0 3 346.475 2.105 40 0 EEABHN O=C([C@@H]1CCCN(CCSc2ccccc2)C1)N1CCOCC1 ZINC000096410308 218764228 /nfs/dbraw/zinc/76/42/28/218764228.db2.gz ZXXWVPKQTDPKDH-MRXNPFEDSA-N 0 3 334.485 2.350 40 0 EEABHN CN(C)CCOC[C@@]12CCCO[C@H]1CCN(C(=O)C1=CCCC1)C2 ZINC000096039580 289171026 /nfs/dbraw/zinc/17/10/26/289171026.db2.gz KDXZELRJWQGADC-HKUYNNGSSA-N 0 3 336.476 2.073 40 0 EEABHN Cc1noc(C)c1CC(=O)N1CCCSC[C@@H]1CN1CCCC1 ZINC000085473213 462550580 /nfs/dbraw/zinc/55/05/80/462550580.db2.gz MEAVEECHUIAONP-HNNXBMFYSA-N 0 3 337.489 2.264 40 0 EEABHN COc1cccc2cc(C(=O)OCCN3CCCCC3)c(=O)oc21 ZINC000002709808 462599251 /nfs/dbraw/zinc/59/92/51/462599251.db2.gz XNNDFYYHDWPBNK-UHFFFAOYSA-N 0 3 331.368 2.444 40 0 EEABHN Cc1ccc([C@@]2(O)CCC[C@H]3CN(Cc4cnc(N)nc4)C[C@@H]32)cc1 ZINC000012186314 462846653 /nfs/dbraw/zinc/84/66/53/462846653.db2.gz COVSVXKTEGLWQD-QRFRQXIXSA-N 0 3 338.455 2.487 40 0 EEABHN CN1CCC[C@@H](NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000012195150 462847634 /nfs/dbraw/zinc/84/76/34/462847634.db2.gz BFVSFTWBCZTGKR-GOSISDBHSA-N 0 3 333.451 2.248 40 0 EEABHN C[C@](CO)(NCCS(=O)(=O)c1ccccc1)C1CCCCC1 ZINC000077656441 463018221 /nfs/dbraw/zinc/01/82/21/463018221.db2.gz IVCSTNNZEKTLKP-QGZVFWFLSA-N 0 3 325.474 2.381 40 0 EEABHN CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(CC3CCC3)C[C@@H]2O1 ZINC000096043264 463147657 /nfs/dbraw/zinc/14/76/57/463147657.db2.gz ASNLNUOKXFPZGW-UHOSZYNNSA-N 0 3 343.471 2.320 40 0 EEABHN Cc1ccc(N[C@@H]2CN(Cc3ccoc3)C[C@@H]3CCCO[C@H]23)nn1 ZINC000096065196 463162729 /nfs/dbraw/zinc/16/27/29/463162729.db2.gz IYNXHMOGKIZBFX-JZXOWHBKSA-N 0 3 328.416 2.470 40 0 EEABHN Cc1cccc(CN2C[C@@H]3CN(Cc4ccoc4)CCO[C@@H]3C2)n1 ZINC000096108189 463175694 /nfs/dbraw/zinc/17/56/94/463175694.db2.gz ZDLKCTLHXBMLDB-PKOBYXMFSA-N 0 3 327.428 2.316 40 0 EEABHN Cn1cccc1CN1CC[C@@]2(C1)CCCN(c1ncc(F)cn1)C2 ZINC000096158295 463189128 /nfs/dbraw/zinc/18/91/28/463189128.db2.gz BBFBGHGMMMZVEB-GOSISDBHSA-N 0 3 329.423 2.447 40 0 EEABHN O=C([C@H]1CCCO1)N1CCC2(CCCN(Cc3ccccn3)C2)CC1 ZINC000096158510 463189620 /nfs/dbraw/zinc/18/96/20/463189620.db2.gz OPXFIHTVXWCMFG-GOSISDBHSA-N 0 3 343.471 2.465 40 0 EEABHN O=c1cc(CN2CCCC2)nc2n1CCCN(Cc1cccs1)C2 ZINC000096197564 463203749 /nfs/dbraw/zinc/20/37/49/463203749.db2.gz YZMQAIIIHSGSLI-UHFFFAOYSA-N 0 3 344.484 2.307 40 0 EEABHN c1coc(CN2CC[C@@]3(C2)COCCN(Cc2cccnc2)C3)c1 ZINC000096202131 463207072 /nfs/dbraw/zinc/20/70/72/463207072.db2.gz XDGZLEQTTYUZCF-IBGZPJMESA-N 0 3 327.428 2.399 40 0 EEABHN c1ncn2c1CN(CC1CCOCC1)C[C@@H](COc1cccnc1)C2 ZINC000096209187 463211735 /nfs/dbraw/zinc/21/17/35/463211735.db2.gz GNIODPXFKWQIRB-QGZVFWFLSA-N 0 3 342.443 2.216 40 0 EEABHN Cn1cc(CN2CCC3(CC[C@@H](C(=O)NCC4CC4)C3)CC2)cn1 ZINC000096227854 463222024 /nfs/dbraw/zinc/22/20/24/463222024.db2.gz KZVFXWLDBXFDNA-QGZVFWFLSA-N 0 3 330.476 2.329 40 0 EEABHN COc1ccc(CN2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)cc1 ZINC000096239302 463224588 /nfs/dbraw/zinc/22/45/88/463224588.db2.gz KFPHVMQQKKBGAR-LJQANCHMSA-N 0 3 340.427 2.058 40 0 EEABHN COCCN1CCC(NC(=O)c2ccc(Cl)cc2OC)CC1 ZINC000096402383 463238474 /nfs/dbraw/zinc/23/84/74/463238474.db2.gz CZBRLELWHLDBAZ-UHFFFAOYSA-N 0 3 326.824 2.189 40 0 EEABHN CCc1ocnc1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000096449863 463272119 /nfs/dbraw/zinc/27/21/19/463272119.db2.gz FLDQEKRBCAZYBA-UHFFFAOYSA-N 0 3 343.427 2.124 40 0 EEABHN C[C@@H]1C[C@H](NS(=O)(=O)Cc2ccon2)CCN1Cc1ccccc1 ZINC000080294472 463306104 /nfs/dbraw/zinc/30/61/04/463306104.db2.gz BFAMPKBVQYNBEJ-GDBMZVCRSA-N 0 3 349.456 2.147 40 0 EEABHN CC(C)CCN1CC[C@@H]2NS(=O)(=O)c3ccccc3O[C@H]2CC1 ZINC000107184203 463559890 /nfs/dbraw/zinc/55/98/90/463559890.db2.gz DBMTZUGSJIBKAJ-GJZGRUSLSA-N 0 3 338.473 2.236 40 0 EEABHN COc1ccc2ccccc2c1CN1CC[C@H]2OCC(=O)N(C)[C@H]2C1 ZINC000257313318 463773317 /nfs/dbraw/zinc/77/33/17/463773317.db2.gz URWHYNHPSMBBAF-PKOBYXMFSA-N 0 3 340.423 2.280 40 0 EEABHN C[C@H](O)[C@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000245289773 464470268 /nfs/dbraw/zinc/47/02/68/464470268.db2.gz DZQBIFHECHWATN-UHOSZYNNSA-N 0 3 345.487 2.311 40 0 EEABHN Cc1ccc(CN2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)s1 ZINC000248115804 464731227 /nfs/dbraw/zinc/73/12/27/464731227.db2.gz SEDDSAXIAKRRDD-LSDHHAIUSA-N 0 3 330.457 2.184 40 0 EEABHN c1ccc(CN2C[C@@H]3COCCN3C3(CN(C4CCCC4)C3)C2)cc1 ZINC000604381989 469475152 /nfs/dbraw/zinc/47/51/52/469475152.db2.gz XXEPLJBIZUCYAZ-HXUWFJFHSA-N 0 3 341.499 2.200 40 0 biogenic,in-vitro EEABHN Cc1cc(N)cc([C@@H]2CN(S(=O)(=O)C3CCCCC3)CCO2)n1 ZINC000257267695 500960695 /nfs/dbraw/zinc/96/06/95/500960695.db2.gz MILHSSVLKKKERF-INIZCTEOSA-N 0 3 339.461 2.008 40 0 EEABHN CN1CCC(CCO)(NC(=O)c2ccnc3cc(Cl)ccc32)CC1 ZINC000935269860 679507647 /nfs/dbraw/zinc/50/76/47/679507647.db2.gz JBOSQIKSMIUEMI-UHFFFAOYSA-N 0 3 347.846 2.465 40 0 EEABHN CN(C)c1noc(C2CCN(Cc3ccc4c[nH]nc4c3)CC2)n1 ZINC000191907777 529817674 /nfs/dbraw/zinc/81/76/74/529817674.db2.gz NHHNQJBCJTWAHI-UHFFFAOYSA-N 0 3 326.404 2.392 40 0 EEABHN Cc1noc(C)c1C(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019580049 202013692 /nfs/dbraw/zinc/01/36/92/202013692.db2.gz ICUZXIVZUWHNHH-HNNXBMFYSA-N 0 3 341.415 2.047 40 0 EEABHN C[C@H](NC(=O)CCN1CCN(c2ccccc2)CC1)c1ccncc1 ZINC000072812012 202368644 /nfs/dbraw/zinc/36/86/44/202368644.db2.gz QLXDVTHDAMKQHR-KRWDZBQOSA-N 0 3 338.455 2.471 40 0 EEABHN CC(C)N(CC1CCN(C(=O)[C@H](C)N)CC1)C(=O)OC(C)(C)C ZINC000079409825 202433531 /nfs/dbraw/zinc/43/35/31/202433531.db2.gz IHVYOXKOXZEYLQ-ZDUSSCGKSA-N 0 3 327.469 2.218 40 0 EEABHN CCc1ncc(NC(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)cn1 ZINC000252493117 243803998 /nfs/dbraw/zinc/80/39/98/243803998.db2.gz MZMWUQPIDILBQY-MRXNPFEDSA-N 0 3 343.431 2.472 40 0 EEABHN c1cc2n(c1)C[C@H](OCc1ccccn1)CN(C1CCOCC1)C2 ZINC000253588736 244024586 /nfs/dbraw/zinc/02/45/86/244024586.db2.gz QFAUWUAPRSWLFP-IBGZPJMESA-N 0 3 327.428 2.463 40 0 EEABHN CNCC(=O)N1CCC[C@@H]1c1cncc(Oc2ccccc2F)n1 ZINC000072363314 203206401 /nfs/dbraw/zinc/20/64/01/203206401.db2.gz QGYOOGMKPBRDBI-CQSZACIVSA-N 0 3 330.363 2.291 40 0 EEABHN Cc1ccc(-n2cccc2)c(C(=O)NCCCN2CCN(C)CC2)c1 ZINC000095350928 218285040 /nfs/dbraw/zinc/28/50/40/218285040.db2.gz CZDKQMLOYPZMJH-UHFFFAOYSA-N 0 3 340.471 2.153 40 0 EEABHN CC(C(=O)N(C)C)S(=O)(=O)[C@H](C)c1cccc(Br)c1 ZINC000291923504 275354153 /nfs/dbraw/zinc/35/41/53/275354153.db2.gz NNNZBTPSHLBMEO-NXEZZACHSA-N 0 3 348.262 2.402 40 0 EEABHN CN(C)C(=O)COc1ccccc1CN(C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000252487253 464964719 /nfs/dbraw/zinc/96/47/19/464964719.db2.gz UZLXASZJAACPQJ-ATZDWAIDSA-N 0 3 346.471 2.399 40 0 EEABHN Cc1noc(C)c1CC(=O)N1CCCSC[C@H]1CN1CCCC1 ZINC000085473215 462550386 /nfs/dbraw/zinc/55/03/86/462550386.db2.gz MEAVEECHUIAONP-OAHLLOKOSA-N 0 3 337.489 2.264 40 0 EEABHN CCN1CCC[C@@H]1CNC(=O)Nc1c[nH]c2ccc(C)cc2c1=O ZINC000004907888 462641668 /nfs/dbraw/zinc/64/16/68/462641668.db2.gz RBJZFFBBYOWCKQ-CYBMUJFWSA-N 0 3 328.416 2.442 40 0 EEABHN COc1ccccc1N1CCN(C(=O)CC2CCN(C)CC2)CC1 ZINC000074920956 462653620 /nfs/dbraw/zinc/65/36/20/462653620.db2.gz PCDFNYCIYPQPPT-UHFFFAOYSA-N 0 3 331.460 2.076 40 0 EEABHN Cc1ccsc1CN1C[C@H]2OCC[C@H]2[C@@H](C(=O)NCC2CC2)C1 ZINC000096041126 463145630 /nfs/dbraw/zinc/14/56/30/463145630.db2.gz ZJLSAOWWHXMJKB-HRCADAONSA-N 0 3 334.485 2.420 40 0 EEABHN Cc1nc(CN2C[C@]3(CCN(Cc4ccccn4)C3)CC2=O)cs1 ZINC000096050915 463155103 /nfs/dbraw/zinc/15/51/03/463155103.db2.gz WCTUPYQNORVCLD-GOSISDBHSA-N 0 3 342.468 2.471 40 0 EEABHN Cc1ccc(CN2CC[C@H]3OCC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)o1 ZINC000096058292 463159398 /nfs/dbraw/zinc/15/93/98/463159398.db2.gz FLPJYLCEQJLHOQ-FGTMMUONSA-N 0 3 348.443 2.369 40 0 EEABHN Cc1occc1C(=O)N1CCO[C@H]2[C@H](OCCN3CCCC3)CC[C@@H]21 ZINC000096057939 463159589 /nfs/dbraw/zinc/15/95/89/463159589.db2.gz HCKBKVUZUABNAD-RCCFBDPRSA-N 0 3 348.443 2.072 40 0 EEABHN Cc1noc(C)c1CN1CCCC12CCN(C(=O)[C@H]1CCCO1)CC2 ZINC000096075296 463169143 /nfs/dbraw/zinc/16/91/43/463169143.db2.gz YOLUUTRSQCGELB-QGZVFWFLSA-N 0 3 347.459 2.427 40 0 EEABHN Cc1ccoc1C(=O)N1CC[C@]2(C[C@H](OCCN3CCCC3)CO2)C1 ZINC000096107592 463175379 /nfs/dbraw/zinc/17/53/79/463175379.db2.gz VASGTFUNBJXEJS-LPHOPBHVSA-N 0 3 348.443 2.074 40 0 EEABHN COc1ccc(CNC[C@H]2COCc3nc4cc(F)ccc4n32)cn1 ZINC000096112736 463179505 /nfs/dbraw/zinc/17/95/05/463179505.db2.gz VXSHAPKQLIANSU-AWEZNQCLSA-N 0 3 342.374 2.440 40 0 biogenic,in-vitro EEABHN O=C(c1ccc(F)c(F)c1)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 ZINC000096205804 463208361 /nfs/dbraw/zinc/20/83/61/463208361.db2.gz BYFHVJQJSNLXEZ-WMLDXEAASA-N 0 3 336.382 2.148 40 0 EEABHN CC(C)N(C[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)[C@H](C)N ZINC000079393152 463210786 /nfs/dbraw/zinc/21/07/86/463210786.db2.gz ZWBWSRHMIAURRR-DOTOQJQBSA-N 0 3 347.459 2.372 40 0 EEABHN COc1ccc(CN2CC[C@]3(C[C@H](Nc4cnccn4)CO3)C2)cc1 ZINC000096219411 463216232 /nfs/dbraw/zinc/21/62/32/463216232.db2.gz KMMAAZBJHUNIJR-LPHOPBHVSA-N 0 3 340.427 2.331 40 0 EEABHN CC(C)CNc1nc2c(cc1C(=O)NCC1CC1)CCN(C)CC2 ZINC000096260536 463231096 /nfs/dbraw/zinc/23/10/96/463231096.db2.gz XGTXKIUGTGZCJT-UHFFFAOYSA-N 0 3 330.476 2.320 40 0 EEABHN O=C(NCCCNCc1cccnc1)[C@@H]1CCOc2ccccc21 ZINC000096404735 463239086 /nfs/dbraw/zinc/23/90/86/463239086.db2.gz YXOFBADKXCRZHB-QGZVFWFLSA-N 0 3 325.412 2.244 40 0 EEABHN O=S(=O)(Cc1cccc2cccnc21)NC[C@H]1CCN(C2CC2)C1 ZINC000096427683 463257354 /nfs/dbraw/zinc/25/73/54/463257354.db2.gz JMUDOLZAOGKOIR-CQSZACIVSA-N 0 3 345.468 2.139 40 0 EEABHN CN1CCC[C@H](N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 ZINC000096455785 463275468 /nfs/dbraw/zinc/27/54/68/463275468.db2.gz XJDBMDTYBXBMDO-AWEZNQCLSA-N 0 3 328.382 2.317 40 0 EEABHN O=C(c1ccccc1)N1CCC[C@@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216289 463484188 /nfs/dbraw/zinc/48/41/88/463484188.db2.gz YWQGXVVRBDBSPM-GOSISDBHSA-N 0 3 336.439 2.469 40 0 EEABHN Cc1noc(C)c1-c1cc([C@@H]2CCCN2CCC(N)=O)nc(C)n1 ZINC000257323751 463778529 /nfs/dbraw/zinc/77/85/29/463778529.db2.gz WLRRGHNPTGRUKG-HNNXBMFYSA-N 0 3 329.404 2.069 40 0 EEABHN COC[C@@H](C)CN1CCCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000195572982 464078413 /nfs/dbraw/zinc/07/84/13/464078413.db2.gz BVGAMWXARJWHBD-ZDUSSCGKSA-N 0 3 326.387 2.395 40 0 EEABHN C[C@H](N)C(=O)N[C@H]1CC[C@H](N(C)C(=O)OCc2ccccc2)CC1 ZINC000242592357 464457959 /nfs/dbraw/zinc/45/79/59/464457959.db2.gz ORFKSILSHDAZLH-BPUTZDHNSA-N 0 3 333.432 2.030 40 0 EEABHN O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CC[C@@H](N2CCCC2)C1 ZINC000247658110 464700086 /nfs/dbraw/zinc/70/00/86/464700086.db2.gz XLQTZAJSAVALLM-LULLPPNCSA-N 0 3 325.456 2.452 40 0 EEABHN CN1CC[C@@H](COc2ccccn2)CC12CN(C1CCOCC1)C2 ZINC000248125690 464731877 /nfs/dbraw/zinc/73/18/77/464731877.db2.gz LOULTCDQUILQRJ-MRXNPFEDSA-N 0 3 331.460 2.036 40 0 EEABHN O=C(NC[C@H]1CO[C@@H]2CN(Cc3cccs3)C[C@H]12)c1cccnc1 ZINC000306133606 466491704 /nfs/dbraw/zinc/49/17/04/466491704.db2.gz MQRKLSVBMTVSRC-USXIJHARSA-N 0 3 343.452 2.020 40 0 EEABHN CC(=O)NC1CCN([C@H]2CCC[C@@H](Oc3cccc(C)c3)[C@@H]2O)CC1 ZINC000585288502 469010155 /nfs/dbraw/zinc/01/01/55/469010155.db2.gz CFSBXRBKZKSPMW-XUVXKRRUSA-N 0 3 346.471 2.256 40 0 EEABHN CC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccccc2)nn1C ZINC000008635326 539327144 /nfs/dbraw/zinc/32/71/44/539327144.db2.gz PPILZYJPTPVERH-KSZLIROESA-N 0 3 338.455 2.401 40 0 biogenic,in-vitro EEABHN COc1ccc(C[N@@H+]2CC[C@@H](c3cc(=O)[n-]c(C)n3)C2)cc1OC ZINC000019285235 202002510 /nfs/dbraw/zinc/00/25/10/202002510.db2.gz HLYWLUOCYWMRFI-CQSZACIVSA-N 0 3 329.400 2.085 40 0 EEABHN COc1ccc(C[N@H+]2CC[C@@H](c3cc(=O)[n-]c(C)n3)C2)cc1OC ZINC000019285235 202002514 /nfs/dbraw/zinc/00/25/14/202002514.db2.gz HLYWLUOCYWMRFI-CQSZACIVSA-N 0 3 329.400 2.085 40 0 EEABHN C[C@H](SCc1ccccc1)C(=O)NCCCN1CCN(C)CC1 ZINC000022934663 202095313 /nfs/dbraw/zinc/09/53/13/202095313.db2.gz JHQHMAZAGZULNL-INIZCTEOSA-N 0 3 335.517 2.062 40 0 EEABHN CN1CCC[C@@H](CNc2ccc3nnnn3n2)[C@H]1c1cccs1 ZINC000245316734 201151843 /nfs/dbraw/zinc/15/18/43/201151843.db2.gz KLHAACFODGTKJI-NHYWBVRUSA-N 0 3 329.433 2.076 40 0 EEABHN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)CO)cc1 ZINC000218457341 241323398 /nfs/dbraw/zinc/32/33/98/241323398.db2.gz CYINEGSJVUKCIV-QRVBRYPASA-N 0 3 345.464 2.126 40 0 EEABHN CNc1cc(C)nc([C@@H]2CN(C(=O)c3ccnn3C(C)C)CCO2)c1 ZINC000257223921 244195083 /nfs/dbraw/zinc/19/50/83/244195083.db2.gz DZNZJNDSOUBNBG-KRWDZBQOSA-N 0 3 343.431 2.423 40 0 EEABHN Cc1cccc(Nc2cc([C@@H]3CCCN(CCO)C3)nc(C)n2)n1 ZINC000072360127 203205247 /nfs/dbraw/zinc/20/52/47/203205247.db2.gz SPLDBCOLHVVMRA-OAHLLOKOSA-N 0 3 327.432 2.404 40 0 EEABHN O=C1CC2(CN1Cc1cccnc1)CCN(Cc1ccncc1)CC2 ZINC000108528194 204265448 /nfs/dbraw/zinc/26/54/48/204265448.db2.gz XMHRVMCXWHXJIX-UHFFFAOYSA-N 0 3 336.439 2.491 40 0 EEABHN [NH3+][C@@H](C[N-]S(=O)(=O)c1cccc(F)c1F)c1ccc(F)cc1F ZINC000095432011 218375183 /nfs/dbraw/zinc/37/51/83/218375183.db2.gz OPGRUILGBMLZFI-LBPRGKRZSA-N 0 3 348.321 2.221 40 0 EEABHN Cc1nccn1-c1ccc([C@H](C)NC[C@H]2CCCS2(=O)=O)cc1 ZINC000090467132 462793732 /nfs/dbraw/zinc/79/37/32/462793732.db2.gz VQDKHQMLRYECNV-SUMWQHHRSA-N 0 3 333.457 2.409 40 0 EEABHN C[C@H]1COCCN1C(=O)NCCC1CCN(c2ccncc2)CC1 ZINC000091250885 462866744 /nfs/dbraw/zinc/86/67/44/462866744.db2.gz AOTOSUBAFQWTHE-HNNXBMFYSA-N 0 3 332.448 2.118 40 0 EEABHN Cc1ccc(N[C@@H]2CN(Cc3ccccn3)C[C@@H]3CCCO[C@H]23)nn1 ZINC000096040701 463144937 /nfs/dbraw/zinc/14/49/37/463144937.db2.gz WKXFNHPJSHUMBZ-WDYCEAGBSA-N 0 3 339.443 2.272 40 0 EEABHN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2CCN(CC3CCC3)C[C@@H]2O1 ZINC000096041034 463145031 /nfs/dbraw/zinc/14/50/31/463145031.db2.gz ASNLNUOKXFPZGW-WDSOQIARSA-N 0 3 343.471 2.320 40 0 EEABHN Cn1cc(CN2CCC[C@@]3(CCN(Cc4nccs4)C3)C2)cn1 ZINC000096046982 463149687 /nfs/dbraw/zinc/14/96/87/463149687.db2.gz SBJSRPQGVHSJKS-QGZVFWFLSA-N 0 3 331.489 2.365 40 0 EEABHN Cc1nc(CO[C@@H]2CO[C@]3(CCN(Cc4cnc[nH]4)C3)C2)cs1 ZINC000096072411 463167339 /nfs/dbraw/zinc/16/73/39/463167339.db2.gz QCTHLMPVTXGDCB-JKSUJKDBSA-N 0 3 334.445 2.125 40 0 EEABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)c1ccnc3ccccc31)CC[C@@H]2OC ZINC000096109412 463178078 /nfs/dbraw/zinc/17/80/78/463178078.db2.gz MKTZONJWGHISJP-UHOSZYNNSA-N 0 3 339.439 2.416 40 0 EEABHN Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CCC[C@@H](CN(C)C)O2 ZINC000096206400 463208710 /nfs/dbraw/zinc/20/87/10/463208710.db2.gz DSHJZFBPRQIRTM-FXAWDEMLSA-N 0 3 346.471 2.476 40 0 EEABHN CO[C@H]1CCN(C(=O)C2=CCCC2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096207948 463210897 /nfs/dbraw/zinc/21/08/97/463210897.db2.gz UFFMFZAJKWHOGI-OTWHNJEPSA-N 0 3 341.455 2.240 40 0 EEABHN COc1ccccc1CN1CC[C@]2(C1)C[C@H](N1CCCC1=O)CCO2 ZINC000096207886 463210946 /nfs/dbraw/zinc/21/09/46/463210946.db2.gz VQEQOOULRXNRKG-YLJYHZDGSA-N 0 3 344.455 2.441 40 0 EEABHN CCN(C[C@H]1CCN(C(=O)[C@@H](N)C(C)C)C1)C(=O)OC(C)(C)C ZINC000079410164 463211843 /nfs/dbraw/zinc/21/18/43/463211843.db2.gz RKOVENNLVDZUCQ-KGLIPLIRSA-N 0 3 327.469 2.075 40 0 EEABHN CCN(C(=O)OCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000079413266 463212296 /nfs/dbraw/zinc/21/22/96/463212296.db2.gz PSBXASJIQIQREC-SJORKVTESA-N 0 3 347.459 2.229 40 0 EEABHN O=C(c1ccncc1)N1C[C@H]2CN(Cc3ccccc3F)C[C@@H]2C1 ZINC000096245579 463227401 /nfs/dbraw/zinc/22/74/01/463227401.db2.gz XCDPGGZJOVAQKP-IAGOWNOFSA-N 0 3 325.387 2.425 40 0 EEABHN COCCN1CC[C@H](NC(=O)N[C@H](c2ncccc2C)C(C)C)C1 ZINC000096413329 463246282 /nfs/dbraw/zinc/24/62/82/463246282.db2.gz GVCZCWBQYATKNM-HOTGVXAUSA-N 0 3 334.464 2.107 40 0 EEABHN CC(C)[C@H](C)NC(=O)C1CCN(CCOC[C@H]2CCCO2)CC1 ZINC000096421095 463253167 /nfs/dbraw/zinc/25/31/67/463253167.db2.gz SRLNVRPZGQSRCR-DOTOQJQBSA-N 0 3 326.481 2.055 40 0 EEABHN Cc1cccc(C)c1NCC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000096426559 463256120 /nfs/dbraw/zinc/25/61/20/463256120.db2.gz YYUFOFMRIYXZMY-UHFFFAOYSA-N 0 3 345.487 2.429 40 0 EEABHN Cc1nc(CCNC(=O)CC2(N3CCOCC3)CCCC2)cs1 ZINC000096444587 463269440 /nfs/dbraw/zinc/26/94/40/463269440.db2.gz KYFMOCJSKBFKRO-UHFFFAOYSA-N 0 3 337.489 2.145 40 0 EEABHN CC(C)Oc1ccc([C@@H]2CN(C(=O)Cc3c[nH]cn3)CCN2C)cc1 ZINC000257339891 463785817 /nfs/dbraw/zinc/78/58/17/463785817.db2.gz ZDPGDWUOBNJZGZ-SFHVURJKSA-N 0 3 342.443 2.255 40 0 EEABHN OCCN1CCC[C@H](Cc2ccc(NCc3ccccc3)nn2)C1 ZINC000257342237 463787041 /nfs/dbraw/zinc/78/70/41/463787041.db2.gz ZNSCNHTXJXQFEJ-QGZVFWFLSA-N 0 3 326.444 2.336 40 0 EEABHN CC[C@@H](N[C@@H]1CCCc2c(OC)cccc21)C(=O)N1CCOCC1 ZINC000194910282 463956433 /nfs/dbraw/zinc/95/64/33/463956433.db2.gz YNVVICJVJRXOQX-IAGOWNOFSA-N 0 3 332.444 2.300 40 0 EEABHN C[C@H](Cc1ccccc1F)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000188219912 464227777 /nfs/dbraw/zinc/22/77/77/464227777.db2.gz AXQQGZBMQKOFHE-CZUORRHYSA-N 0 3 330.407 2.275 40 0 EEABHN CC(C)N(C(=O)OCc1ccccc1)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000242687750 464458714 /nfs/dbraw/zinc/45/87/14/464458714.db2.gz UUVNEFRGHOGDSQ-QAQDUYKDSA-N 0 3 347.459 2.420 40 0 EEABHN CC(C)(C)c1ncc(/C=C/C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)s1 ZINC000245289888 464470212 /nfs/dbraw/zinc/47/02/12/464470212.db2.gz FXGDFCKNNRWKCW-HYLRALAJSA-N 0 3 349.500 2.433 40 0 EEABHN CN1CC[C@@H](COc2ccccn2)CC12CN(Cc1cccnc1)C2 ZINC000248157529 464735672 /nfs/dbraw/zinc/73/56/72/464735672.db2.gz WEIIHNIVOYJKFE-QGZVFWFLSA-N 0 3 338.455 2.452 40 0 EEABHN CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)CN)cc1 ZINC000252515969 464977939 /nfs/dbraw/zinc/97/79/39/464977939.db2.gz OZIFQFHUBZQUSV-QYZOEREBSA-N 0 3 344.480 2.153 40 0 EEABHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000329637586 465394700 /nfs/dbraw/zinc/39/47/00/465394700.db2.gz AJTBVOMYMXVITA-FPSMNIFISA-N 0 3 343.533 2.463 40 0 EEABHN Cc1cc(F)ccc1C(=O)N1CC2(C1)C[C@H](CO)CN2CC1CC1 ZINC000585093926 468963332 /nfs/dbraw/zinc/96/33/32/468963332.db2.gz PYCJXGCXAFJCKR-HNNXBMFYSA-N 0 3 332.419 2.053 40 0 EEABHN CN(C)c1nc([C@@H]2CCCN2CC2(O)CCOCC2)cn2cccc12 ZINC000585178757 468994172 /nfs/dbraw/zinc/99/41/72/468994172.db2.gz HTEIOWMDRWQVSW-INIZCTEOSA-N 0 3 344.459 2.079 40 0 EEABHN Cc1cccc(OC[C@@]2(O)COCCN(CC3(O)CCCCC3)C2)c1 ZINC000585279466 469006655 /nfs/dbraw/zinc/00/66/55/469006655.db2.gz ZLAHGHLWNUCKFU-FQEVSTJZSA-N 0 3 349.471 2.132 40 0 EEABHN CC(C)(CNC(=O)NC[C@@H]1CC[C@@H](O)C1)N1CCc2ccccc2C1 ZINC000190124278 527133333 /nfs/dbraw/zinc/13/33/33/527133333.db2.gz GJLLJWZGBZIDTJ-CRAIPNDOSA-N 0 3 345.487 2.284 40 0 EEABHN CCc1nnsc1C(=O)N1CC[C@@H](c2cc(NC)cc(C)n2)C1 ZINC000257205865 535866253 /nfs/dbraw/zinc/86/62/53/535866253.db2.gz BAXGXVVIEQRXCW-LLVKDONJSA-N 0 3 331.445 2.475 40 0 EEABHN CC(C)n1c2ccccc2nc1CN1C[C@@H]2C[C@@H](O)CN2C[C@H]1C ZINC000019575349 202013992 /nfs/dbraw/zinc/01/39/92/202013992.db2.gz VTHCNUCNRJQSNG-OWCLPIDISA-N 0 3 328.460 2.257 40 0 EEABHN Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCCN2CCN(C)CC2)c1 ZINC000020482424 202045297 /nfs/dbraw/zinc/04/52/97/202045297.db2.gz IFWOVHJIFZNFFS-GOSISDBHSA-N 0 3 347.503 2.133 40 0 EEABHN CC(C)c1noc(CCNC(=O)NC[C@H](C)N2CCC[C@H](C)C2)n1 ZINC000069402156 202278026 /nfs/dbraw/zinc/27/80/26/202278026.db2.gz PACXVKPSLMSFPB-KBPBESRZSA-N 0 3 337.468 2.155 40 0 EEABHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2n(n1)CCCO2 ZINC000077866104 202393990 /nfs/dbraw/zinc/39/39/90/202393990.db2.gz ATHSXMYZKSGENN-UHFFFAOYSA-N 0 3 340.427 2.060 40 0 EEABHN CNc1cc(C)nc([C@H]2CN(C(=O)CCCn3cccn3)CCO2)c1 ZINC000257205158 244131238 /nfs/dbraw/zinc/13/12/38/244131238.db2.gz AXWZXUBHLPCMKY-QGZVFWFLSA-N 0 3 343.431 2.009 40 0 EEABHN CNCC(=O)N1CCC[C@@H](c2cncc(Oc3cccc(F)c3)n2)C1 ZINC000072363304 203206748 /nfs/dbraw/zinc/20/67/48/203206748.db2.gz BVPZUOAVTRMYLF-CYBMUJFWSA-N 0 3 344.390 2.333 40 0 EEABHN CN1CCOCC2(CC(Cc3nc(N4CCCC4)ncc3F)C2)C1 ZINC000257262967 244353795 /nfs/dbraw/zinc/35/37/95/244353795.db2.gz LNUOKOKXRKDEGM-UHFFFAOYSA-N 0 3 334.439 2.117 40 0 EEABHN Cc1ccc(CN2CCC3(CCN(c4cncnc4)C3=O)CC2)o1 ZINC000107063052 204223393 /nfs/dbraw/zinc/22/33/93/204223393.db2.gz ITANDIZUTYMMAX-UHFFFAOYSA-N 0 3 326.400 2.397 40 0 EEABHN O=C(NC1CC2(C1)CCN(Cc1ccccn1)CC2)c1ccnnc1 ZINC000108534362 204266860 /nfs/dbraw/zinc/26/68/60/204266860.db2.gz ZDJUGFKXQXFORZ-UHFFFAOYSA-N 0 3 337.427 2.046 40 0 EEABHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(C)nn1C ZINC000096405204 285253042 /nfs/dbraw/zinc/25/30/42/285253042.db2.gz AKLXPOSLIDTQJQ-QGZVFWFLSA-N 0 3 341.459 2.250 40 0 EEABHN COc1cccc2c1nc(NC(=O)[C@H](C1CC1)N1CCCC1)n2C ZINC000274616604 269041471 /nfs/dbraw/zinc/04/14/71/269041471.db2.gz OWFAGCHRHFJVNN-INIZCTEOSA-N 0 3 328.416 2.395 40 0 EEABHN CCN1CCN(CCC(=O)N2C[C@@H](C)OC[C@H]2c2ccccc2)CC1 ZINC000074196540 279355066 /nfs/dbraw/zinc/35/50/66/279355066.db2.gz IJECZHVRFBQNEQ-MJGOQNOKSA-N 0 3 345.487 2.003 40 0 EEABHN O=C([C@@H]1CCCN1C1CCOCC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000253432267 280086136 /nfs/dbraw/zinc/08/61/36/280086136.db2.gz XNZNGDJECMQYHB-JSGCOSHPSA-N 0 3 334.382 2.431 40 0 EEABHN O=S1(=O)CCC[C@H](NC[C@H]2CCCN2CC2CCCCC2)C1 ZINC000195549797 323514343 /nfs/dbraw/zinc/51/43/43/323514343.db2.gz AVDSEJIAOGQUCC-DLBZAZTESA-N 0 3 328.522 2.198 40 0 EEABHN O=C(c1cnccn1)N1CCC2(CCN(Cc3ccoc3)C2)CC1 ZINC000096046670 463149676 /nfs/dbraw/zinc/14/96/76/463149676.db2.gz BCBFVIIDZODMRL-UHFFFAOYSA-N 0 3 326.400 2.198 40 0 EEABHN O=c1cc(CN2CCCC2)nc2n1CCCN(Cc1ccsc1)C2 ZINC000096059572 463159455 /nfs/dbraw/zinc/15/94/55/463159455.db2.gz OJQBUVFSNLMUFU-UHFFFAOYSA-N 0 3 344.484 2.307 40 0 EEABHN Cc1ccc(CN2CCC3(CC2)[C@@H](c2cnn(C)c2)CC(=O)N3C)o1 ZINC000096061519 463161832 /nfs/dbraw/zinc/16/18/32/463161832.db2.gz UTSALGOXORAIAW-QGZVFWFLSA-N 0 3 342.443 2.302 40 0 EEABHN C[C@@H](NC1(CNC(=O)[C@@H]2CCOC2)CCOCC1)c1ccccc1 ZINC000079096285 463188208 /nfs/dbraw/zinc/18/82/08/463188208.db2.gz VVJCIOORLHYZNQ-NVXWUHKLSA-N 0 3 332.444 2.039 40 0 EEABHN Cc1nc(CN2CC[C@@]3(CCN(Cc4cccn4C)C3)C2=O)cs1 ZINC000096159433 463190781 /nfs/dbraw/zinc/19/07/81/463190781.db2.gz JGFGTHUAVXPYFK-GOSISDBHSA-N 0 3 344.484 2.415 40 0 EEABHN Cc1ccsc1C(=O)N1CC[C@@H](N(C)C)[C@@H]1Cc1cnn(C)c1 ZINC000096200918 463205631 /nfs/dbraw/zinc/20/56/31/463205631.db2.gz NAIVYLZGRWCPDN-CABCVRRESA-N 0 3 332.473 2.177 40 0 EEABHN CC(C)[C@H](N)C(=O)N(C)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079393273 463211014 /nfs/dbraw/zinc/21/10/14/463211014.db2.gz ONWOKHOBYCCEBC-SJORKVTESA-N 0 3 347.459 2.087 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CCCC[C@@H]1CNC(=O)OCc1ccccc1 ZINC000079428188 463213308 /nfs/dbraw/zinc/21/33/08/463213308.db2.gz SUVKDXVGAXPEIC-SJORKVTESA-N 0 3 347.459 2.277 40 0 EEABHN O=C([C@H]1CCC2(CCN(Cc3cccs3)CC2)O1)N1CCCO1 ZINC000096215548 463214290 /nfs/dbraw/zinc/21/42/90/463214290.db2.gz VHNWIANAYPANGX-OAHLLOKOSA-N 0 3 336.457 2.426 40 0 EEABHN CCOC(=O)CN1CC[C@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216446 463215607 /nfs/dbraw/zinc/21/56/07/463215607.db2.gz YNADHSARQSWVJR-HXUWFJFHSA-N 0 3 346.471 2.416 40 0 EEABHN Cc1cccc(CN2C[C@H]3CCN(Cc4ccncc4)C(=O)[C@@H]3C2)n1 ZINC000096249094 463226739 /nfs/dbraw/zinc/22/67/39/463226739.db2.gz RBMJOCSMYXWDIX-IEBWSBKVSA-N 0 3 336.439 2.266 40 0 EEABHN O=C(c1ccccc1F)N1C[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C1 ZINC000096246144 463227380 /nfs/dbraw/zinc/22/73/80/463227380.db2.gz SOZUFTVVYSEPRG-ARFHVFGLSA-N 0 3 332.419 2.399 40 0 EEABHN CC(C)n1cc(S(=O)(=O)NCCN(C)C2CCCCC2)cn1 ZINC000096427827 463256652 /nfs/dbraw/zinc/25/66/52/463256652.db2.gz LEEYFTQSKLKNSW-UHFFFAOYSA-N 0 3 328.482 2.007 40 0 EEABHN COc1cccc(N2CCC[C@H](N[C@@H](C)Cn3cccn3)C2=O)c1 ZINC000138487619 463309801 /nfs/dbraw/zinc/30/98/01/463309801.db2.gz RJTCZFLHPRZPIC-YOEHRIQHSA-N 0 3 328.416 2.065 40 0 EEABHN COc1cccc(/C(C)=C/C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000081727828 463484415 /nfs/dbraw/zinc/48/44/15/463484415.db2.gz UFKUDKRSTKNMLM-QBLLMVIDSA-N 0 3 330.428 2.078 40 0 EEABHN O=C(c1cccc2[nH]ccc21)N1CCN(CC2CCOCC2)CC1 ZINC000081763479 463490012 /nfs/dbraw/zinc/49/00/12/463490012.db2.gz XGYXTKZIXAYEJI-UHFFFAOYSA-N 0 3 327.428 2.352 40 0 EEABHN CN(C)C(=O)CN1CCC[C@@H](Cc2ccnc3ccncc23)CC1 ZINC000257331929 463780689 /nfs/dbraw/zinc/78/06/89/463780689.db2.gz XUXURETYTLUHBH-OAHLLOKOSA-N 0 3 326.444 2.363 40 0 EEABHN C[C@@H](NCCn1ccnc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000225547097 464171243 /nfs/dbraw/zinc/17/12/43/464171243.db2.gz FFIPYOPPHWKRMS-CQSZACIVSA-N 0 3 332.423 2.334 40 0 EEABHN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2NC[C@H](C)CO)cc1 ZINC000248533380 464762584 /nfs/dbraw/zinc/76/25/84/464762584.db2.gz ZBZPKPVXZXDFMW-USXIJHARSA-N 0 3 325.474 2.298 40 0 EEABHN CN1CCC(Oc2ccc(CNC(=O)N3CCSCC3)cc2)CC1 ZINC000252480670 464960800 /nfs/dbraw/zinc/96/08/00/464960800.db2.gz CCCHVMGCIARHHI-UHFFFAOYSA-N 0 3 349.500 2.418 40 0 EEABHN COc1cccc([C@@H]2[C@H](NCC(=O)NC(C)C)CCN2C2CC2)c1 ZINC000252499200 464971601 /nfs/dbraw/zinc/97/16/01/464971601.db2.gz RWYKDBCXLYCPOJ-IEBWSBKVSA-N 0 3 331.460 2.087 40 0 EEABHN COCCN1CCC[C@@H]1CNC(=O)NCC1CCC(F)(F)CC1 ZINC000252500507 464972715 /nfs/dbraw/zinc/97/27/15/464972715.db2.gz SWZQPFFTCTUJNA-CQSZACIVSA-N 0 3 333.423 2.222 40 0 EEABHN c1cncc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)c1 ZINC000253431015 465013391 /nfs/dbraw/zinc/01/33/91/465013391.db2.gz PYMHSRQSSURGGI-DNVCBOLYSA-N 0 3 348.410 2.475 40 0 EEABHN CCOC(=O)C1=C(C)NC(SCC(=O)OC)=N[C@@H]1c1ccccc1 ZINC000408993770 466684302 /nfs/dbraw/zinc/68/43/02/466684302.db2.gz XKUSJZQPMMWTGY-OAHLLOKOSA-N 0 3 348.424 2.430 40 0 EEABHN Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@@H]1CN1CCCCC1 ZINC000585098445 468966845 /nfs/dbraw/zinc/96/68/45/468966845.db2.gz YSMOGVUGWOJMHN-OAHLLOKOSA-N 0 3 343.431 2.080 40 0 EEABHN COc1ccc(C[C@@H]2CC3(CO2)CCN(C(=O)C(C)(C)N)CC3)cc1 ZINC000257235116 536508122 /nfs/dbraw/zinc/50/81/22/536508122.db2.gz GWMOIAJPBHJCKG-QGZVFWFLSA-N 0 3 346.471 2.373 40 0 EEABHN CN1CCC(c2nnc3n2CCN(C(=O)C2CCCCC2)CC3)CC1 ZINC000019708933 202016435 /nfs/dbraw/zinc/01/64/35/202016435.db2.gz OOXNWAMXYQCVPF-UHFFFAOYSA-N 0 3 345.491 2.052 40 0 EEABHN Cc1n[nH]cc1CN[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000078553283 202395903 /nfs/dbraw/zinc/39/59/03/202395903.db2.gz VZNQOJMXJMRDAV-AWEZNQCLSA-N 0 3 331.439 2.460 40 0 EEABHN CC(=O)N1CC2(CCN(Cc3cncc(C)c3)CC2)C[C@@H](O)C1(C)C ZINC000257202785 244124559 /nfs/dbraw/zinc/12/45/59/244124559.db2.gz ANKNEXFGGZLDSR-GOSISDBHSA-N 0 3 345.487 2.364 40 0 EEABHN Cn1cncc1CN1CCC2(C[C@H](Cc3cccnc3)CO2)CC1 ZINC000257220387 244181325 /nfs/dbraw/zinc/18/13/25/244181325.db2.gz DKPXEYIACYAKBB-KRWDZBQOSA-N 0 3 326.444 2.429 40 0 EEABHN c1ccc(CCN2CCc3nnc([C@H]4CCCCN4)n3CC2)cc1 ZINC000072372839 203208866 /nfs/dbraw/zinc/20/88/66/203208866.db2.gz YOYLBXCPIOLNJU-QGZVFWFLSA-N 0 3 325.460 2.194 40 0 EEABHN COCCN1CCC[C@H](c2cc(Nc3cnccn3)nc(C)n2)C1 ZINC000072360198 203204504 /nfs/dbraw/zinc/20/45/04/203204504.db2.gz APEJYEFJDKTMBI-AWEZNQCLSA-N 0 3 328.420 2.144 40 0 EEABHN CCOc1ccc(CN2CC[C@H](OC)[C@]3(CCCO3)C2)cc1CO ZINC000257259854 244294318 /nfs/dbraw/zinc/29/43/18/244294318.db2.gz LAIFHOJPQKEOLA-OALUTQOASA-N 0 3 335.444 2.348 40 0 EEABHN COc1cccc(CN2CCC3(CN(C(C)=O)[C@](C)(CO)C3)CC2)c1 ZINC000257249807 244266112 /nfs/dbraw/zinc/26/61/12/244266112.db2.gz JJVPXVJYIXUESY-IBGZPJMESA-N 0 3 346.471 2.281 40 0 EEABHN O=C(c1ccccc1F)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257252077 244270421 /nfs/dbraw/zinc/27/04/21/244270421.db2.gz JTLCZHDRHBXYKX-MRXNPFEDSA-N 0 3 342.361 2.134 40 0 EEABHN Cc1cccc(C)c1C[N@@H+]1CCOC[C@H](Cc2cc(=O)[n-]cn2)C1 ZINC000257260530 244347379 /nfs/dbraw/zinc/34/73/79/244347379.db2.gz LDGWAUHRFJNNNT-MRXNPFEDSA-N 0 3 327.428 2.490 40 0 EEABHN Cc1cccc(C)c1C[N@H+]1CCOC[C@H](Cc2cc(=O)[n-]cn2)C1 ZINC000257260530 244347386 /nfs/dbraw/zinc/34/73/86/244347386.db2.gz LDGWAUHRFJNNNT-MRXNPFEDSA-N 0 3 327.428 2.490 40 0 EEABHN Cc1ccc(CN2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)o1 ZINC000107746771 204246435 /nfs/dbraw/zinc/24/64/35/204246435.db2.gz OFMSMMDLIZTAPY-MJGOQNOKSA-N 0 3 327.428 2.458 40 0 EEABHN Cc1nn(C)cc1CN1CCC2(CC(NC(=O)c3ccco3)C2)CC1 ZINC000108536530 204267054 /nfs/dbraw/zinc/26/70/54/204267054.db2.gz OLWDLCMJRJBGPV-UHFFFAOYSA-N 0 3 342.443 2.496 40 0 EEABHN CN1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000015674919 273869246 /nfs/dbraw/zinc/86/92/46/273869246.db2.gz UEFTYLBBMMQPTF-CVEARBPZSA-N 0 3 346.406 2.078 40 0 biogenic,in-vitro EEABHN CCNC(=S)N(CCN(C)C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004133408 276419722 /nfs/dbraw/zinc/41/97/22/276419722.db2.gz FQOLIENZQCZKQC-UHFFFAOYSA-N 0 3 346.500 2.095 40 0 EEABHN O=C([C@H]1CCCN1C1CCOCC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000253432269 280132306 /nfs/dbraw/zinc/13/23/06/280132306.db2.gz XNZNGDJECMQYHB-TZMCWYRMSA-N 0 3 334.382 2.431 40 0 EEABHN CCn1nncc1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000332754602 312052516 /nfs/dbraw/zinc/05/25/16/312052516.db2.gz KWOLJEDHOYYRNU-DOMZBBRYSA-N 0 3 333.461 2.172 40 0 EEABHN N[C@@H]1CN(C(=O)[C@H]2OCCc3ccccc32)C[C@H]1c1ccccc1F ZINC000333256934 312119658 /nfs/dbraw/zinc/11/96/58/312119658.db2.gz IDLWVLFCAWGHRM-UHOSZYNNSA-N 0 3 340.398 2.393 40 0 EEABHN CCS[C@@H]1CCCC[C@H]1N[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000190015948 323466521 /nfs/dbraw/zinc/46/65/21/323466521.db2.gz NBKRLTLEDAZVTE-RBSFLKMASA-N 0 3 336.505 2.488 40 0 EEABHN CCCC(=O)NC(=S)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000006515984 462688413 /nfs/dbraw/zinc/68/84/13/462688413.db2.gz WSRLWIIVWNPPDI-UHFFFAOYSA-N 0 3 334.489 2.442 40 0 EEABHN Cn1cc(CN2CCC[C@]3(CCN(Cc4ccccn4)C3)C2)cn1 ZINC000096046991 463150168 /nfs/dbraw/zinc/15/01/68/463150168.db2.gz PLGXCMOWJVBBFJ-IBGZPJMESA-N 0 3 325.460 2.303 40 0 EEABHN Cc1nc([C@H]2C[C@@H]3CCN(Cc4ccc5c(c4)OCO5)C[C@H]3O2)n[nH]1 ZINC000096046203 463150646 /nfs/dbraw/zinc/15/06/46/463150646.db2.gz OEGWNIIBPMZWBL-IAOVAPTHSA-N 0 3 342.399 2.194 40 0 EEABHN Cn1cc(CN2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)cn1 ZINC000096050716 463154261 /nfs/dbraw/zinc/15/42/61/463154261.db2.gz AFCKNFJUDDOVGZ-GOSISDBHSA-N 0 3 328.391 2.188 40 0 EEABHN Cc1cccc(CO[C@@H]2C[C@@H]3CN(Cc4ccco4)CCN3C2)n1 ZINC000096055062 463156970 /nfs/dbraw/zinc/15/69/70/463156970.db2.gz SRBYCHLFLJTOKI-IEBWSBKVSA-N 0 3 327.428 2.458 40 0 EEABHN Cc1ccc(CN2CC[C@@H]3O[C@@H](COCC(=O)N(C)C)CC[C@@H]32)cc1 ZINC000096064607 463163659 /nfs/dbraw/zinc/16/36/59/463163659.db2.gz OIJPZFZSSWREOE-QYZOEREBSA-N 0 3 346.471 2.222 40 0 EEABHN Cc1nc(CO[C@H]2CO[C@@]3(CCN(Cc4cnc[nH]4)C3)C2)cs1 ZINC000096072412 463167390 /nfs/dbraw/zinc/16/73/90/463167390.db2.gz QCTHLMPVTXGDCB-CVEARBPZSA-N 0 3 334.445 2.125 40 0 EEABHN CC(=O)N1CC[C@H]2[C@H](C[C@@H](CN3CCCC3)N2c2nccs2)C1 ZINC000096185602 463197806 /nfs/dbraw/zinc/19/78/06/463197806.db2.gz OEPLYPKDRHBNJN-PMPSAXMXSA-N 0 3 334.489 2.055 40 0 EEABHN CO[C@@H]1CCN(CC2CCOCC2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096207279 463209790 /nfs/dbraw/zinc/20/97/90/463209790.db2.gz VAQROJYIOVDBSQ-XUVXKRRUSA-N 0 3 345.487 2.029 40 0 EEABHN Cc1nnc(C[C@@H]2OC[C@H]3CN(Cc4cccc(C)n4)CC[C@H]32)o1 ZINC000096208604 463211689 /nfs/dbraw/zinc/21/16/89/463211689.db2.gz MZEKIRDIRKWKST-OIISXLGYSA-N 0 3 328.416 2.161 40 0 EEABHN CC(C)N(C[C@H]1CCCN1C(=O)[C@H](C)N)C(=O)OCc1ccccc1 ZINC000079412941 463211903 /nfs/dbraw/zinc/21/19/03/463211903.db2.gz XLXWKBVYQAUXDR-DOTOQJQBSA-N 0 3 347.459 2.372 40 0 EEABHN CCOC[C@H]1C(=O)N(CC)CC12CCN(Cc1cccc(C)n1)CC2 ZINC000096208612 463211876 /nfs/dbraw/zinc/21/18/76/463211876.db2.gz PZHMKBOAFCJGKZ-SFHVURJKSA-N 0 3 345.487 2.487 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CCC[C@H](N(C)C(=O)OCc2ccccc2)C1 ZINC000079413196 463212309 /nfs/dbraw/zinc/21/23/09/463212309.db2.gz CPUDAMPPYACLHD-IRXDYDNUSA-N 0 3 347.459 2.229 40 0 EEABHN Cc1ccc(CN2CC[C@]3(C2)C(=O)NC[C@H]3COc2ccccn2)o1 ZINC000096217412 463215236 /nfs/dbraw/zinc/21/52/36/463215236.db2.gz SOROPDUHSLPJMW-HNAYVOBHSA-N 0 3 341.411 2.000 40 0 EEABHN O=C(CCCN1CCN(c2ccccc2)CC1)NC1CCC(O)CC1 ZINC000096408370 463241344 /nfs/dbraw/zinc/24/13/44/463241344.db2.gz LDPIDRVLXMBUIQ-UHFFFAOYSA-N 0 3 345.487 2.009 40 0 EEABHN CN(C)CCOc1cc(C(=O)N2CCc3c(F)cccc3C2)ccn1 ZINC000096500662 463291659 /nfs/dbraw/zinc/29/16/59/463291659.db2.gz BMICAXGJLFKDOF-UHFFFAOYSA-N 0 3 343.402 2.360 40 0 EEABHN COc1ccc(-c2noc([C@H]3CCCN3C3CCOCC3)n2)cn1 ZINC000097103466 463325045 /nfs/dbraw/zinc/32/50/45/463325045.db2.gz YSWYYLGEXUWANL-CQSZACIVSA-N 0 3 330.388 2.456 40 0 EEABHN Cc1ccc(Cl)c(OC[C@H](O)CN2C[C@H](CO)CC[C@@H]2C)c1 ZINC000097373574 463355449 /nfs/dbraw/zinc/35/54/49/463355449.db2.gz XKPJHZCKHLBXLQ-RRFJBIMHSA-N 0 3 327.852 2.481 40 0 EEABHN CN(C)C[C@@H](NC(=O)CCNC(=O)c1cccs1)c1ccccc1 ZINC000040467672 463455282 /nfs/dbraw/zinc/45/52/82/463455282.db2.gz GFKLLBVETYITHP-OAHLLOKOSA-N 0 3 345.468 2.287 40 0 EEABHN Cc1cc(=O)n2nc(N[C@H]3CCN(Cc4ccccc4)C3)sc2n1 ZINC000040489707 463456963 /nfs/dbraw/zinc/45/69/63/463456963.db2.gz CEGYMPCJFQBOPM-AWEZNQCLSA-N 0 3 341.440 2.146 40 0 EEABHN CNCC(=O)N1CCCC[C@H]1c1nc(C)cc(Nc2nccs2)n1 ZINC000072363284 463509871 /nfs/dbraw/zinc/50/98/71/463509871.db2.gz MJKHMQDZXLFRSN-LBPRGKRZSA-N 0 3 346.460 2.258 40 0 EEABHN c1cnc(Nc2cc(CC3CCN([C@H]4CCOC4)CC3)ncn2)cn1 ZINC000257294386 463765527 /nfs/dbraw/zinc/76/55/27/463765527.db2.gz QTWMJHBWIYQUIQ-INIZCTEOSA-N 0 3 340.431 2.054 40 0 EEABHN COc1ccc(Cl)cc1S(=O)(=O)NCCCN1CCCC1 ZINC000225579349 464173226 /nfs/dbraw/zinc/17/32/26/464173226.db2.gz OSOZQCVADUCMNX-UHFFFAOYSA-N 0 3 332.853 2.113 40 0 EEABHN CC(C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1)S(C)(=O)=O ZINC000188153070 464212181 /nfs/dbraw/zinc/21/21/81/464212181.db2.gz AMFIQBPMUPSXTF-SNVBAGLBSA-N 0 3 349.374 2.286 40 0 EEABHN Cc1ccn(C)c(=O)c1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000249085261 464838836 /nfs/dbraw/zinc/83/88/36/464838836.db2.gz TVLRZIIMRUIOFQ-RDJZCZTQSA-N 0 3 340.427 2.261 40 0 EEABHN CN1CCN(CC2CCN(C(=O)NC[C@H]3CC=CCC3)CC2)CC1 ZINC000192161325 464878500 /nfs/dbraw/zinc/87/85/00/464878500.db2.gz JXTWNVYPEPRQOR-KRWDZBQOSA-N 0 3 334.508 2.012 40 0 EEABHN COC[C@@]1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000252515643 464977683 /nfs/dbraw/zinc/97/76/83/464977683.db2.gz MJFGSCNYKZIVNU-KZNAEPCWSA-N 0 3 349.427 2.357 40 0 EEABHN COC(=O)[C@H]1CC[C@H](C(=O)N[C@H]2CN(C)C[C@@H]2c2ccccc2)CC1 ZINC000253431606 465014433 /nfs/dbraw/zinc/01/44/33/465014433.db2.gz HRJSAWHXWSCSBC-TVFCKZIOSA-N 0 3 344.455 2.180 40 0 EEABHN CN(C)CCN1C(=O)CCC12CCC(NC(=O)OC(C)(C)C)CC2 ZINC000306127249 466488765 /nfs/dbraw/zinc/48/87/65/466488765.db2.gz FTCAIOFNZLRXPA-UHFFFAOYSA-N 0 3 339.480 2.377 40 0 EEABHN Cc1nnc2n1C1(CCN(Cc3cccc(C)c3)CC1)CN(C)C2 ZINC000306131303 466491172 /nfs/dbraw/zinc/49/11/72/466491172.db2.gz KATFYQPMHRQIAK-UHFFFAOYSA-N 0 3 325.460 2.332 40 0 EEABHN CCN(CC)CCCN(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000575422400 468143936 /nfs/dbraw/zinc/14/39/36/468143936.db2.gz VNUKNOGXTKDKFV-GOSISDBHSA-N 0 3 338.517 2.408 40 0 EEABHN O=C(c1ccc([O-])cc1)N1CCC2(CO[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000585105429 468972326 /nfs/dbraw/zinc/97/23/26/468972326.db2.gz WKPFQZODVNZQHK-SFHVURJKSA-N 0 3 344.455 2.499 40 0 EEABHN CC(=O)N1CCC(N2CCC[C@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585269301 468997531 /nfs/dbraw/zinc/99/75/31/468997531.db2.gz OLKPJLOMEFXBCH-HXUWFJFHSA-N 0 3 346.471 2.212 40 0 EEABHN Cc1ccccc1OC[C@]1(O)COCCN(CC2(O)CCCCC2)C1 ZINC000585276316 469000611 /nfs/dbraw/zinc/00/06/11/469000611.db2.gz GETMBWDNPAEMSL-HXUWFJFHSA-N 0 3 349.471 2.132 40 0 EEABHN CN(C)CCOc1ccc(NC(=O)Cc2cncnc2)cc1Cl ZINC000225804264 535909362 /nfs/dbraw/zinc/90/93/62/535909362.db2.gz RDZMBAWWEWNOMF-UHFFFAOYSA-N 0 3 334.807 2.252 40 0 EEABHN O=C(Cc1cccc(F)c1)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019293733 202002556 /nfs/dbraw/zinc/00/25/56/202002556.db2.gz VVNUOIVUBQXHFA-KRWDZBQOSA-N 0 3 340.402 2.168 40 0 EEABHN Cc1noc(C)c1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019580052 202013390 /nfs/dbraw/zinc/01/33/90/202013390.db2.gz ICUZXIVZUWHNHH-OAHLLOKOSA-N 0 3 341.415 2.047 40 0 EEABHN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(Cc2ccnc(N)c2)C1 ZINC000193443160 240165730 /nfs/dbraw/zinc/16/57/30/240165730.db2.gz OOMJFOXJNODLGH-DLBZAZTESA-N 0 3 325.412 2.443 40 0 EEABHN Cc1cc(CCC(=O)Nc2nncs2)nc(C2CCN(C)CC2)n1 ZINC000072366859 203207404 /nfs/dbraw/zinc/20/74/04/203207404.db2.gz PVFMQNBBGHGTMV-UHFFFAOYSA-N 0 3 346.460 2.017 40 0 EEABHN CNc1cc(C)nc([C@@H]2CCN(S(=O)(=O)c3cccnc3)C2)c1 ZINC000257332765 244553500 /nfs/dbraw/zinc/55/35/00/244553500.db2.gz XYODFDNJZKPYPI-CYBMUJFWSA-N 0 3 332.429 2.005 40 0 EEABHN Cc1ncsc1CN1CC[C@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000108525810 204266109 /nfs/dbraw/zinc/26/61/09/204266109.db2.gz ORQSWEPQYPTQAJ-CRAIPNDOSA-N 0 3 349.500 2.303 40 0 EEABHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)Nc1cccc(Cl)c1F ZINC000134063047 205391177 /nfs/dbraw/zinc/39/11/77/205391177.db2.gz UYIYYHTUMMBTCY-NSHDSACASA-N 0 3 341.814 2.218 40 0 EEABHN CC(C)n1cc([C@@H](C)NC[C@@]2(N3CCOCC3)CCSC2)cn1 ZINC000095420909 218362313 /nfs/dbraw/zinc/36/23/13/218362313.db2.gz CRKLJBJPKDTDQI-WBVHZDCISA-N 0 3 338.521 2.323 40 0 EEABHN O=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1ccccc1F)CC2 ZINC000019349416 285195766 /nfs/dbraw/zinc/19/57/66/285195766.db2.gz GBYPUJUUHJWJNZ-UHFFFAOYSA-N 0 3 342.418 2.110 40 0 EEABHN CN(C)C[C@H]1CN(C(=O)CC2Cc3ccccc3C2)Cc2cncn21 ZINC000248067727 276804352 /nfs/dbraw/zinc/80/43/52/276804352.db2.gz AFTIHXXEKSTLRC-IBGZPJMESA-N 0 3 338.455 2.133 40 0 EEABHN COc1ccccc1O[C@H](C)CNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000074822713 462639198 /nfs/dbraw/zinc/63/91/98/462639198.db2.gz CCBZXXSGFMMHIB-HUUCEWRRSA-N 0 3 335.448 2.198 40 0 EEABHN COc1cccc(NCc2n[nH]c([C@H](N)c3cccc(OC)c3)n2)c1 ZINC000095533553 463107834 /nfs/dbraw/zinc/10/78/34/463107834.db2.gz ODTVUUCYTCKZKE-QGZVFWFLSA-N 0 3 339.399 2.482 40 0 EEABHN COc1ccccc1CN1C[C@H]2OCC[C@H]2[C@H](C(=O)N2CCCC2)C1 ZINC000096038872 463144209 /nfs/dbraw/zinc/14/42/09/463144209.db2.gz YLKBXNCLXXOIAT-YQVWRLOYSA-N 0 3 344.455 2.155 40 0 EEABHN CN1CCN([C@@H]2COC3(C2)CCN(Cc2cccs2)CC3)CC1 ZINC000096048839 463152800 /nfs/dbraw/zinc/15/28/00/463152800.db2.gz ONPNBMVRPWPYMW-INIZCTEOSA-N 0 3 335.517 2.119 40 0 EEABHN CN(Cc1ccco1)Cc1cnc2n1CCN(C[C@@H]1CCOC1)CC2 ZINC000096197093 463203574 /nfs/dbraw/zinc/20/35/74/463203574.db2.gz CFXPEONPRURWGL-INIZCTEOSA-N 0 3 344.459 2.003 40 0 EEABHN Cc1cc(CN2CCC3(C[C@H](c4cnn(C)c4)C(=O)N3)CC2)oc1C ZINC000096199525 463204309 /nfs/dbraw/zinc/20/43/09/463204309.db2.gz HMJYTZCSBJDKEN-QGZVFWFLSA-N 0 3 342.443 2.268 40 0 EEABHN Cc1ccc(CN2CC[C@H]3[C@@H](CC(=O)NCC4CC4)OC[C@H]3C2)o1 ZINC000096207546 463209908 /nfs/dbraw/zinc/20/99/08/463209908.db2.gz UMQAJJREIMWKKJ-KBAYOESNSA-N 0 3 332.444 2.341 40 0 EEABHN Fc1ccc(CN2CC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)cc1 ZINC000096219393 463216206 /nfs/dbraw/zinc/21/62/06/463216206.db2.gz BIWIINKJSKJOIO-WMZOPIPTSA-N 0 3 328.391 2.461 40 0 EEABHN O=C(Nc1ccn(Cc2ccccn2)n1)NC1CCN(C2CC2)CC1 ZINC000096411854 463244828 /nfs/dbraw/zinc/24/48/28/463244828.db2.gz GCGRHTXAGYAYPF-UHFFFAOYSA-N 0 3 340.431 2.075 40 0 EEABHN CC[C@@](C)(NC(=O)Nc1ccn(CCN(C)C)n1)c1nccs1 ZINC000096435369 463263034 /nfs/dbraw/zinc/26/30/34/463263034.db2.gz SDUXGHIJOFGBFF-OAHLLOKOSA-N 0 3 336.465 2.348 40 0 EEABHN Cc1csc(CNC(=O)CCN2CCN(c3ccccc3)CC2)n1 ZINC000096444599 463269916 /nfs/dbraw/zinc/26/99/16/463269916.db2.gz ATZCBNKHQKHXAN-UHFFFAOYSA-N 0 3 344.484 2.280 40 0 EEABHN CN(Cc1ccccc1)CC(C)(C)NC(=O)Nc1cccn(C)c1=O ZINC000096484127 463282846 /nfs/dbraw/zinc/28/28/46/463282846.db2.gz RRZJZOABPAHHHQ-UHFFFAOYSA-N 0 3 342.443 2.417 40 0 EEABHN Cc1ncc(CNC[C@H](c2cnn(C)c2)N(C)C)n1-c1ccccc1 ZINC000084044167 463574327 /nfs/dbraw/zinc/57/43/27/463574327.db2.gz NNKSBDCVHCKLDL-LJQANCHMSA-N 0 3 338.459 2.307 40 0 EEABHN C[C@H](Sc1nc[nH]n1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000073577006 463627650 /nfs/dbraw/zinc/62/76/50/463627650.db2.gz QIKPASOTHKYEAD-ZDUSSCGKSA-N 0 3 345.472 2.066 40 0 EEABHN CNC(=O)c1cnn2c1nccc2[C@H]1CCN(Cc2ccccc2)C1 ZINC000257341180 463785579 /nfs/dbraw/zinc/78/55/79/463785579.db2.gz ZJDJHTALXSWKJL-HNNXBMFYSA-N 0 3 335.411 2.078 40 0 EEABHN CN(C[C@H]1COc2ccccc2O1)C(=O)C[C@@H](N)c1ccccc1 ZINC000194279544 463825739 /nfs/dbraw/zinc/82/57/39/463825739.db2.gz RSMTULJTQYOKQU-JKSUJKDBSA-N 0 3 326.396 2.375 40 0 EEABHN COCCN1CCC[C@H](c2cncc(-c3c(C)nn(C)c3C)n2)C1 ZINC000585180230 468995156 /nfs/dbraw/zinc/99/51/56/468995156.db2.gz ZLBGGHLOPRUADH-HNNXBMFYSA-N 0 3 329.448 2.320 40 0 EEABHN CN1CCC(c2nccnc2CNC(=O)Cc2cccs2)CC1 ZINC000257258597 536345849 /nfs/dbraw/zinc/34/58/49/536345849.db2.gz KUSFLGKIMXJNNU-UHFFFAOYSA-N 0 3 330.457 2.206 40 0 EEABHN CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCN1CCN(C)CC1 ZINC000038753201 213223085 /nfs/dbraw/zinc/22/30/85/213223085.db2.gz CSQRTHITOWWMRY-SFHVURJKSA-N 0 3 347.503 2.215 40 0 EEABHN C[C@@]1(O)CCCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000189798269 237263649 /nfs/dbraw/zinc/26/36/49/237263649.db2.gz JNCGAOVNWGQTDH-SJLPKXTDSA-N 0 3 338.398 2.303 40 0 EEABHN CN(C)c1nccnc1C1CCN(C(=O)[C@@]2(C)CCCCN2C)CC1 ZINC000072367348 216174552 /nfs/dbraw/zinc/17/45/52/216174552.db2.gz ONDVNPOTKFFQLU-LJQANCHMSA-N 0 3 345.491 2.123 40 0 EEABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@@]2(CN)CO)cc1 ZINC000218506043 241329163 /nfs/dbraw/zinc/32/91/63/241329163.db2.gz CCADMWIVQDUJHT-RCCFBDPRSA-N 0 3 349.427 2.011 40 0 EEABHN COc1ccc(OC)c([C@@H](C)NC(=O)NCC2=CCN(C)CC2)c1 ZINC000242273640 243014460 /nfs/dbraw/zinc/01/44/60/243014460.db2.gz YEPUWLPAQNSFRW-CYBMUJFWSA-N 0 3 333.432 2.326 40 0 EEABHN Cc1cccc(OCCNC(=O)C(C)S(=O)(=O)C2CCCC2)c1 ZINC000076585304 216794848 /nfs/dbraw/zinc/79/48/48/216794848.db2.gz XOMHXXSMXARSKJ-AWEZNQCLSA-N 0 3 339.457 2.236 40 0 EEABHN Cc1ccc(CC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)cc1 ZINC000019209850 212004687 /nfs/dbraw/zinc/00/46/87/212004687.db2.gz CDEMWVMNBYPZGG-GOSISDBHSA-N 0 3 336.439 2.337 40 0 EEABHN CCN1CCN(CCC(=O)N[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000079336406 217211669 /nfs/dbraw/zinc/21/16/69/217211669.db2.gz JZKUJQUMOPNVAX-ZDUSSCGKSA-N 0 3 325.403 2.170 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000079428185 217223205 /nfs/dbraw/zinc/22/32/05/217223205.db2.gz UTMGZWNCSDZZBZ-IRXDYDNUSA-N 0 3 347.459 2.135 40 0 EEABHN COc1ccc2cc(C)c3nn(CCN4CCCCC4)c(=O)n3c2c1 ZINC000012181898 211311660 /nfs/dbraw/zinc/31/16/60/211311660.db2.gz HXZYQAUKIMJAOZ-UHFFFAOYSA-N 0 3 340.427 2.452 40 0 EEABHN Cc1ncccc1CN1CCC(C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000091921825 218089218 /nfs/dbraw/zinc/08/92/18/218089218.db2.gz VDHRHOKJLANSSK-GASCZTMLSA-N 0 3 331.460 2.238 40 0 EEABHN CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)C2(CN)CN)cc1 ZINC000218409284 276691665 /nfs/dbraw/zinc/69/16/65/276691665.db2.gz CLHGLAFITPAZDJ-ZWKOTPCHSA-N 0 3 344.480 2.093 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CC[C@H](N(C(=O)OC(C)(C)C)C(C)C)C1 ZINC000079410227 280273252 /nfs/dbraw/zinc/27/32/52/280273252.db2.gz ZPTSIIKYTZWYHO-KBPBESRZSA-N 0 3 327.469 2.216 40 0 EEABHN CN(C)CC1(CN(C)C)COc2ccc(Br)cc2C1=O ZINC000034870565 289085126 /nfs/dbraw/zinc/08/51/26/289085126.db2.gz WFJQTRRFAAIGOW-UHFFFAOYSA-N 0 3 341.249 2.134 40 0 EEABHN CN1C[C@@H](C(=O)NC[C@H](c2ccccc2)N2CCCCCC2)CC1=O ZINC000019587379 290265541 /nfs/dbraw/zinc/26/55/41/290265541.db2.gz LZFADVSRVPEBMD-ZWKOTPCHSA-N 0 3 343.471 2.198 40 0 EEABHN C[C@H]1C[C@@H](NC(=O)c2cc(O)cc(O)c2)CN1Cc1ccccc1 ZINC000152803642 462584259 /nfs/dbraw/zinc/58/42/59/462584259.db2.gz PIQCNMIKDRFIGQ-XJKSGUPXSA-N 0 3 326.396 2.491 40 0 EEABHN O[C@@H](COCc1ccc2c(c1)OCO2)CN1CCc2ccccc2C1 ZINC000002686964 462599690 /nfs/dbraw/zinc/59/96/90/462599690.db2.gz SUGUDUBOLJNOHS-GOSISDBHSA-N 0 3 341.407 2.351 40 0 EEABHN O=C(Nc1ccc(CCN2CCC(O)CC2)cc1)c1ccncc1F ZINC000075415433 462717176 /nfs/dbraw/zinc/71/71/76/462717176.db2.gz ZECSPUXWJTYKNL-UHFFFAOYSA-N 0 3 343.402 2.472 40 0 EEABHN C[C@@H](CNC(=O)Nc1cccc(Cl)c1F)CN1CCN(C)CC1 ZINC000076332164 462842596 /nfs/dbraw/zinc/84/25/96/462842596.db2.gz MKNNZLUICBRVHM-LBPRGKRZSA-N 0 3 342.846 2.484 40 0 EEABHN O=C1CCC2(CCN(c3ccccn3)CC2)N1CCN1CCCC1 ZINC000096075411 463168742 /nfs/dbraw/zinc/16/87/42/463168742.db2.gz ZLDBTCXAMONNAD-UHFFFAOYSA-N 0 3 328.460 2.139 40 0 EEABHN CC(C)CN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(C)[C@H]2CC1 ZINC000096091339 463170434 /nfs/dbraw/zinc/17/04/34/463170434.db2.gz CFLCEDPKJGPAEM-GJZGRUSLSA-N 0 3 338.473 2.189 40 0 EEABHN Cc1nc(CN2CCO[C@H]3CN(C4CCC4)CC[C@H]3C2=O)cs1 ZINC000096107106 463175349 /nfs/dbraw/zinc/17/53/49/463175349.db2.gz UGWAZIMWBINJJC-CVEARBPZSA-N 0 3 335.473 2.053 40 0 EEABHN CO[C@@H]1CCN(Cc2ccoc2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096108573 463177515 /nfs/dbraw/zinc/17/75/15/463177515.db2.gz GWEJNTFNDDZFHR-IPMKNSEASA-N 0 3 327.428 2.396 40 0 EEABHN CO[C@H]1CCN(Cc2cccnc2)[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096109492 463178591 /nfs/dbraw/zinc/17/85/91/463178591.db2.gz VPJABXFBGMTNDJ-OTWHNJEPSA-N 0 3 327.428 2.396 40 0 EEABHN Cn1cc(CN2CCC3(CCN(C(=O)c4cscn4)C3)CC2)cn1 ZINC000096157478 463189398 /nfs/dbraw/zinc/18/93/98/463189398.db2.gz MPZYCBRVJXOELX-UHFFFAOYSA-N 0 3 345.472 2.005 40 0 EEABHN COc1cccc(CN2CCOC3(CCN([C@H]4CCOC4)CC3)C2)c1 ZINC000096158876 463191213 /nfs/dbraw/zinc/19/12/13/463191213.db2.gz MCEVQHPLODVETR-SFHVURJKSA-N 0 3 346.471 2.151 40 0 EEABHN CC(=O)N1[C@@H](Cn2cccn2)C[C@@H]2CN(Cc3ccsc3)CC[C@@H]21 ZINC000096185694 463197849 /nfs/dbraw/zinc/19/78/49/463197849.db2.gz NUHNOLYUWFTJFA-KURKYZTESA-N 0 3 344.484 2.456 40 0 EEABHN Cc1cc(CN2CC[C@@H]3[C@H](CNC(=O)N(C)C)OC[C@@H]3C2)oc1C ZINC000096187311 463198499 /nfs/dbraw/zinc/19/84/99/463198499.db2.gz CXWWBELTNRTHTI-XIRDDKMYSA-N 0 3 335.448 2.005 40 0 EEABHN Cc1cc(CN2CCC3(C[C@@H](c4cnn(C)c4)C(=O)N3)CC2)oc1C ZINC000096199526 463204574 /nfs/dbraw/zinc/20/45/74/463204574.db2.gz HMJYTZCSBJDKEN-KRWDZBQOSA-N 0 3 342.443 2.268 40 0 EEABHN Cc1cnc(C(=O)N2CC3(C2)CCN(Cc2ccsc2)C3)cn1 ZINC000096202750 463208745 /nfs/dbraw/zinc/20/87/45/463208745.db2.gz NEDXZXXJNYOTJT-UHFFFAOYSA-N 0 3 328.441 2.195 40 0 EEABHN COC[C@H]1C(=O)N(CC2CC2)CC12CCN(Cc1ccco1)CC2 ZINC000096205803 463209091 /nfs/dbraw/zinc/20/90/91/463209091.db2.gz DNAZISSACUXRGU-KRWDZBQOSA-N 0 3 332.444 2.377 40 0 EEABHN Cc1nn(C)cc1C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000096433130 463261074 /nfs/dbraw/zinc/26/10/74/463261074.db2.gz XQROOVDNTDAEDI-HNNXBMFYSA-N 0 3 326.444 2.465 40 0 EEABHN CCOc1ccccc1OCCN1CCN([C@H]2CCCN(C)C2)CC1 ZINC000096443355 463268727 /nfs/dbraw/zinc/26/87/27/463268727.db2.gz LPROCNOTXGUYLM-SFHVURJKSA-N 0 3 347.503 2.176 40 0 EEABHN Cc1ccc(CNC(=O)CCN2CCN(c3ccccc3)CC2)cn1 ZINC000096444609 463269632 /nfs/dbraw/zinc/26/96/32/463269632.db2.gz WRBYAUGRFKQTPC-UHFFFAOYSA-N 0 3 338.455 2.219 40 0 EEABHN C[C@@H]1OCC[C@H]1N[C@@H]1CCN(c2ccccc2OC(F)F)C1=O ZINC000096490292 463286227 /nfs/dbraw/zinc/28/62/27/463286227.db2.gz RADLNWQEIGAOFU-QJPTWQEYSA-N 0 3 326.343 2.160 40 0 EEABHN Cc1nn(C)cc1CN1CCC2(CC(NC(=O)c3ccco3)C2)C1 ZINC000108526909 463610527 /nfs/dbraw/zinc/61/05/27/463610527.db2.gz BVCMSGPLLYQOBB-UHFFFAOYSA-N 0 3 328.416 2.106 40 0 EEABHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N(CCC(F)(F)F)C1CCC1 ZINC000084637734 463619132 /nfs/dbraw/zinc/61/91/32/463619132.db2.gz GGXYGBCAIBIQKQ-KGLIPLIRSA-N 0 3 349.397 2.366 40 0 EEABHN COc1cccc(C(=O)N2CCO[C@@H](c3cc(N)cc(C)n3)C2)c1 ZINC000257339222 463784254 /nfs/dbraw/zinc/78/42/54/463784254.db2.gz ZATPOTLMKIFMQT-QGZVFWFLSA-N 0 3 327.384 2.195 40 0 EEABHN CCOC(=O)[C@@]1(C(C)C)CCN(Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000194876544 463947321 /nfs/dbraw/zinc/94/73/21/463947321.db2.gz ZFZAFIOQOPRVIN-SFHVURJKSA-N 0 3 346.431 2.486 40 0 EEABHN COC(=O)[C@@H]1C[C@H](O)[C@@H](N2CCC[C@@H](c3nc4ccccc4o3)C2)C1 ZINC000195532692 464073737 /nfs/dbraw/zinc/07/37/37/464073737.db2.gz ZINDOYVMJUWDEC-VRKREXBASA-N 0 3 344.411 2.320 40 0 EEABHN CC(C(=O)N1CCC[C@]1(c1ccccc1)C(F)(F)F)S(C)(=O)=O ZINC000195570860 464078496 /nfs/dbraw/zinc/07/84/96/464078496.db2.gz LGLXJHLNSRGHSE-FZMZJTMJSA-N 0 3 349.374 2.500 40 0 EEABHN CN(C)CCNC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000189102159 464434126 /nfs/dbraw/zinc/43/41/26/464434126.db2.gz ZVTYUWJWSDSZTG-UHFFFAOYSA-N 0 3 341.858 2.369 40 0 EEABHN CCN1CCCC[C@H]1CNC(=O)c1ccccc1S[C@@H](C)C(N)=O ZINC000240555634 464447962 /nfs/dbraw/zinc/44/79/62/464447962.db2.gz GWUFHWLILHWLEH-KBPBESRZSA-N 0 3 349.500 2.257 40 0 EEABHN O=C(CC1OCCCO1)NCC1(N2CCSCC2)CCCCC1 ZINC000241720883 464454986 /nfs/dbraw/zinc/45/49/86/464454986.db2.gz QTCJXQBLHLZHRL-UHFFFAOYSA-N 0 3 342.505 2.007 40 0 EEABHN CCOc1cc(CN2CC[C@@]3(C2)COCc2cncnc23)ccc1O ZINC000253385038 464998151 /nfs/dbraw/zinc/99/81/51/464998151.db2.gz RAHVVPCBDIZTAU-LJQANCHMSA-N 0 3 341.411 2.255 40 0 EEABHN Cc1nc2ccc(N[C@@H]3CCN(Cc4ccccc4)[C@H](C)C3)nn2n1 ZINC000329398464 465321323 /nfs/dbraw/zinc/32/13/23/465321323.db2.gz VGSAHPSZIJIVLY-RHSMWYFYSA-N 0 3 336.443 2.898 40 0 EEABHN Cn1ncnc1CN[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000390834792 467414758 /nfs/dbraw/zinc/41/47/58/467414758.db2.gz ZBTUFMWCRRVZPY-QGZVFWFLSA-N 0 3 327.476 2.378 40 0 EEABHN CN1C(=O)c2cccnc2O[C@H]2CN(C3CCC(F)(F)CC3)C[C@H]21 ZINC000514290249 467942062 /nfs/dbraw/zinc/94/20/62/467942062.db2.gz WSZPDSKNIYKTDN-KGLIPLIRSA-N 0 3 337.370 2.177 40 0 biogenic,in-vitro EEABHN CC(=O)NC1CCN([C@H]2CCC[C@@H](Oc3ccccc3C)[C@@H]2O)CC1 ZINC000585290506 469010708 /nfs/dbraw/zinc/01/07/08/469010708.db2.gz XKQCLGHAGQBHHB-DFQSSKMNSA-N 0 3 346.471 2.256 40 0 EEABHN Cc1nc[nH]c1CN1CCC2(C[C@@H](OCc3cccnc3)CO2)CC1 ZINC000096073163 527211945 /nfs/dbraw/zinc/21/19/45/527211945.db2.gz ZBTBAMNJVHAGCJ-QGZVFWFLSA-N 0 3 342.443 2.453 40 0 EEABHN c1cc(CNCCc2nnc3n2CCCCC3)c2c(c1)OCCO2 ZINC000067698316 215188862 /nfs/dbraw/zinc/18/88/62/215188862.db2.gz RCRHNCSTKFWKNR-UHFFFAOYSA-N 0 3 328.416 2.108 40 0 EEABHN COc1cccc(Oc2nccnc2C2CCN(CCO)CC2)c1 ZINC000072361622 216166901 /nfs/dbraw/zinc/16/69/01/216166901.db2.gz XUYPFAGKLCYBFF-UHFFFAOYSA-N 0 3 329.400 2.449 40 0 EEABHN Cc1ccc(N2CCCC2=O)c(C(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000073476736 216389250 /nfs/dbraw/zinc/38/92/50/216389250.db2.gz LTGAWPPBRQHKHS-MRXNPFEDSA-N 0 3 341.455 2.336 40 0 EEABHN CCOC(=O)c1sc(N2CCNCC2)nc1-c1ccc(OC)cc1 ZINC000021986853 212268514 /nfs/dbraw/zinc/26/85/14/212268514.db2.gz FWKZWVXTODLYMF-UHFFFAOYSA-N 0 3 347.440 2.405 40 0 EEABHN CNC(=O)c1cc(C[C@@H]2CCCN(Cc3cccnc3)CC2)ncn1 ZINC000257238612 244236825 /nfs/dbraw/zinc/23/68/25/244236825.db2.gz HLUQIVIABRXTPI-OAHLLOKOSA-N 0 3 339.443 2.076 40 0 EEABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cccn1-c1ccc(F)cc1 ZINC000019575975 212045114 /nfs/dbraw/zinc/04/51/14/212045114.db2.gz YUCPVUGLAQGFPN-GDIGMMSISA-N 0 3 329.419 2.256 40 0 EEABHN CC(C)N(C(=O)[C@H](C)N)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079391315 217219113 /nfs/dbraw/zinc/21/91/13/217219113.db2.gz AQSVDVTZBHXIFJ-IHRRRGAJSA-N 0 3 327.469 2.407 40 0 EEABHN CC(C)[C@H](N)C(=O)N(C(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391451 217218736 /nfs/dbraw/zinc/21/87/36/217218736.db2.gz NBTXKAYNSBMSHB-KBPBESRZSA-N 0 3 327.469 2.216 40 0 EEABHN COc1ccc(Nc2nc(CC(=O)N(C)CCN(C)C)cs2)cc1 ZINC000012346219 211353760 /nfs/dbraw/zinc/35/37/60/211353760.db2.gz VCBYIRDUUDCOTF-UHFFFAOYSA-N 0 3 348.472 2.458 40 0 EEABHN CC[C@H](NC(=O)C(C)S(C)(=O)=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000095396400 218327838 /nfs/dbraw/zinc/32/78/38/218327838.db2.gz LXNAXXBGOBJLIM-RISCZKNCSA-N 0 3 339.457 2.401 40 0 EEABHN CC(=O)Nc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000095438995 218383320 /nfs/dbraw/zinc/38/33/20/218383320.db2.gz KMQPRGIYRYIJCF-GOSISDBHSA-N 0 3 340.423 2.443 40 0 EEABHN C[C@@H](CNC(=O)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)N(C)C1CC1 ZINC000163142185 463566534 /nfs/dbraw/zinc/56/65/34/463566534.db2.gz IVXXMWAJYCNGAG-GXTWGEPZSA-N 0 3 346.479 2.054 40 0 EEABHN CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1N1CCNCC1 ZINC000064874628 462726194 /nfs/dbraw/zinc/72/61/94/462726194.db2.gz XEPYRELVJANWAL-UHFFFAOYSA-N 0 3 349.818 2.483 40 0 EEABHN CN(C)C(=O)CN1CCCN(CCCc2ccc(Cl)cc2)CC1 ZINC000077264294 462960674 /nfs/dbraw/zinc/96/06/74/462960674.db2.gz SRJZBGPZDPDEIJ-UHFFFAOYSA-N 0 3 337.895 2.369 40 0 EEABHN CN(Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1cnn(C)c1)CC2 ZINC000096048005 463152192 /nfs/dbraw/zinc/15/21/92/463152192.db2.gz PFCMQPDUKVQWFP-QGZVFWFLSA-N 0 3 344.459 2.269 40 0 EEABHN Cc1nc(CN2C[C@@]3(CCN(Cc4ccncc4)C3)CC2=O)cs1 ZINC000096050918 463154294 /nfs/dbraw/zinc/15/42/94/463154294.db2.gz UJXOBKKABLDONA-SFHVURJKSA-N 0 3 342.468 2.471 40 0 EEABHN CCc1ccc(CN2C[C@@H]3COC[C@@H](CC(=O)N4CCCO4)[C@@H]3C2)o1 ZINC000096065305 463163523 /nfs/dbraw/zinc/16/35/23/463163523.db2.gz IQJRPKJITRISKP-RKVPGOIHSA-N 0 3 348.443 2.090 40 0 EEABHN O=C(CCc1cccnc1)N1CC2(C1)CCN(Cc1ccc[nH]1)CC2 ZINC000096071007 463166013 /nfs/dbraw/zinc/16/60/13/463166013.db2.gz CFHCOZHOZBUJRJ-UHFFFAOYSA-N 0 3 338.455 2.467 40 0 EEABHN O=C(c1ccoc1)N1CC[C@@H]2O[C@@H](COCCN3CCCC3)CC[C@@H]21 ZINC000096186705 463199231 /nfs/dbraw/zinc/19/92/31/463199231.db2.gz QTQNNIHYBUCMJK-SQNIBIBYSA-N 0 3 348.443 2.154 40 0 EEABHN CC(C)N(C[C@H]1CCCCN1C(=O)[C@H](C)N)C(=O)OC(C)(C)C ZINC000079409807 463212281 /nfs/dbraw/zinc/21/22/81/463212281.db2.gz AYPXUPJIKRBGAF-UONOGXRCSA-N 0 3 327.469 2.360 40 0 EEABHN Cc1nc(CN2CC[C@@]3(CCCN(C4CCOCC4)C3)C2=O)cs1 ZINC000096224375 463219164 /nfs/dbraw/zinc/21/91/64/463219164.db2.gz LCXVINYJABASCH-GOSISDBHSA-N 0 3 349.500 2.445 40 0 EEABHN CC(C)c1noc(CCNC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)n1 ZINC000069402151 463239352 /nfs/dbraw/zinc/23/93/52/463239352.db2.gz PACXVKPSLMSFPB-KGLIPLIRSA-N 0 3 337.468 2.155 40 0 EEABHN CC[C@H](NC(=O)N[C@H]1CCN(CCOC)C1)c1cc(F)ccc1F ZINC000096419938 463252051 /nfs/dbraw/zinc/25/20/51/463252051.db2.gz JHSRKXVLINJOAI-BBRMVZONSA-N 0 3 341.402 2.436 40 0 EEABHN Brc1cncc(N2CCC(CN3CCOCC3)CC2)c1 ZINC000096453509 463274580 /nfs/dbraw/zinc/27/45/80/463274580.db2.gz KZNDOYSBXXBJAW-UHFFFAOYSA-N 0 3 340.265 2.393 40 0 EEABHN COC(=O)[C@H]1CCN(Cc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000096489875 463286792 /nfs/dbraw/zinc/28/67/92/463286792.db2.gz KXKQICJGNUOFOG-UXLLHSPISA-N 0 3 332.444 2.295 40 0 EEABHN Cc1cccc(CN2CC[C@@]3(CCC[C@H]3C(=O)N3CCOCC3)C2)n1 ZINC000108530059 463609911 /nfs/dbraw/zinc/60/99/11/463609911.db2.gz ORDOJSWLOSDEPK-ICSRJNTNSA-N 0 3 343.471 2.241 40 0 EEABHN CC(C)C[C@H](C)CN1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000225626931 464177174 /nfs/dbraw/zinc/17/71/74/464177174.db2.gz XTTCQLAXNWLJRM-RBUKOAKNSA-N 0 3 325.541 2.395 40 0 EEABHN O=C(COC1CCCC1)N1Cc2ccnn2[C@@H](CN2CCCCC2)C1 ZINC000247740280 464705301 /nfs/dbraw/zinc/70/53/01/464705301.db2.gz NPHAOHYAOORAOF-KRWDZBQOSA-N 0 3 346.475 2.212 40 0 EEABHN CC(C(=O)N1CCc2ccccc2[C@@]1(C)C(F)(F)F)S(C)(=O)=O ZINC000252499664 464970532 /nfs/dbraw/zinc/97/05/32/464970532.db2.gz SDSLEZAUDWMNPN-YGRLFVJLSA-N 0 3 349.374 2.282 40 0 EEABHN O=C(NCCN1CCCC1)[C@H]1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000306137766 466493920 /nfs/dbraw/zinc/49/39/20/466493920.db2.gz RFNYXPGVZXDNOZ-INIZCTEOSA-N 0 3 338.455 2.394 40 0 EEABHN OC[C@@H]1[C@H](O)[C@@H](c2ccccc2)CN1Cc1ccc(OCCF)cc1 ZINC000585292789 469011638 /nfs/dbraw/zinc/01/16/38/469011638.db2.gz OAULJIZCIVDHDW-VAMGGRTRSA-N 0 3 345.414 2.356 40 0 EEABHN C[C@@H]1C[C@@H](C)CN(CCCNC2=NS(=O)(=O)c3ccccc32)C1 ZINC000040149915 213273673 /nfs/dbraw/zinc/27/36/73/213273673.db2.gz OEENZCBQMLGFFB-ZIAGYGMSSA-N 0 3 335.473 2.093 40 0 EEABHN Cc1cc(N)cc([C@@H]2CN(C(=O)COc3cccc(F)c3)CCO2)n1 ZINC000257234376 244223527 /nfs/dbraw/zinc/22/35/27/244223527.db2.gz GTGKAROLISJEEB-KRWDZBQOSA-N 0 3 345.374 2.090 40 0 EEABHN c1ccc2c(CN3CCC[C@@H](c4nnc5n4CCNC5)C3)ccnc2c1 ZINC000019711030 212057645 /nfs/dbraw/zinc/05/76/45/212057645.db2.gz BNPHANHQQVKCIP-MRXNPFEDSA-N 0 3 348.454 2.309 40 0 EEABHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1ccc(N2CCCC2)nc1 ZINC000078550200 284196669 /nfs/dbraw/zinc/19/66/69/284196669.db2.gz FFLXPRWTUNDYGS-INIZCTEOSA-N 0 3 328.460 2.429 40 0 EEABHN CCCC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CCN(C(C)C)C3)CC1 ZINC000019501167 212033510 /nfs/dbraw/zinc/03/35/10/212033510.db2.gz JBMRJYZHWHBWCO-UHFFFAOYSA-N 0 3 346.475 2.455 40 0 EEABHN CC(C)N(C(=O)[C@H](C)N)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079391313 217219203 /nfs/dbraw/zinc/21/92/03/217219203.db2.gz AQSVDVTZBHXIFJ-MELADBBJSA-N 0 3 327.469 2.407 40 0 EEABHN CC(C)N(C(=O)[C@H](C)N)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079391316 217218175 /nfs/dbraw/zinc/21/81/75/217218175.db2.gz AQSVDVTZBHXIFJ-BFHYXJOUSA-N 0 3 327.469 2.407 40 0 EEABHN CN1CCN(CCCN2CC[C@H](Oc3cccc(Cl)c3)C2)CC1 ZINC000097235630 219002582 /nfs/dbraw/zinc/00/25/82/219002582.db2.gz WIDMVUXUAXBYQQ-SFHVURJKSA-N 0 3 337.895 2.431 40 0 EEABHN CO[C@@H]1COC[C@H]1n1cc(CN[C@H]2CCCC23CCCCC3)nn1 ZINC000333566882 312167130 /nfs/dbraw/zinc/16/71/30/312167130.db2.gz OZJRPXIULGVIOY-ZACQAIPSSA-N 0 3 334.464 2.457 40 0 EEABHN CCN1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(C(C)C)cc1 ZINC000298114772 465306316 /nfs/dbraw/zinc/30/63/16/465306316.db2.gz RKZGPVROISMBRH-KRWDZBQOSA-N 0 3 331.460 2.027 40 0 EEABHN Cc1cc(=O)oc2cc(OCCN(C)CCn3cccn3)ccc12 ZINC000077286265 462963701 /nfs/dbraw/zinc/96/37/01/462963701.db2.gz AWAUNVOVGNFQSS-UHFFFAOYSA-N 0 3 327.384 2.309 40 0 EEABHN Cn1cc(CN2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)cn1 ZINC000096050618 463155371 /nfs/dbraw/zinc/15/53/71/463155371.db2.gz GZMSRKJNWNHFEK-LJQANCHMSA-N 0 3 342.418 2.184 40 0 EEABHN Cc1cccc(CO[C@@H]2C[C@H]3CN(Cc4ccncc4)CCN3C2)n1 ZINC000096055104 463156053 /nfs/dbraw/zinc/15/60/53/463156053.db2.gz VOWBXNOHCFWEGQ-VQTJNVASSA-N 0 3 338.455 2.260 40 0 EEABHN Cc1ccc(CN2CCC[C@@]3(CCCN3S(C)(=O)=O)C2)s1 ZINC000096071555 463165816 /nfs/dbraw/zinc/16/58/16/463165816.db2.gz NLGWZHRNDWNEIQ-OAHLLOKOSA-N 0 3 328.503 2.447 40 0 EEABHN Cn1cc(CN2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)cn1 ZINC000096073166 463167892 /nfs/dbraw/zinc/16/78/92/463167892.db2.gz AACXGOCBDISFTF-SFHVURJKSA-N 0 3 342.443 2.155 40 0 EEABHN Cc1nc(CN2C[C@@H]3CCC[C@@H](OCC(=O)N(C)C)[C@@H]3C2)cs1 ZINC000096081861 463170775 /nfs/dbraw/zinc/17/07/75/463170775.db2.gz LLMPUQBGLBEKHR-NUEKZKHPSA-N 0 3 337.489 2.157 40 0 EEABHN CO[C@H]1CCN(Cc2ccccn2)[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096109491 463178732 /nfs/dbraw/zinc/17/87/32/463178732.db2.gz INYMASLHZMPLKP-OTWHNJEPSA-N 0 3 327.428 2.396 40 0 EEABHN Cc1ccc(CN2C[C@@H]3C[C@H](C(=O)NCC4CC4)N(C)[C@@H]3C2)s1 ZINC000096185739 463198039 /nfs/dbraw/zinc/19/80/39/463198039.db2.gz LALHMPHMGNPNPO-USXIJHARSA-N 0 3 333.501 2.087 40 0 EEABHN CN(Cc1ccco1)Cc1cnc2n1CCN(C1CCOCC1)CC2 ZINC000096197094 463203231 /nfs/dbraw/zinc/20/32/31/463203231.db2.gz ACHUBDMRDMOVOR-UHFFFAOYSA-N 0 3 344.459 2.145 40 0 EEABHN c1coc(CN2CC[C@]3(C2)COCCN(Cc2nccs2)C3)c1 ZINC000096202123 463206976 /nfs/dbraw/zinc/20/69/76/463206976.db2.gz SYOIIOIACXRZLO-QGZVFWFLSA-N 0 3 333.457 2.461 40 0 EEABHN O=C([C@@H]1CCC2(CCN(Cc3cccs3)CC2)O1)N1CCCO1 ZINC000096215549 463214216 /nfs/dbraw/zinc/21/42/16/463214216.db2.gz VHNWIANAYPANGX-HNNXBMFYSA-N 0 3 336.457 2.426 40 0 EEABHN Cc1occc1C(=O)N1CCC[C@]2(CCC(=O)N2CCN(C)C)CC1 ZINC000096217703 463215306 /nfs/dbraw/zinc/21/53/06/463215306.db2.gz WHBKTMGVMZJBPP-IBGZPJMESA-N 0 3 347.459 2.137 40 0 EEABHN COC(=O)c1cccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)c1C ZINC000096403589 463238118 /nfs/dbraw/zinc/23/81/18/463238118.db2.gz JNJTYMFDNXVPLP-CQSZACIVSA-N 0 3 331.416 2.484 40 0 EEABHN CN(C)c1cccc(C(=O)N2CCCN(C3CCOCC3)CC2)c1 ZINC000096415650 463247868 /nfs/dbraw/zinc/24/78/68/463247868.db2.gz JBEAXJBSASIJLH-UHFFFAOYSA-N 0 3 331.460 2.080 40 0 EEABHN CN(C)CCn1ccc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)n1 ZINC000096435366 463263918 /nfs/dbraw/zinc/26/39/18/463263918.db2.gz YXRILKHOKMILTJ-MRXNPFEDSA-N 0 3 343.431 2.050 40 0 EEABHN CN(C)CCn1cc(NC(=O)N[C@@H]2CCc3cc(F)ccc32)cn1 ZINC000096447207 463271362 /nfs/dbraw/zinc/27/13/62/463271362.db2.gz AYXZPELFICOFLK-MRXNPFEDSA-N 0 3 331.395 2.393 40 0 EEABHN CC(=O)N1CCc2cccc(NC(=O)N(C)[C@H]3CCN(C)C[C@@H]3C)c21 ZINC000097228188 463350934 /nfs/dbraw/zinc/35/09/34/463350934.db2.gz ZWXOCUNDQUYIQS-GUYCJALGSA-N 0 3 344.459 2.400 40 0 EEABHN Cc1cccnc1CN1CC[C@@]2(CCC[C@H]2C(=O)N2CCOCC2)C1 ZINC000108533052 463609671 /nfs/dbraw/zinc/60/96/71/463609671.db2.gz IDZFLUCOZYJSLO-PXNSSMCTSA-N 0 3 343.471 2.241 40 0 EEABHN O=C(CN[C@@H](Cc1ccccc1)c1cccs1)N1CCOCC1 ZINC000184974467 463727447 /nfs/dbraw/zinc/72/74/47/463727447.db2.gz NTKQWVSQLGIWHB-INIZCTEOSA-N 0 3 330.453 2.480 40 0 EEABHN COCCN1CCC(CCCc2cnccn2)(C(=O)NC(C)C)CC1 ZINC000257322787 463777559 /nfs/dbraw/zinc/77/75/59/463777559.db2.gz WHJZSAFBYRAYNF-UHFFFAOYSA-N 0 3 348.491 2.053 40 0 EEABHN CN(Cc1cccc(OC(F)F)c1)C(=O)C[C@@H]1CSCCN1 ZINC000195544086 464074353 /nfs/dbraw/zinc/07/43/53/464074353.db2.gz IMJZEANEFMJRGR-GFCCVEGCSA-N 0 3 330.400 2.342 40 0 EEABHN CCOC[C@@]1(CN)[C@H](S(=O)(=O)CC)[C@H]1c1ccc(CC)cc1 ZINC000242548054 464457686 /nfs/dbraw/zinc/45/76/86/464457686.db2.gz LAWYZEKVYYRCQP-BRWVUGGUSA-N 0 3 325.474 2.131 40 0 EEABHN Cc1ccc(CN2CCN3C[C@H](OCc4ccccn4)C[C@H]3C2)o1 ZINC000248061467 464726654 /nfs/dbraw/zinc/72/66/54/464726654.db2.gz DAQCBLTXJHHDTH-PKOBYXMFSA-N 0 3 327.428 2.458 40 0 EEABHN Cc1nc2c(n1C(C)C)CNCC21CCN(c2ncccn2)CC1 ZINC000306123418 466487209 /nfs/dbraw/zinc/48/72/09/466487209.db2.gz AMNQXZHGLGIGJP-UHFFFAOYSA-N 0 3 326.448 2.204 40 0 EEABHN COCc1nnc2n1CCN(Cc1cccc3[nH]ccc31)[C@H](C)C2 ZINC000585097896 468965943 /nfs/dbraw/zinc/96/59/43/468965943.db2.gz OTNOIAJIMBQLDK-CYBMUJFWSA-N 0 3 325.416 2.353 40 0 EEABHN O=C(NC[C@]1(O)CN2CCC1CC2)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000585123709 539980641 /nfs/dbraw/zinc/98/06/41/539980641.db2.gz DECUEPQMPKDYJL-HLIPFELVSA-N 0 3 328.456 2.143 40 0 EEABHN CN(C)c1nccc(C2CCN(C(=O)[C@]3(C)CCCCN3C)CC2)n1 ZINC000072367365 216175321 /nfs/dbraw/zinc/17/53/21/216175321.db2.gz MYPMMFVORHGPRL-IBGZPJMESA-N 0 3 345.491 2.123 40 0 EEABHN COC[C@@]1(CN)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218568722 241333057 /nfs/dbraw/zinc/33/30/57/241333057.db2.gz MJFGSCNYKZIVNU-BZSNNMDCSA-N 0 3 349.427 2.357 40 0 EEABHN Cc1nc2c(c(=O)[nH]1)CCN(C[C@@H](C)Cc1ccc3c(c1)OCO3)C2 ZINC000019576558 212045767 /nfs/dbraw/zinc/04/57/67/212045767.db2.gz NMKNMOLULUPCLH-LBPRGKRZSA-N 0 3 341.411 2.456 40 0 EEABHN NCC(=O)N1CCCC[C@@H]1CN(C(=O)OCc1ccccc1)C1CC1 ZINC000079412596 217221434 /nfs/dbraw/zinc/22/14/34/217221434.db2.gz HSCFMBFRWWORLG-QGZVFWFLSA-N 0 3 345.443 2.127 40 0 EEABHN CC(C)[C@H](N)C(=O)NC[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079393252 217218628 /nfs/dbraw/zinc/21/86/28/217218628.db2.gz JJBYGJZXDAVYHZ-IRXDYDNUSA-N 0 3 347.459 2.277 40 0 EEABHN Cc1ccc(CCNC(=O)CC2(N3CCOCC3)CCCC2)cn1 ZINC000081378447 217389839 /nfs/dbraw/zinc/38/98/39/217389839.db2.gz BFDMTKDHKDLWMO-UHFFFAOYSA-N 0 3 331.460 2.084 40 0 EEABHN CCN1CCC[C@H]1CNC(=O)Nc1c[nH]c2ccc(OC)cc2c1=O ZINC000004907739 210319407 /nfs/dbraw/zinc/31/94/07/210319407.db2.gz MVDWZDBRXFFBCO-LBPRGKRZSA-N 0 3 344.415 2.143 40 0 EEABHN CO[C@H]1CCN(Cc2ccoc2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096109481 274080908 /nfs/dbraw/zinc/08/09/08/274080908.db2.gz XRPQXNNYCSDLQX-OTWHNJEPSA-N 0 3 327.428 2.396 40 0 EEABHN CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N ZINC000079409846 279299614 /nfs/dbraw/zinc/29/96/14/279299614.db2.gz SQQMVVUDDZYMOM-BFHYXJOUSA-N 0 3 327.469 2.407 40 0 EEABHN C[C@H]1CCCC[C@@H]1NCC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000195567053 323515142 /nfs/dbraw/zinc/51/51/42/323515142.db2.gz YEGMZXKKVARGCQ-FZMZJTMJSA-N 0 3 342.436 2.336 40 0 EEABHN COc1ccc(CN2CCC(O)(Cn3ccnc3C)CC2)cc1OC ZINC000019287971 463015381 /nfs/dbraw/zinc/01/53/81/463015381.db2.gz YNEWDSHZSZPLJF-UHFFFAOYSA-N 0 3 345.443 2.236 40 0 EEABHN O=C([C@H]1CCC2(CCN(Cc3ccccn3)CC2)O1)N1CCCC1 ZINC000096061240 463161796 /nfs/dbraw/zinc/16/17/96/463161796.db2.gz HAUJVAOFGBQOLF-QGZVFWFLSA-N 0 3 329.444 2.218 40 0 EEABHN Cc1cc(CN2CCC3(CC2)NC(=O)C[C@H]3c2cnn(C)c2)oc1C ZINC000096199817 463205552 /nfs/dbraw/zinc/20/55/52/463205552.db2.gz DRIGRYFHAPNHPL-KRWDZBQOSA-N 0 3 342.443 2.268 40 0 EEABHN c1cncc(CN2CC[C@@H]3[C@@H](CO[C@H]3Cc3nnc(C4CC4)o3)C2)c1 ZINC000096208219 463212535 /nfs/dbraw/zinc/21/25/35/463212535.db2.gz CPPVLRRTSWOHIL-ZACQAIPSSA-N 0 3 340.427 2.422 40 0 EEABHN O=C(C[C@@H]1CO[C@@H]2CN(Cc3cccs3)C[C@H]12)Nc1cnccn1 ZINC000096218940 463216414 /nfs/dbraw/zinc/21/64/14/463216414.db2.gz LNQGYMJFCJDIHJ-BPLDGKMQSA-N 0 3 344.440 2.014 40 0 EEABHN COc1ccc(CN2C[C@@H]3C(=O)N(Cc4ccncc4)C[C@@H]3C2)cc1 ZINC000096245150 463225983 /nfs/dbraw/zinc/22/59/83/463225983.db2.gz UATOLFGRZJCWOU-HKUYNNGSSA-N 0 3 337.423 2.181 40 0 EEABHN CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cccnc1 ZINC000096433521 463262574 /nfs/dbraw/zinc/26/25/74/463262574.db2.gz XYHGYKZRNOCGGU-QGZVFWFLSA-N 0 3 345.468 2.224 40 0 EEABHN CN1CCN(CCCCNC(=O)N[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000096439068 463266040 /nfs/dbraw/zinc/26/60/40/463266040.db2.gz OEZITJYKMJPKGU-ROUUACIJSA-N 0 3 336.524 2.282 40 0 EEABHN Cc1cc(S(=O)(=O)NC[C@@H](N)c2ccccc2)cnc1Cl ZINC000096483354 463282790 /nfs/dbraw/zinc/28/27/90/463282790.db2.gz VKXZJDLGWMITSN-CYBMUJFWSA-N 0 3 325.821 2.022 40 0 EEABHN Cc1ccccc1C(=O)NC1CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000096483273 463282799 /nfs/dbraw/zinc/28/27/99/463282799.db2.gz JJPVPOBGACSSKI-QGZVFWFLSA-N 0 3 348.487 2.365 40 0 EEABHN C[C@@H]1CCN(C[C@H](O)COc2ccccc2C(F)(F)F)C[C@@H]1O ZINC000096502135 463292340 /nfs/dbraw/zinc/29/23/40/463292340.db2.gz NLHGRPZVYYHGQW-DYEKYZERSA-N 0 3 333.350 2.148 40 0 EEABHN Cn1cncc1CN1CC[C@]2(CCC[C@H]2C(=O)NCc2ccco2)C1 ZINC000108531006 463609564 /nfs/dbraw/zinc/60/95/64/463609564.db2.gz QDTMNCUFNLJUTJ-PKOBYXMFSA-N 0 3 342.443 2.322 40 0 EEABHN CC(C)Oc1ccc([C@@H]2CNCCN2CC(=O)N2CCCC2)cc1 ZINC000257314909 463775210 /nfs/dbraw/zinc/77/52/10/463775210.db2.gz UZCHYIPFZGQLTI-SFHVURJKSA-N 0 3 331.460 2.043 40 0 EEABHN Cc1ccc([C@@H]2[C@H](C)CCCN2C[C@@H](O)CN2C(=O)CCC2=O)cc1 ZINC000195530632 464071579 /nfs/dbraw/zinc/07/15/79/464071579.db2.gz DRYPEEUKLBVCJN-MDYRTPRTSA-N 0 3 344.455 2.278 40 0 EEABHN CN(Cc1cccc(OC(F)F)c1)C(=O)C[C@H]1CSCCN1 ZINC000195544088 464074155 /nfs/dbraw/zinc/07/41/55/464074155.db2.gz IMJZEANEFMJRGR-LBPRGKRZSA-N 0 3 330.400 2.342 40 0 EEABHN COCc1cc(N2CCN(C[C@H]3CCOC3)CC2)nc(C(C)(C)C)n1 ZINC000195544968 464074494 /nfs/dbraw/zinc/07/44/94/464074494.db2.gz YRVRAFATKPBWDC-OAHLLOKOSA-N 0 3 348.491 2.079 40 0 EEABHN COCc1nc2n(n1)C[C@H](N[C@@H]1CCCOc3cc(F)ccc31)CC2 ZINC000182151324 464584606 /nfs/dbraw/zinc/58/46/06/464584606.db2.gz JIMJYIDSMLTCPB-UKRRQHHQSA-N 0 3 346.406 2.382 40 0 EEABHN COC(=O)C[C@H]1CCCN1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000253416354 465004230 /nfs/dbraw/zinc/00/42/30/465004230.db2.gz HPGJXZPFXJUPHU-RTBURBONSA-N 0 3 346.471 2.305 40 0 EEABHN CC(C(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl)S(C)(=O)=O ZINC000330780959 465802021 /nfs/dbraw/zinc/80/20/21/465802021.db2.gz FKJBTWACKOKINF-GHMZBOCLSA-N 0 3 347.839 2.446 40 0 EEABHN Cc1ccc(C(=O)N2CC3(C2)C[C@@H](CO)CN3CC2CC2)cc1F ZINC000585093831 468963399 /nfs/dbraw/zinc/96/33/99/468963399.db2.gz IFKLTZCIMVLGSN-OAHLLOKOSA-N 0 3 332.419 2.053 40 0 EEABHN CC[N@H+](C)C[C@H]1CC2(CO1)CCN(C(=O)c1ccc([O-])cc1)CC2 ZINC000585104625 468972415 /nfs/dbraw/zinc/97/24/15/468972415.db2.gz SBFVJVBFVHAATM-QGZVFWFLSA-N 0 3 332.444 2.355 40 0 EEABHN CC[N@@H+](C)C[C@H]1CC2(CO1)CCN(C(=O)c1ccc([O-])cc1)CC2 ZINC000585104625 468972420 /nfs/dbraw/zinc/97/24/20/468972420.db2.gz SBFVJVBFVHAATM-QGZVFWFLSA-N 0 3 332.444 2.355 40 0 EEABHN CO[C@H]1CCCN(Cc2ccccn2)[C@H]1CCC(=O)N1CCCC1 ZINC000585269318 468998004 /nfs/dbraw/zinc/99/80/04/468998004.db2.gz PBWVIQOMRHQUCS-ROUUACIJSA-N 0 3 331.460 2.464 40 0 EEABHN OCCOc1cccc(CN2CC[C@@](O)(COc3ccccc3)C2)c1 ZINC000585273427 468999195 /nfs/dbraw/zinc/99/91/95/468999195.db2.gz VMNXOQGOLUWKRM-FQEVSTJZSA-N 0 3 343.423 2.074 40 0 EEABHN COc1cc(C)c(S(=O)(=O)NCCCN2CCCC2)cc1C ZINC000193870372 536610264 /nfs/dbraw/zinc/61/02/64/536610264.db2.gz CJSNKYKTGYMLNX-UHFFFAOYSA-N 0 3 326.462 2.076 40 0 EEABHN O=C(C1CCCCC1)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000072390862 216191552 /nfs/dbraw/zinc/19/15/52/216191552.db2.gz MULSGCIDPAMBAJ-OAHLLOKOSA-N 0 3 328.460 2.409 40 0 EEABHN CN(CC(=O)NCC(F)(F)F)C1CCN(c2ccc(F)cc2)CC1 ZINC000072666671 216289847 /nfs/dbraw/zinc/28/98/47/216289847.db2.gz AKEJCPPMOQEVBF-UHFFFAOYSA-N 0 3 347.356 2.405 40 0 EEABHN CN(CCS[C@H]1CCN(c2cnn(C)c2)C1=O)Cc1ccccc1 ZINC000193629279 240242959 /nfs/dbraw/zinc/24/29/59/240242959.db2.gz OCVLVMLBZLUJKP-KRWDZBQOSA-N 0 3 344.484 2.391 40 0 EEABHN COc1ccccc1C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019568853 212044618 /nfs/dbraw/zinc/04/46/18/212044618.db2.gz XJQVCVPJHUQJBO-INIZCTEOSA-N 0 3 338.411 2.108 40 0 EEABHN COc1ccc(S(=O)(=O)N(C)CC2CCN(C)CC2)c(C)c1C ZINC000078771581 217117412 /nfs/dbraw/zinc/11/74/12/217117412.db2.gz GTGIWDMFZMKMCW-UHFFFAOYSA-N 0 3 340.489 2.274 40 0 EEABHN CC(C)N(C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)CN ZINC000079392966 217218603 /nfs/dbraw/zinc/21/86/03/217218603.db2.gz XBXFNDPHVFLPLD-KRWDZBQOSA-N 0 3 347.459 2.231 40 0 EEABHN CC(C)[C@H](N)C(=O)N(C)Cc1ccccc1I ZINC000079420983 217222815 /nfs/dbraw/zinc/22/28/15/217222815.db2.gz LVJOHHRKNLVKBY-LBPRGKRZSA-N 0 3 346.212 2.233 40 0 EEABHN COCCCNCc1cc2c(C)nn(-c3ccccc3)c2[nH]c1=O ZINC000012186317 211313320 /nfs/dbraw/zinc/31/33/20/211313320.db2.gz TWTXCFIGHGFWLV-UHFFFAOYSA-N 0 3 326.400 2.148 40 0 EEABHN Cc1cc2ccccc2nc1NCCCCN1CCN(CCO)CC1 ZINC000095426269 218368432 /nfs/dbraw/zinc/36/84/32/218368432.db2.gz MXFHSSZRIOOBQM-UHFFFAOYSA-N 0 3 342.487 2.345 40 0 EEABHN c1ccc(CN2CCC3(CC2)CN(Cc2ccccn2)CCO3)nc1 ZINC000096048962 218537200 /nfs/dbraw/zinc/53/72/00/218537200.db2.gz YKFZVTVPKNLARM-UHFFFAOYSA-N 0 3 338.455 2.344 40 0 EEABHN Cn1cc(CN2CCC3(CO[C@@H](COc4cccnc4)C3)CC2)cn1 ZINC000096218348 218692903 /nfs/dbraw/zinc/69/29/03/218692903.db2.gz XALRIECDXPWATD-GOSISDBHSA-N 0 3 342.443 2.265 40 0 EEABHN O=C(CNCCc1ccccc1)Nc1ccccc1N1CCOCC1 ZINC000035311487 132389701 /nfs/dbraw/zinc/38/97/01/132389701.db2.gz MBRZJKILDAHDJO-UHFFFAOYSA-N 0 3 339.439 2.294 40 0 EEABHN CC(C(=O)N(C)C)S(=O)(=O)[C@@H](C)c1cccc(Br)c1 ZINC000291923507 275354117 /nfs/dbraw/zinc/35/41/17/275354117.db2.gz NNNZBTPSHLBMEO-UWVGGRQHSA-N 0 3 348.262 2.402 40 0 EEABHN Cn1cc(CC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)cn1 ZINC000162319374 323334530 /nfs/dbraw/zinc/33/45/30/323334530.db2.gz CDIDLXAXYRRKRE-IBGZPJMESA-N 0 3 326.444 2.134 40 0 EEABHN CC[C@H](NC(=O)C[C@H]1CNCCO1)c1ccc(Br)cc1 ZINC000091299950 462871768 /nfs/dbraw/zinc/87/17/68/462871768.db2.gz AGOIARMIRMDQNI-KBPBESRZSA-N 0 3 341.249 2.395 40 0 EEABHN OC[C@H](NC1CCC2(CC1)OCCO2)c1cc(F)c(F)c(F)c1 ZINC000156913212 463080649 /nfs/dbraw/zinc/08/06/49/463080649.db2.gz PBEPLLNKJYRVLA-AWEZNQCLSA-N 0 3 331.334 2.413 40 0 EEABHN c1cncc(CN2CCO[C@@H]3CN(Cc4ccncc4)CC[C@@H]3C2)c1 ZINC000096055168 463156205 /nfs/dbraw/zinc/15/62/05/463156205.db2.gz UNICZXQEFNOIJX-WOJBJXKFSA-N 0 3 338.455 2.200 40 0 EEABHN O=C(NCC1CC1)[C@H]1CCC2(CCN(Cc3ccncc3)CC2)O1 ZINC000096061182 463161122 /nfs/dbraw/zinc/16/11/22/463161122.db2.gz DSVGFSPLNVNQBD-QGZVFWFLSA-N 0 3 329.444 2.121 40 0 EEABHN CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3cccs3)CC[C@@H]21 ZINC000096064442 463163559 /nfs/dbraw/zinc/16/35/59/463163559.db2.gz FJLQNGXLGXKNGR-RYRKJORJSA-N 0 3 344.484 2.456 40 0 EEABHN Cn1cc(CN2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)cn1 ZINC000096107028 463174821 /nfs/dbraw/zinc/17/48/21/463174821.db2.gz PNGFCLCYMIKHGR-HNNXBMFYSA-N 0 3 346.406 2.157 40 0 EEABHN CCN(CC)Cc1cnc2n1CCN(Cc1c(C)noc1C)CC2 ZINC000096196825 463202889 /nfs/dbraw/zinc/20/28/89/463202889.db2.gz QECLOUIAPDPCPQ-UHFFFAOYSA-N 0 3 331.464 2.388 40 0 EEABHN COCCO[C@@H]1CCN(Cc2ccc(F)cc2)[C@H]1Cc1cnn(C)c1 ZINC000096200218 463205960 /nfs/dbraw/zinc/20/59/60/463205960.db2.gz ZDEPGXSWVALWGB-RBUKOAKNSA-N 0 3 347.434 2.408 40 0 EEABHN COC[C@@H]1C(=O)N(CC2CC2)CC12CCN(Cc1ccncc1)CC2 ZINC000096206421 463208318 /nfs/dbraw/zinc/20/83/18/463208318.db2.gz QKQPUQBIUABNCK-GOSISDBHSA-N 0 3 343.471 2.179 40 0 EEABHN Cc1ccc(CN2C[C@@H]3[C@H](C2)OCCN3CCN2CCCC2)s1 ZINC000096248718 463227233 /nfs/dbraw/zinc/22/72/33/463227233.db2.gz HHPMEQAOEVREFZ-MSOLQXFVSA-N 0 3 335.517 2.037 40 0 EEABHN CCOC(=O)C1CCN(C[C@@H](O)COCc2ccc(C)cc2)CC1 ZINC000096305989 463233921 /nfs/dbraw/zinc/23/39/21/463233921.db2.gz OHYRPJOJOFVCCX-GOSISDBHSA-N 0 3 335.444 2.148 40 0 EEABHN Cc1ccc(NC(=O)C(=O)NCCc2cccc(CN(C)C)c2)cc1 ZINC000096408449 463241299 /nfs/dbraw/zinc/24/12/99/463241299.db2.gz ZBBAYAQWMYZRCQ-UHFFFAOYSA-N 0 3 339.439 2.354 40 0 EEABHN CC(C)[C@H](C)NC(=O)C1CCN(CCOC[C@@H]2CCCO2)CC1 ZINC000096421093 463251359 /nfs/dbraw/zinc/25/13/59/463251359.db2.gz SRLNVRPZGQSRCR-RDJZCZTQSA-N 0 3 326.481 2.055 40 0 EEABHN C[C@@H](C(=O)NC[C@H](O)CN1CCC(C)CC1)c1ccc(F)c(F)c1 ZINC000096436450 463264795 /nfs/dbraw/zinc/26/47/95/463264795.db2.gz JRHIRRYDHSCWRV-HIFRSBDPSA-N 0 3 340.414 2.277 40 0 EEABHN COc1cccc(C(=O)N2CCCN(C[C@@H]3CCCOC3)CC2)c1 ZINC000096481000 463281830 /nfs/dbraw/zinc/28/18/30/463281830.db2.gz QDSNIKKODSXTHH-INIZCTEOSA-N 0 3 332.444 2.270 40 0 EEABHN NC(=O)CN1CCC(NCc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000096483922 463283046 /nfs/dbraw/zinc/28/30/46/463283046.db2.gz SFWXHTQELCRQRM-UHFFFAOYSA-N 0 3 349.784 2.398 40 0 EEABHN Cc1nn(-c2ccccc2)c(C)c1CNC[C@]1(O)CCCN(C)C1 ZINC000041123501 463468001 /nfs/dbraw/zinc/46/80/01/463468001.db2.gz MLZBUHCRXRZTOA-LJQANCHMSA-N 0 3 328.460 2.035 40 0 EEABHN CN(C)C(=O)NC1CC2(C1)CCN(Cc1ccc3c(c1)CCO3)C2 ZINC000108524428 463610294 /nfs/dbraw/zinc/61/02/94/463610294.db2.gz LHNPLARWXMIAQX-UHFFFAOYSA-N 0 3 329.444 2.247 40 0 EEABHN CC(C)C(=O)N[C@H]1CCN(Cc2cccc3cccnc32)CC[C@@H]1O ZINC000257290612 463764102 /nfs/dbraw/zinc/76/41/02/463764102.db2.gz QDOWPNBBSRWLHO-ROUUACIJSA-N 0 3 341.455 2.332 40 0 EEABHN CN1CCC[C@@H](c2cccc(N3CC4(CCOCC4)OC3=O)n2)C1 ZINC000257293373 463765487 /nfs/dbraw/zinc/76/54/87/463765487.db2.gz QPFGYZXUNKGOBJ-CQSZACIVSA-N 0 3 331.416 2.397 40 0 EEABHN Cc1cc(N(C)C)cc([C@@H]2CCCN2S(=O)(=O)c2cccnc2)n1 ZINC000257294297 463765618 /nfs/dbraw/zinc/76/56/18/463765618.db2.gz QTLQIGZDWQOKDY-KRWDZBQOSA-N 0 3 346.456 2.377 40 0 EEABHN C(CSc1nnc(N2CCOCC2)s1)CN1CCCCC1 ZINC000187682394 464149950 /nfs/dbraw/zinc/14/99/50/464149950.db2.gz MMNCJOKJWRNLQK-UHFFFAOYSA-N 0 3 328.507 2.343 40 0 EEABHN CNC(=O)CN1CCC(CN(C)Cc2cc(F)ccc2Cl)CC1 ZINC000225461649 464162733 /nfs/dbraw/zinc/16/27/33/464162733.db2.gz XHROCXIGTIMDQN-UHFFFAOYSA-N 0 3 341.858 2.369 40 0 EEABHN CC1=C(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCCO1 ZINC000192231915 464889855 /nfs/dbraw/zinc/88/98/55/464889855.db2.gz PXVAKAGVICOYJF-SFHVURJKSA-N 0 3 344.455 2.478 40 0 EEABHN CCCOc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2CC)cc1 ZINC000192679905 464976019 /nfs/dbraw/zinc/97/60/19/464976019.db2.gz JPEBDYVOYUPDNS-OAHLLOKOSA-N 0 3 333.432 2.014 40 0 EEABHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000253369757 464994980 /nfs/dbraw/zinc/99/49/80/464994980.db2.gz HVTNJQMUGPUVKW-RHSMWYFYSA-N 0 3 342.447 2.130 40 0 EEABHN CC(C)C(=O)NC[C@H]1CO[C@@H]2CN(Cc3cccc4[nH]ccc43)C[C@H]12 ZINC000306143029 466494634 /nfs/dbraw/zinc/49/46/34/466494634.db2.gz XRHGMMHEHQQDGI-KVSKMBFKSA-N 0 3 341.455 2.387 40 0 EEABHN O=C(c1ccc(Cl)cc1)N1CC2(C1)C[C@H](CO)CN2CC1CC1 ZINC000585093832 468963764 /nfs/dbraw/zinc/96/37/64/468963764.db2.gz IGPLQVZHFQDRRL-AWEZNQCLSA-N 0 3 334.847 2.259 40 0 EEABHN OC1CCN([C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)CC1 ZINC000585289829 469011140 /nfs/dbraw/zinc/01/11/40/469011140.db2.gz OFVAVEZYCGXHNE-GVDBMIGSSA-N 0 3 325.836 2.458 40 0 EEABHN Cc1[nH]nc(C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)c1C ZINC000328675522 683684800 /nfs/dbraw/zinc/68/48/00/683684800.db2.gz KRRGYTWUWKHEEW-UHFFFAOYSA-N 0 3 329.404 2.147 40 0 EEABHN COc1ccccc1CN1CCC2(CN(C(C)=O)[C@](C)(CO)C2)CC1 ZINC000257264213 244355133 /nfs/dbraw/zinc/35/51/33/244355133.db2.gz LTJRCCBSXWILEG-IBGZPJMESA-N 0 3 346.471 2.281 40 0 EEABHN O=C(COc1ccccc1)N1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019373460 212024272 /nfs/dbraw/zinc/02/42/72/212024272.db2.gz UURGQMGVBGIYKK-SQNIBIBYSA-N 0 3 326.440 2.422 40 0 EEABHN O=C1CC[C@@H](c2nc(C3CCN(Cc4cccs4)CC3)no2)N1 ZINC000012337309 211351460 /nfs/dbraw/zinc/35/14/60/211351460.db2.gz FRKUUVFEAJRVLD-ZDUSSCGKSA-N 0 3 332.429 2.462 40 0 EEABHN N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000096481251 218857566 /nfs/dbraw/zinc/85/75/66/218857566.db2.gz VNIHNXQEBUHCDT-ZWKOTPCHSA-N 0 3 328.387 2.296 40 0 EEABHN c1cncc(CO[C@H]2CC[C@H]3[C@H]2OCCN3CCN2CCCCC2)c1 ZINC000096042195 463147302 /nfs/dbraw/zinc/14/73/02/463147302.db2.gz BLZIDRVCTCSPQP-SLFFLAALSA-N 0 3 345.487 2.316 40 0 EEABHN Cc1noc(C)c1CN1C[C@@]2(CCN(Cc3ccccn3)C2)CC1=O ZINC000096050952 463154716 /nfs/dbraw/zinc/15/47/16/463154716.db2.gz PFBJYFPLHKCIDL-IBGZPJMESA-N 0 3 340.427 2.311 40 0 EEABHN COCCN1CCOC[C@]2(CCCN(C(=O)CC3CCCC3)C2)C1 ZINC000096076295 463168811 /nfs/dbraw/zinc/16/88/11/463168811.db2.gz ZDQFWRGZVDTYIB-LJQANCHMSA-N 0 3 338.492 2.154 40 0 EEABHN COCCN1CCO[C@@H]2CN(Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC000096110908 463180020 /nfs/dbraw/zinc/18/00/20/463180020.db2.gz KTNZGCQXBVRXHT-FXAWDEMLSA-N 0 3 341.455 2.014 40 0 EEABHN O=C([C@H]1CCCO1)N1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC000096157427 463189160 /nfs/dbraw/zinc/18/91/60/463189160.db2.gz WSGDUQRLGXXIGJ-QGZVFWFLSA-N 0 3 329.444 2.075 40 0 EEABHN Cc1nc(CN2CC[C@]3(CCN(Cc4cccn4C)C3)C2=O)cs1 ZINC000096159432 463190586 /nfs/dbraw/zinc/19/05/86/463190586.db2.gz JGFGTHUAVXPYFK-SFHVURJKSA-N 0 3 344.484 2.415 40 0 EEABHN Cc1ccc(CN2CC[C@]3(C2)C(=O)NC[C@@H]3COc2cccnc2)o1 ZINC000096219296 463216818 /nfs/dbraw/zinc/21/68/18/463216818.db2.gz VCWLIGANLGYSKS-DNVCBOLYSA-N 0 3 341.411 2.000 40 0 EEABHN COCCN1CC[C@@H](NC(=O)NCC(C)(C)c2cccs2)C1 ZINC000096413324 463246413 /nfs/dbraw/zinc/24/64/13/463246413.db2.gz CCQSUZLQHYLISG-CYBMUJFWSA-N 0 3 325.478 2.046 40 0 EEABHN CN(C)c1nccc(CNC2CCN(Cc3ccccc3F)CC2)n1 ZINC000096501521 463291231 /nfs/dbraw/zinc/29/12/31/463291231.db2.gz KKIXXXGHZQLDNC-UHFFFAOYSA-N 0 3 343.450 2.436 40 0 EEABHN COc1cccc(N2CCC[C@@H](N[C@H](C)Cn3cccn3)C2=O)c1 ZINC000138487519 463310069 /nfs/dbraw/zinc/31/00/69/463310069.db2.gz RJTCZFLHPRZPIC-RHSMWYFYSA-N 0 3 328.416 2.065 40 0 EEABHN CNC(=O)NC(=O)CN[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000097103546 463324856 /nfs/dbraw/zinc/32/48/56/463324856.db2.gz OQHIQBDJPDJXNN-AAEUAGOBSA-N 0 3 343.349 2.387 40 0 EEABHN COc1cccc(/C(C)=C/C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000081727827 463484663 /nfs/dbraw/zinc/48/46/63/463484663.db2.gz UFKUDKRSTKNMLM-JDERRNKESA-N 0 3 330.428 2.078 40 0 EEABHN Cc1cccnc1CN1CC[C@@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000108533056 463610170 /nfs/dbraw/zinc/61/01/70/463610170.db2.gz IDZFLUCOZYJSLO-XLIONFOSSA-N 0 3 343.471 2.241 40 0 EEABHN Cn1cc(-c2cc(CN3CC[C@H](CNc4ccccn4)C3)on2)cn1 ZINC000185008086 463735331 /nfs/dbraw/zinc/73/53/31/463735331.db2.gz OJHPWIPXAKCNHB-CQSZACIVSA-N 0 3 338.415 2.404 40 0 EEABHN O=C(c1cc(-c2cccnc2)[nH]n1)N1CCNC[C@H]1c1ccccc1 ZINC000257298368 463767795 /nfs/dbraw/zinc/76/77/95/463767795.db2.gz RLJKZHOEKDPJAD-SFHVURJKSA-N 0 3 333.395 2.258 40 0 EEABHN COc1ccccc1CNC(=O)c1cnc([C@@H]2CCCN2)nc1C ZINC000257307333 463772315 /nfs/dbraw/zinc/77/23/15/463772315.db2.gz SYFMFTQAFXEDMU-HNNXBMFYSA-N 0 3 326.400 2.148 40 0 EEABHN CN1CC[C@@H](c2nc(CNC(=O)CCc3ccc(F)cc3)c[nH]2)C1 ZINC000257324802 463778168 /nfs/dbraw/zinc/77/81/68/463778168.db2.gz WQGIXTACJLTTKD-CQSZACIVSA-N 0 3 330.407 2.217 40 0 EEABHN CC(=O)N1CCc2cccc(NC(=O)N(C)[C@@H]3CCN(C)C[C@@H]3C)c21 ZINC000195540369 464072953 /nfs/dbraw/zinc/07/29/53/464072953.db2.gz ZWXOCUNDQUYIQS-SUMWQHHRSA-N 0 3 344.459 2.400 40 0 EEABHN CC[C@H](CO)N[C@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000195561766 464077341 /nfs/dbraw/zinc/07/73/41/464077341.db2.gz CVLKSEKSMSCOQX-HYVNUMGLSA-N 0 3 325.474 2.440 40 0 EEABHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(Cl)cc1F ZINC000249132547 464844154 /nfs/dbraw/zinc/84/41/54/464844154.db2.gz DHEYGZCTXABFGA-QMTHXVAHSA-N 0 3 341.814 2.216 40 0 EEABHN Cn1nccc1N1CCC[C@H](NCc2ccnn2-c2ccccc2)C1 ZINC000253430396 465013342 /nfs/dbraw/zinc/01/33/42/465013342.db2.gz WFROUYAHTIAYEV-INIZCTEOSA-N 0 3 336.443 2.364 40 0 EEABHN Cc1ccc(CN2CCC3(CC2)CN(C)Cc2nnc(C)n23)s1 ZINC000306136273 466491101 /nfs/dbraw/zinc/49/11/01/466491101.db2.gz POKSNLNVRADAAK-UHFFFAOYSA-N 0 3 331.489 2.393 40 0 EEABHN O=C(c1ccc(Cl)cc1)N1CC2(C1)C[C@@H](CO)CN2CC1CC1 ZINC000585093833 468963656 /nfs/dbraw/zinc/96/36/56/468963656.db2.gz IGPLQVZHFQDRRL-CQSZACIVSA-N 0 3 334.847 2.259 40 0 EEABHN CN(Cc1ccc(OCCCO)cc1)C[C@@H](O)COc1ccccc1 ZINC000585269682 468996989 /nfs/dbraw/zinc/99/69/89/468996989.db2.gz HVDWSISINDKDPT-GOSISDBHSA-N 0 3 345.439 2.320 40 0 EEABHN OCCOc1cccc(CN2CC[C@H](Cc3ccccc3)[C@@H](O)C2)c1 ZINC000585281102 469007565 /nfs/dbraw/zinc/00/75/65/469007565.db2.gz SZNKOBBNLSGXKW-CTNGQTDRSA-N 0 3 341.451 2.483 40 0 EEABHN Cc1ccc([C@@H](CN[C@@H]2CCCc3nn(C)cc32)N2CCOCC2)o1 ZINC000684554215 485924223 /nfs/dbraw/zinc/92/42/23/485924223.db2.gz ZDZVERMZVLODLZ-SJLPKXTDSA-N 0 3 344.459 2.362 40 0 EEABHN Cc1nc(NCCNC(=O)Cc2ccccc2)cc(N2CCCC2)n1 ZINC000038670682 213219313 /nfs/dbraw/zinc/21/93/13/213219313.db2.gz KUKWFXZCUCYMSL-UHFFFAOYSA-N 0 3 339.443 2.156 40 0 EEABHN CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCc3c[nH]nc3C2)cc1 ZINC000236829891 242375065 /nfs/dbraw/zinc/37/50/65/242375065.db2.gz RPOAOYGCQJJENH-DOTOQJQBSA-N 0 3 326.444 2.454 40 0 EEABHN CNC(=O)c1cc(C[C@H]2CCCN(Cc3cccnc3)CC2)ncn1 ZINC000257238611 244234363 /nfs/dbraw/zinc/23/43/63/244234363.db2.gz HLUQIVIABRXTPI-HNNXBMFYSA-N 0 3 339.443 2.076 40 0 EEABHN Cc1cc(N(C)C)cc([C@H]2CCCN2S(=O)(=O)c2cccnc2)n1 ZINC000257294298 244442050 /nfs/dbraw/zinc/44/20/50/244442050.db2.gz QTLQIGZDWQOKDY-QGZVFWFLSA-N 0 3 346.456 2.377 40 0 EEABHN COc1ccc(CN2CCC[C@@H](c3nc(C)cc(=O)[nH]3)C2)cc1OC ZINC000019117938 212000785 /nfs/dbraw/zinc/00/07/85/212000785.db2.gz KWWAOHFGLUGGMZ-OAHLLOKOSA-N 0 3 343.427 2.475 40 0 EEABHN C[C@H](NC1(CNC(=O)c2csnn2)CCOCC1)c1ccccc1 ZINC000079096127 217191566 /nfs/dbraw/zinc/19/15/66/217191566.db2.gz DINWUBJJPSHJKW-ZDUSSCGKSA-N 0 3 346.456 2.168 40 0 EEABHN C[C@H](N)C(=O)N1CCC[C@@H](N(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079413080 217221469 /nfs/dbraw/zinc/22/14/69/217221469.db2.gz AWXOBJQWPYAYSL-WMLDXEAASA-N 0 3 345.443 2.126 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CCCC[C@H]1CNC(=O)OCc1ccccc1 ZINC000079428193 217222965 /nfs/dbraw/zinc/22/29/65/217222965.db2.gz SUVKDXVGAXPEIC-IRXDYDNUSA-N 0 3 347.459 2.277 40 0 EEABHN CN1CCC[C@H](NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000012195156 211317125 /nfs/dbraw/zinc/31/71/25/211317125.db2.gz BFVSFTWBCZTGKR-SFHVURJKSA-N 0 3 333.451 2.248 40 0 EEABHN CN1[C@@H]2CC[C@H]1Cc1nc(N3CCN(Cc4ccccc4)CC3)ncc12 ZINC000012326168 277215599 /nfs/dbraw/zinc/21/55/99/277215599.db2.gz HTOSMPSWYWSIKK-FXAWDEMLSA-N 0 3 349.482 2.490 40 0 EEABHN Cc1nc(C)c(C(=O)N2Cc3ccccc3OC[C@@H]2CN(C)C)o1 ZINC000012366143 293220819 /nfs/dbraw/zinc/22/08/19/293220819.db2.gz VEXSFBVQSYQQSJ-HNNXBMFYSA-N 0 3 329.400 2.256 40 0 EEABHN COc1ccccc1O[C@@H](C)CNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000074822710 462639558 /nfs/dbraw/zinc/63/95/58/462639558.db2.gz CCBZXXSGFMMHIB-GJZGRUSLSA-N 0 3 335.448 2.198 40 0 EEABHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1cc(N2CCCC2)ncn1 ZINC000075166322 462690730 /nfs/dbraw/zinc/69/07/30/462690730.db2.gz OVDHBSNVULTPIC-SJKOYZFVSA-N 0 3 340.383 2.244 40 0 EEABHN O=C([C@@H]1CC=CCC1)N1CCO[C@H]2[C@H](OCCN3CCCC3)CC[C@@H]21 ZINC000096041635 463146483 /nfs/dbraw/zinc/14/64/83/463146483.db2.gz QSLSMGKNIIOPMV-FCGDIQPGSA-N 0 3 348.487 2.214 40 0 EEABHN COc1ccc(CN2CCC[C@]3(CO[C@@H](C(=O)N(C)C)C3)C2)cc1 ZINC000096048889 463153651 /nfs/dbraw/zinc/15/36/51/463153651.db2.gz STFJCEPUKNEIAV-IEBWSBKVSA-N 0 3 332.444 2.155 40 0 EEABHN O=C(c1cscn1)N1C[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]2C1 ZINC000096053935 463156022 /nfs/dbraw/zinc/15/60/22/463156022.db2.gz CFSFRHHKPFKMTB-KBPBESRZSA-N 0 3 331.416 2.486 40 0 EEABHN CN(Cc1ccco1)C[C@@H]1Cn2ccnc2CN(C(=O)CC2CC2)C1 ZINC000096067128 463164693 /nfs/dbraw/zinc/16/46/93/463164693.db2.gz VGCJVFKSPXXBLQ-MRXNPFEDSA-N 0 3 342.443 2.367 40 0 EEABHN c1csc(CN2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC000096082358 463170972 /nfs/dbraw/zinc/17/09/72/463170972.db2.gz JIXMCNDVOQNPME-IAGOWNOFSA-N 0 3 344.484 2.261 40 0 EEABHN Cn1cccc1CN1CC[C@]2(C1)CCCN(c1ncc(F)cn1)C2 ZINC000096158296 463189062 /nfs/dbraw/zinc/18/90/62/463189062.db2.gz BBFBGHGMMMZVEB-SFHVURJKSA-N 0 3 329.423 2.447 40 0 EEABHN CCOCC(=O)N1CCC2(CCN(Cc3ccccn3)CC2)CC1 ZINC000096158389 463189600 /nfs/dbraw/zinc/18/96/00/463189600.db2.gz BEMNARASTSLTAR-UHFFFAOYSA-N 0 3 331.460 2.323 40 0 EEABHN COCC(=O)N[C@@H]1COCCC12CCN(Cc1ccc(C)cc1)CC2 ZINC000096217060 463214800 /nfs/dbraw/zinc/21/48/00/463214800.db2.gz TXHBVWMFJLUXQF-GOSISDBHSA-N 0 3 346.471 2.129 40 0 EEABHN Cc1ccnc(OC[C@H]2Cn3cncc3CN(CC3CCC3)C2)n1 ZINC000096220217 463217497 /nfs/dbraw/zinc/21/74/97/463217497.db2.gz RDMGUWRPQXEHTP-MRXNPFEDSA-N 0 3 327.432 2.292 40 0 EEABHN COCCN1CC[C@H](NC(=O)/C=C/c2cn(C)c3ccccc23)C1 ZINC000096430950 463260377 /nfs/dbraw/zinc/26/03/77/463260377.db2.gz PTBZQCNQMAWYKQ-WAVCKPEOSA-N 0 3 327.428 2.028 40 0 EEABHN CC(C(=O)N1CCCC1)S(=O)(=O)Cc1nc(C(C)(C)C)cs1 ZINC000096461708 463276478 /nfs/dbraw/zinc/27/64/78/463276478.db2.gz LFFBUTOFNCQXLC-LLVKDONJSA-N 0 3 344.502 2.366 40 0 EEABHN CN(C)C1(C(=O)N2CCCN(c3nc4ccccc4[nH]3)CC2)CCC1 ZINC000096475988 463280229 /nfs/dbraw/zinc/28/02/29/463280229.db2.gz QWUUKOOTQSDTBD-UHFFFAOYSA-N 0 3 341.459 2.086 40 0 EEABHN O[C@H](Cn1ccc(C(F)(F)F)n1)CN1CCc2ccccc2C1 ZINC000096484747 463283769 /nfs/dbraw/zinc/28/37/69/463283769.db2.gz QRDXTCPBKIJXTB-AWEZNQCLSA-N 0 3 325.334 2.321 40 0 EEABHN CCC[C@H](N)C(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000096499780 463290709 /nfs/dbraw/zinc/29/07/09/463290709.db2.gz MFPFSUFCMKVZJG-RYUDHWBXSA-N 0 3 331.338 2.208 40 0 EEABHN CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000097229387 463351256 /nfs/dbraw/zinc/35/12/56/463351256.db2.gz LYVWTCJMQCJPQU-OCCSQVGLSA-N 0 3 344.864 2.338 40 0 EEABHN CN(CCC(=O)N1CCC[C@H](c2ccncn2)C1)Cc1cccnc1 ZINC000257283118 463761171 /nfs/dbraw/zinc/76/11/71/463761171.db2.gz OWVBPYNMOXLCSQ-KRWDZBQOSA-N 0 3 339.443 2.100 40 0 EEABHN O=C([C@H]1C[C@H](F)CN1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000188973602 464407170 /nfs/dbraw/zinc/40/71/70/464407170.db2.gz UWXVMKQZPURMBT-GXTWGEPZSA-N 0 3 345.340 2.054 40 0 EEABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@]2(CN)CO)cc1 ZINC000242437476 464456938 /nfs/dbraw/zinc/45/69/38/464456938.db2.gz CCADMWIVQDUJHT-KURKYZTESA-N 0 3 349.427 2.011 40 0 EEABHN CCN(C(=O)OCc1ccccc1)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000242574882 464457435 /nfs/dbraw/zinc/45/74/35/464457435.db2.gz NHTHNWKUPBLWCD-WKILWMFISA-N 0 3 333.432 2.031 40 0 EEABHN CN1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CCCC[C@H]2n2cccn2)C1 ZINC000245914360 464524889 /nfs/dbraw/zinc/52/48/89/464524889.db2.gz GGUNTMYYSPYNNS-XMTFNYHQSA-N 0 3 345.491 2.493 40 0 EEABHN COCc1noc(CN2CCN(C[C@H]3C(C)=CCC[C@H]3C)CC2)n1 ZINC000191133717 464781914 /nfs/dbraw/zinc/78/19/14/464781914.db2.gz KOMBCTYHOQQWLO-CVEARBPZSA-N 0 3 334.464 2.326 40 0 EEABHN CN1CC[C@@H](Nc2cc(-n3cccn3)nc(N)n2)[C@H]1c1ccccc1 ZINC000252538987 464982635 /nfs/dbraw/zinc/98/26/35/464982635.db2.gz NPJVCTDKZDTPRZ-RHSMWYFYSA-N 0 3 335.415 2.102 40 0 EEABHN COc1ccc([C@@H]2CNCCN2Cc2cccc(OCCO)c2)cc1 ZINC000585182293 468995664 /nfs/dbraw/zinc/99/56/64/468995664.db2.gz YZWKZCINQHTKID-FQEVSTJZSA-N 0 3 342.439 2.213 40 0 EEABHN CO[C@@H]1CCN(Cc2ccncc2C)C[C@H]1CC(=O)N1CCCC1 ZINC000585277875 469003459 /nfs/dbraw/zinc/00/34/59/469003459.db2.gz QOMYKYYVCIRSEH-QZTJIDSGSA-N 0 3 331.460 2.239 40 0 EEABHN CO[C@@]1(COc2ccccc2)CCCN(C(=O)/C=C/CN(C)C)C1 ZINC000585290078 469010869 /nfs/dbraw/zinc/01/08/69/469010869.db2.gz RMVFWUUPLOGDKG-SSVWKNEZSA-N 0 3 332.444 2.191 40 0 EEABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OCC(C)C)cc1 ZINC000408708516 529076650 /nfs/dbraw/zinc/07/66/50/529076650.db2.gz JHDXXAANVBXSFJ-MRXNPFEDSA-N 0 3 347.459 2.260 40 0 EEABHN Cc1cccc(Nc2cccc([C@H]3CCCN(C(=O)CN)C3)n2)n1 ZINC000072382963 216184472 /nfs/dbraw/zinc/18/44/72/216184472.db2.gz UIZPUAWYSNDVQW-AWEZNQCLSA-N 0 3 325.416 2.193 40 0 EEABHN Cc1ccc(C)c([C@@H](O)CN2CCN([C@@H]3CCCN(C)C3)CC2)c1 ZINC000072637017 216285834 /nfs/dbraw/zinc/28/58/34/216285834.db2.gz WDJGIFIVEKNYAT-QUCCMNQESA-N 0 3 331.504 2.049 40 0 EEABHN CO[C@@H]1CCCOC12CCN(Cc1ccc(OCCO)cc1)CC2 ZINC000257237644 244232191 /nfs/dbraw/zinc/23/21/91/244232191.db2.gz HHKUVQCBYKXMJG-GOSISDBHSA-N 0 3 335.444 2.218 40 0 EEABHN O=C(Cc1cnc[nH]1)N1CCC[C@H]1c1cccc(CN2CCCC2)n1 ZINC000257269438 244369197 /nfs/dbraw/zinc/36/91/97/244369197.db2.gz MPXSRWRDSSGQOL-SFHVURJKSA-N 0 3 339.443 2.307 40 0 EEABHN COCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccccc3)C2)no1 ZINC000019593549 212050251 /nfs/dbraw/zinc/05/02/51/212050251.db2.gz JGQVRVCASXVEOU-MRXNPFEDSA-N 0 3 343.427 2.430 40 0 EEABHN CNc1ncccc1CN[C@@H]1CCC(=O)N[C@H]1c1ccccc1F ZINC000019592066 212047970 /nfs/dbraw/zinc/04/79/70/212047970.db2.gz ZIRJTJLXXBPDGI-WBVHZDCISA-N 0 3 328.391 2.372 40 0 EEABHN Cc1cc(C[N@@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)cs1 ZINC000019572075 212043782 /nfs/dbraw/zinc/04/37/82/212043782.db2.gz BWHUWUIJMRWIDW-UHFFFAOYSA-N 0 3 344.484 2.341 40 0 EEABHN Cc1cc(C[N@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)cs1 ZINC000019572075 212043783 /nfs/dbraw/zinc/04/37/83/212043783.db2.gz BWHUWUIJMRWIDW-UHFFFAOYSA-N 0 3 344.484 2.341 40 0 EEABHN c1cncc(CN2C[C@H]3CCc4nnc(-c5cccnc5)n4[C@H]3C2)c1 ZINC000019339623 212017951 /nfs/dbraw/zinc/01/79/51/212017951.db2.gz LGYJAZCXSGBFKI-SJORKVTESA-N 0 3 332.411 2.354 40 0 EEABHN Cc1nc2c(c(=O)[nH]1)CCN(Cc1ccc3c(c1)CCCO3)CC2 ZINC000019286442 212009862 /nfs/dbraw/zinc/00/98/62/212009862.db2.gz FUEUORZSQUKEMX-UHFFFAOYSA-N 0 3 325.412 2.004 40 0 EEABHN Cc1nccn1CCCC(=O)NCc1ccccc1OCCN(C)C ZINC000078394401 217046552 /nfs/dbraw/zinc/04/65/52/217046552.db2.gz VIYITNCGJCURHV-UHFFFAOYSA-N 0 3 344.459 2.229 40 0 EEABHN O=C(Cc1cc(-c2ccccc2)on1)N[C@H]1CCN(CC2CC2)C1 ZINC000081366359 217390087 /nfs/dbraw/zinc/39/00/87/217390087.db2.gz SKJXNYHMBJNKQO-INIZCTEOSA-N 0 3 325.412 2.485 40 0 EEABHN CCOC(=O)C1=C([O-])NC(N2CCCCC2)=[NH+][C@@H]1c1ccccc1C ZINC000010339385 211167896 /nfs/dbraw/zinc/16/78/96/211167896.db2.gz URZFWAUOEZFTID-JKSUJKDBSA-N 0 3 343.427 2.187 40 0 EEABHN c1cc(-c2nnn3c2CO[C@H](CNCc2ccccn2)C3)cs1 ZINC000096061052 218554634 /nfs/dbraw/zinc/55/46/34/218554634.db2.gz RPWSPWGDAJOHBF-CQSZACIVSA-N 0 3 327.413 2.090 40 0 EEABHN CCN(C(=O)NCc1ccnn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000159225728 323333792 /nfs/dbraw/zinc/33/37/92/323333792.db2.gz LOKJKWDTPMMSFJ-GOSISDBHSA-N 0 3 341.459 2.226 40 0 EEABHN CN1CCC(NC(=O)Nc2cccn(Cc3ccccc3)c2=O)CC1 ZINC000088428651 462629926 /nfs/dbraw/zinc/62/99/26/462629926.db2.gz VJTBWPOCHPGQSC-UHFFFAOYSA-N 0 3 340.427 2.112 40 0 EEABHN C[C@@H]1COCCN1C(=O)NCCC1CCN(c2ccncc2)CC1 ZINC000091250884 462866087 /nfs/dbraw/zinc/86/60/87/462866087.db2.gz AOTOSUBAFQWTHE-OAHLLOKOSA-N 0 3 332.448 2.118 40 0 EEABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccoc3)C[C@H]21)Nc1cccnc1 ZINC000096040867 463145298 /nfs/dbraw/zinc/14/52/98/463145298.db2.gz UQTPRCLEPFCXMF-NUJGCVRESA-N 0 3 341.411 2.398 40 0 EEABHN O=C(N[C@@H]1CCC12CCN(Cc1ccco1)CC2)c1cnccn1 ZINC000096051477 463154314 /nfs/dbraw/zinc/15/43/14/463154314.db2.gz PWBONDNBUJLOHE-MRXNPFEDSA-N 0 3 326.400 2.244 40 0 EEABHN COc1ccc(CN2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)cc1 ZINC000096057609 463159315 /nfs/dbraw/zinc/15/93/15/463159315.db2.gz WMIFYSGOZOSVJH-QXAKKESOSA-N 0 3 344.455 2.297 40 0 EEABHN C[C@H]1CN(Cc2ccncc2)CC[C@]12CC[C@@H](C(=O)NCC1CC1)O2 ZINC000096061299 463161003 /nfs/dbraw/zinc/16/10/03/463161003.db2.gz SUINCIKBJCAYMO-ZAAXVRCTSA-N 0 3 343.471 2.367 40 0 EEABHN O=C(Nc1cnccn1)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2cccs2)O1 ZINC000096065352 463163701 /nfs/dbraw/zinc/16/37/01/463163701.db2.gz CXDGTZWMJSNKNN-KFWWJZLASA-N 0 3 344.440 2.299 40 0 EEABHN CCOC(=O)[C@H]1CCCN(C[C@@H](O)COc2ccccc2Cl)C1 ZINC000026919755 463176923 /nfs/dbraw/zinc/17/69/23/463176923.db2.gz QYSZQHCAOHQUST-UONOGXRCSA-N 0 3 341.835 2.355 40 0 EEABHN Cn1cccc1CN1C[C@@H]2C(=O)N(Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096245312 463225344 /nfs/dbraw/zinc/22/53/44/463225344.db2.gz YHWXOZCUPOKVIN-YJBOKZPZSA-N 0 3 327.403 2.255 40 0 EEABHN O=C(c1cscn1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096245502 463225795 /nfs/dbraw/zinc/22/57/95/463225795.db2.gz INFVGVQKNSANQG-OKILXGFUSA-N 0 3 331.416 2.486 40 0 EEABHN CN(Cc1ccccc1)C[C@@H](O)Cn1nc(-c2ccccc2)ccc1=O ZINC000096403297 463238322 /nfs/dbraw/zinc/23/83/22/463238322.db2.gz VDCNWESQFBAKDF-LJQANCHMSA-N 0 3 349.434 2.403 40 0 EEABHN COC(=O)[C@H]1C[C@@H]1C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000096407276 463240285 /nfs/dbraw/zinc/24/02/85/463240285.db2.gz MUIFLAYNANSDPA-JQFCIGGWSA-N 0 3 330.428 2.137 40 0 EEABHN CC(C)(CNCc1ccc(Cl)c2cccnc12)NS(C)(=O)=O ZINC000096473075 463279222 /nfs/dbraw/zinc/27/92/22/463279222.db2.gz UZBHSAGRQPQINA-UHFFFAOYSA-N 0 3 341.864 2.306 40 0 EEABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000073743342 463651174 /nfs/dbraw/zinc/65/11/74/463651174.db2.gz ILUVPGMPSTZEIZ-OAHLLOKOSA-N 0 3 333.432 2.013 40 0 EEABHN COc1cc(CN2CC[C@@H](c3nc(CNC(C)=O)c[nH]3)C2)ccc1F ZINC000257322449 463777440 /nfs/dbraw/zinc/77/74/40/463777440.db2.gz WGAXDIIVKGHROI-CQSZACIVSA-N 0 3 346.406 2.183 40 0 EEABHN COc1cc(CN2CC[C@@H](c3ncc(CNC(C)=O)[nH]3)C2)ccc1F ZINC000257322449 463777443 /nfs/dbraw/zinc/77/74/43/463777443.db2.gz WGAXDIIVKGHROI-CQSZACIVSA-N 0 3 346.406 2.183 40 0 EEABHN Cc1cn(C)c([C@@H]2CCN(Cc3ccnc(N4CCCC4)n3)C2)n1 ZINC000257328561 463779641 /nfs/dbraw/zinc/77/96/41/463779641.db2.gz XGEOJTOPHCWYDS-OAHLLOKOSA-N 0 3 326.448 2.108 40 0 EEABHN CN(CCC(=O)N1CCC[C@@H](c2cnccn2)C1)Cc1cccnc1 ZINC000257344666 463787495 /nfs/dbraw/zinc/78/74/95/463787495.db2.gz ZYFHKNKNXNJLTQ-QGZVFWFLSA-N 0 3 339.443 2.100 40 0 EEABHN C=Cn1cc(CNC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)cn1 ZINC000194328609 463838772 /nfs/dbraw/zinc/83/87/72/463838772.db2.gz BOYQQXPUOBYUKO-CQSZACIVSA-N 0 3 335.791 2.231 40 0 EEABHN CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223288576 464141157 /nfs/dbraw/zinc/14/11/57/464141157.db2.gz YZGNEYNZSQYMBZ-IRXDYDNUSA-N 0 3 343.500 2.437 40 0 EEABHN CC(C)C[C@@H](C)CN1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000225626961 464176923 /nfs/dbraw/zinc/17/69/23/464176923.db2.gz XTTCQLAXNWLJRM-RTBURBONSA-N 0 3 325.541 2.395 40 0 EEABHN C[C@@H]1OCC[C@@H]1N[C@H]1CCN(c2ccccc2OC(F)F)C1=O ZINC000245339173 464470664 /nfs/dbraw/zinc/47/06/64/464470664.db2.gz RADLNWQEIGAOFU-SRVKXCTJSA-N 0 3 326.343 2.160 40 0 EEABHN CCNC(=S)N(CCN(C)C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000004133470 210128632 /nfs/dbraw/zinc/12/86/32/210128632.db2.gz PUUJGCPMMUKQFA-UHFFFAOYSA-N 0 3 346.500 2.095 40 0 EEABHN O[C@@H](CNCc1ccccc1N1CCOCC1)c1cccc(F)c1 ZINC000066989779 215100847 /nfs/dbraw/zinc/10/08/47/215100847.db2.gz LEUGFQVLADQDQX-IBGZPJMESA-N 0 3 330.403 2.486 40 0 EEABHN CNCC(=O)N1CC[C@H](c2nc(C)cc(Oc3ccccc3C)n2)C1 ZINC000072363300 216170492 /nfs/dbraw/zinc/17/04/92/216170492.db2.gz HFBKMMJKLWRPBG-HNNXBMFYSA-N 0 3 340.427 2.421 40 0 EEABHN Cc1cc(N(C)C)cc([C@@H]2CCN(S(=O)(=O)c3cccnc3)C2)n1 ZINC000257248270 244263506 /nfs/dbraw/zinc/26/35/06/244263506.db2.gz JCWXAMZKPGYRTG-CQSZACIVSA-N 0 3 346.456 2.029 40 0 EEABHN Cn1c2ccc(NC(=O)C3CN(C4CCCCC4)C3)cc2oc1=O ZINC000019747252 212061298 /nfs/dbraw/zinc/06/12/98/212061298.db2.gz NNEIBHFPWYJJGB-UHFFFAOYSA-N 0 3 329.400 2.335 40 0 EEABHN CC(C)(C)NC(=O)CCN1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000078979767 217164193 /nfs/dbraw/zinc/16/41/93/217164193.db2.gz AXUIWXLFUMUNDS-UHFFFAOYSA-N 0 3 349.450 2.325 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CCC(N(C)C(=O)OCc2ccccc2)CC1 ZINC000079413209 217222566 /nfs/dbraw/zinc/22/25/66/217222566.db2.gz CUPHKRMNRSKKGI-KRWDZBQOSA-N 0 3 347.459 2.229 40 0 EEABHN Fc1ccc(CNC[C@@H]([C@@H]2CCOC2)N2CCOCC2)c(Cl)c1 ZINC000095425748 218367798 /nfs/dbraw/zinc/36/77/98/218367798.db2.gz ZIGIZXWOJGLKPK-PBHICJAKSA-N 0 3 342.842 2.306 40 0 EEABHN C[C@@H]1CCC[C@H](NCc2nnc3n2c2ccccc2c(=O)n3C)[C@@H]1C ZINC000032753286 274297057 /nfs/dbraw/zinc/29/70/57/274297057.db2.gz FOCZMTFHIOYUIY-NFAWXSAZSA-N 0 3 339.443 2.496 40 0 EEABHN CNC(=S)N(CCN(C)C)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000004133516 462628327 /nfs/dbraw/zinc/62/83/27/462628327.db2.gz VYYIMYFZYZRXOI-UHFFFAOYSA-N 0 3 346.500 2.013 40 0 EEABHN COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NCc2cccc(OC)c2)cc1 ZINC000077261902 462961241 /nfs/dbraw/zinc/96/12/41/462961241.db2.gz GZYWGPFFGYSCLN-UAFMIMERSA-N 0 3 343.423 2.071 40 0 biogenic,in-vitro EEABHN O=C([C@H]1COC[C@H]2CN(Cc3ccccc3F)C[C@H]21)N1CCCCO1 ZINC000096040792 463145395 /nfs/dbraw/zinc/14/53/95/463145395.db2.gz ZGZIUFMBBZQNPJ-ZACQAIPSSA-N 0 3 348.418 2.074 40 0 EEABHN O=C(NCc1ccco1)[C@H]1CN(Cc2ccsc2)C[C@H]2OCC[C@H]21 ZINC000096041177 463146613 /nfs/dbraw/zinc/14/66/13/463146613.db2.gz KFVRODZJRCIAAS-YESZJQIVSA-N 0 3 346.452 2.494 40 0 EEABHN Cn1cc(CN2CCC3(CC2)C(=O)N(C)C[C@@H]3c2ccccc2)cn1 ZINC000096100283 463172850 /nfs/dbraw/zinc/17/28/50/463172850.db2.gz OGXDSHYKXPGOMV-GOSISDBHSA-N 0 3 338.455 2.258 40 0 EEABHN O=C1[C@@H]2CCN(C3CCCC3)C[C@@H]2OCCN1Cc1cccnc1 ZINC000096107103 463175044 /nfs/dbraw/zinc/17/50/44/463175044.db2.gz RUQVKRYNCKNDSY-MSOLQXFVSA-N 0 3 329.444 2.074 40 0 EEABHN C[C@H]1C[C@@H](Nc2cccc(N3CCN(CC4CC4)CC3)c2)C(=O)O1 ZINC000079029894 463180662 /nfs/dbraw/zinc/18/06/62/463180662.db2.gz LWCWRGQLFUAHHS-KBXCAEBGSA-N 0 3 329.444 2.335 40 0 EEABHN CC(C)N(C)c1cccc(NC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)c1 ZINC000096410760 463243628 /nfs/dbraw/zinc/24/36/28/463243628.db2.gz XQJZQJSEATWDTF-CQSZACIVSA-N 0 3 346.475 2.069 40 0 EEABHN CSC[C@](C)(O)CNC(=O)c1oc2ccccc2c1CN(C)C ZINC000096441018 463266670 /nfs/dbraw/zinc/26/66/70/463266670.db2.gz PGNBPAJHDGVMQV-QGZVFWFLSA-N 0 3 336.457 2.338 40 0 EEABHN CCc1cc(C(=O)N2CCO[C@@H](c3cc(NC)cc(C)n3)C2)on1 ZINC000257287249 463763161 /nfs/dbraw/zinc/76/31/61/463763161.db2.gz PPDMRCXINITCPK-MRXNPFEDSA-N 0 3 330.388 2.196 40 0 EEABHN CNC(=O)c1sc2nc([C@H]3CCCCN3CCOC)ccc2c1N ZINC000257339274 463786587 /nfs/dbraw/zinc/78/65/87/463786587.db2.gz ZAZZKYLLYZYMQS-CYBMUJFWSA-N 0 3 348.472 2.412 40 0 EEABHN CCN1CCC[C@@H](NC(=O)N2CCO[C@H](c3nc(C)cs3)C2)C1 ZINC000194288970 463828321 /nfs/dbraw/zinc/82/83/21/463828321.db2.gz SENNSVGLOZDSTG-KGLIPLIRSA-N 0 3 338.477 2.019 40 0 EEABHN Cc1nscc1C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188070381 464191110 /nfs/dbraw/zinc/19/11/10/464191110.db2.gz IHURXNYGLVTJQL-SFHVURJKSA-N 0 3 345.468 2.161 40 0 EEABHN C[C@@](O)(CN1CCC(OC[C@H]2CCCCO2)CC1)C(F)(F)F ZINC000240871489 464449415 /nfs/dbraw/zinc/44/94/15/464449415.db2.gz IKWPVOHXWMIGOK-ZIAGYGMSSA-N 0 3 325.371 2.350 40 0 EEABHN COCc1nc2n(n1)C[C@@H](NCc1ccc3nc(C)ccc3c1)CC2 ZINC000189381631 464490967 /nfs/dbraw/zinc/49/09/67/464490967.db2.gz FTAALAIYNQHHQZ-INIZCTEOSA-N 0 3 337.427 2.386 40 0 EEABHN CC(C(=O)NC[C@H]1CCCO1)S(=O)(=O)C1CCC(C)(C)CC1 ZINC000330976021 465881366 /nfs/dbraw/zinc/88/13/66/465881366.db2.gz UCHHOLLGNPCBBJ-QWHCGFSZSA-N 0 3 331.478 2.054 40 0 EEABHN CCOc1ccc(CC(=O)NCC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000575606958 468146900 /nfs/dbraw/zinc/14/69/00/468146900.db2.gz NFEOLZIMHOBTPI-SFHVURJKSA-N 0 3 346.471 2.245 40 0 EEABHN CCc1nccn1CCC(=O)N1CCNC[C@@H]1c1ccc(OC)cc1 ZINC000257202842 244123951 /nfs/dbraw/zinc/12/39/51/244123951.db2.gz ANQVLACVJKHVKQ-QGZVFWFLSA-N 0 3 342.443 2.017 40 0 EEABHN CC(=O)N1CC2(CCN(Cc3cncc(C)c3)CC2)C[C@H](O)C1(C)C ZINC000257202786 244125254 /nfs/dbraw/zinc/12/52/54/244125254.db2.gz ANKNEXFGGZLDSR-SFHVURJKSA-N 0 3 345.487 2.364 40 0 EEABHN CN(CCN1CCCCC1)C(=O)c1ccccc1Cn1cccn1 ZINC000019717600 212056963 /nfs/dbraw/zinc/05/69/63/212056963.db2.gz ZWCWWFQXQVUNOX-UHFFFAOYSA-N 0 3 326.444 2.489 40 0 EEABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cc(Br)cs1 ZINC000019575866 212046241 /nfs/dbraw/zinc/04/62/41/212046241.db2.gz SGEGHWMAOBNKPE-ZMLRMANQSA-N 0 3 331.279 2.150 40 0 EEABHN O=C([C@@H](CNCc1cccs1)c1ccccc1)N1CCOCC1 ZINC000078553744 217075014 /nfs/dbraw/zinc/07/50/14/217075014.db2.gz PVMKCKNNQIXLNY-KRWDZBQOSA-N 0 3 330.453 2.480 40 0 EEABHN CC(=O)N1CSC[C@@H]1C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000078771900 217117932 /nfs/dbraw/zinc/11/79/32/217117932.db2.gz XFTITTLWGWGEJK-CZUORRHYSA-N 0 3 349.500 2.153 40 0 EEABHN CCN(C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)[C@H](C)N ZINC000079393132 217218221 /nfs/dbraw/zinc/21/82/21/217218221.db2.gz YMTMCADFYZEUTE-DOTOQJQBSA-N 0 3 347.459 2.231 40 0 EEABHN CCN(C[C@@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)[C@H](C)N ZINC000079393127 217218478 /nfs/dbraw/zinc/21/84/78/217218478.db2.gz ODXNZCXSUHCFBE-RDJZCZTQSA-N 0 3 347.459 2.373 40 0 EEABHN COc1ccccc1CN1CCC(C(=O)N[C@@H]2CCCOC2)CC1 ZINC000012194501 211315250 /nfs/dbraw/zinc/31/52/50/211315250.db2.gz CDLGZQIADKBKGL-QGZVFWFLSA-N 0 3 332.444 2.202 40 0 EEABHN CC(C)CCn1cccc1CN(C)C1CCN(S(C)(=O)=O)CC1 ZINC000091964055 218095928 /nfs/dbraw/zinc/09/59/28/218095928.db2.gz DEMRPOWQJAHPTK-UHFFFAOYSA-N 0 3 341.521 2.390 40 0 EEABHN Cc1csc2nc(CN3CCC[C@H](C4(C)OCCO4)C3)cc(=O)n12 ZINC000097372243 219016644 /nfs/dbraw/zinc/01/66/44/219016644.db2.gz LIHFOWDHLHQTDV-ZDUSSCGKSA-N 0 3 349.456 2.039 40 0 EEABHN Cc1ccsc1CN1C[C@H]2OCC[C@H]2[C@H](C(=O)NCC2CC2)C1 ZINC000096038853 463143784 /nfs/dbraw/zinc/14/37/84/463143784.db2.gz ZJLSAOWWHXMJKB-ARFHVFGLSA-N 0 3 334.485 2.420 40 0 EEABHN COc1ccc(CN2C[C@H]3CN(C(=O)c4cscn4)C[C@@H]3C2)cc1 ZINC000096053938 463156998 /nfs/dbraw/zinc/15/69/98/463156998.db2.gz DBOWIUPJJSLMGW-GJZGRUSLSA-N 0 3 343.452 2.356 40 0 EEABHN COc1ccc(CN2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)cc1 ZINC000096057107 463158113 /nfs/dbraw/zinc/15/81/13/463158113.db2.gz YWOBUXWFGHXAOG-HQRMLTQVSA-N 0 3 344.455 2.297 40 0 EEABHN COCCn1c(=O)ccc2c1CCN(Cc1cc(C)c(C)o1)CC2 ZINC000096196662 463201732 /nfs/dbraw/zinc/20/17/32/463201732.db2.gz CHLUHJSYQKFCMV-UHFFFAOYSA-N 0 3 330.428 2.305 40 0 EEABHN CN(C)CCOCc1cncc2c1CCN(Cc1ccccn1)C2 ZINC000096189339 463202133 /nfs/dbraw/zinc/20/21/33/463202133.db2.gz SPLKKNVGZLHQCA-UHFFFAOYSA-N 0 3 326.444 2.113 40 0 EEABHN O=C(NCc1cnc2n1CCN(Cc1cccs1)CC2)C1CCC1 ZINC000096197058 463202628 /nfs/dbraw/zinc/20/26/28/463202628.db2.gz OGHCSGBMEPTTEF-UHFFFAOYSA-N 0 3 344.484 2.419 40 0 EEABHN Cc1nnc(C[C@@H]2OC[C@H]3CN(Cc4scnc4C)CC[C@H]32)o1 ZINC000096207572 463210429 /nfs/dbraw/zinc/21/04/29/463210429.db2.gz UNDDILQTQZQSAV-MCIONIFRSA-N 0 3 334.445 2.223 40 0 EEABHN Cc1noc(C)c1CN1CCC2(C[C@H](NC(=O)C(C)C)CO2)CC1 ZINC000096220622 463218256 /nfs/dbraw/zinc/21/82/56/463218256.db2.gz BVSHMFWCCKYRMX-HNNXBMFYSA-N 0 3 335.448 2.187 40 0 EEABHN CN(C)CCn1ccc(NC(=O)N2CCO[C@H](c3ccccc3)C2)n1 ZINC000096435365 463263826 /nfs/dbraw/zinc/26/38/26/463263826.db2.gz YXRILKHOKMILTJ-INIZCTEOSA-N 0 3 343.431 2.050 40 0 EEABHN CNC(=O)CCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000096487501 463284744 /nfs/dbraw/zinc/28/47/44/463284744.db2.gz POIMVAISOXZVAJ-UHFFFAOYSA-N 0 3 344.286 2.290 40 0 EEABHN Cc1cc(NC(=O)N[C@@H](C)CN(C)Cc2ccccc2)c[nH]c1=O ZINC000096493146 463288017 /nfs/dbraw/zinc/28/80/17/463288017.db2.gz POXBXIHGDLMPQY-AWEZNQCLSA-N 0 3 328.416 2.325 40 0 EEABHN CN1CCN(C(=O)NC2CCN(C3CC3)CC2)Cc2ccccc21 ZINC000069762490 463320102 /nfs/dbraw/zinc/32/01/02/463320102.db2.gz FVGMBESEMYYHGS-UHFFFAOYSA-N 0 3 328.460 2.275 40 0 EEABHN Cn1nccc1CNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000142207585 463359137 /nfs/dbraw/zinc/35/91/37/463359137.db2.gz GRHXENLNPQLEPB-UHFFFAOYSA-N 0 3 347.488 2.193 40 0 EEABHN CN1CCC(Cc2cccc(F)c2)(C(=O)N2CCCN(C)CC2)CC1 ZINC000257309970 463772626 /nfs/dbraw/zinc/77/26/26/463772626.db2.gz UDCYMMLQUOZFRD-UHFFFAOYSA-N 0 3 347.478 2.244 40 0 EEABHN COc1ccccc1C(=O)N1CC[C@H](c2ncc(CN(C)C)[nH]2)C1 ZINC000257331373 463780865 /nfs/dbraw/zinc/78/08/65/463780865.db2.gz XSPAUOXRTTVOQJ-ZDUSSCGKSA-N 0 3 328.416 2.110 40 0 EEABHN COCCCn1ccc(NC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)n1 ZINC000195530572 464071950 /nfs/dbraw/zinc/07/19/50/464071950.db2.gz SRLJKPHIUUJOIM-HUUCEWRRSA-N 0 3 337.468 2.162 40 0 EEABHN CN(C)c1cnnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000224308097 464150053 /nfs/dbraw/zinc/15/00/53/464150053.db2.gz CHYQJJLOOYECSB-UHFFFAOYSA-N 0 3 345.834 2.158 40 0 EEABHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CC[C@H](Cc2ccccc2)C1 ZINC000245339076 464471029 /nfs/dbraw/zinc/47/10/29/464471029.db2.gz QHZRPLKXQAVOFB-CEXWTWQISA-N 0 3 343.471 2.124 40 0 EEABHN CC[NH+](CC)C[C@@H]1CCC2(CN(C(=O)c3cccc([O-])c3)C2)OC1 ZINC000575403175 468140630 /nfs/dbraw/zinc/14/06/30/468140630.db2.gz FDMPIKUWHKQLMD-HNNXBMFYSA-N 0 3 332.444 2.355 40 0 EEABHN COCc1nnc2n1CCN(Cc1ccc3c(c1)CCC3)[C@H](C)C2 ZINC000585097359 468965473 /nfs/dbraw/zinc/96/54/73/468965473.db2.gz JIMJSDHEJDLZPV-CQSZACIVSA-N 0 3 326.444 2.360 40 0 EEABHN C[C@H](N)C(=O)N(C1CC1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000252517699 524818353 /nfs/dbraw/zinc/81/83/53/524818353.db2.gz OWRKRPGRLYIGNZ-AVGNSLFASA-N 0 3 325.453 2.161 40 0 EEABHN CCOC(=O)c1ccc(CNC(=O)N2CCC[C@H](N(C)C)C2)cc1 ZINC000171658832 528214834 /nfs/dbraw/zinc/21/48/34/528214834.db2.gz OFUJCDZJUSNSRU-INIZCTEOSA-N 0 3 333.432 2.099 40 0 EEABHN CCN1C(=O)CC[C@@H](C(=O)N(C)CCN(C)C)[C@@H]1c1ccccc1F ZINC000257211322 535426976 /nfs/dbraw/zinc/42/69/76/535426976.db2.gz BYLNXYHKIAMAPK-QAPCUYQASA-N 0 3 349.450 2.145 40 0 EEABHN CCOc1ccccc1CN1CCC(C(=O)NC(C)(C)CO)CC1 ZINC000199402376 1406142841 /nfs/dbraw/zinc/14/28/41/1406142841.db2.gz JFRSNTXAJGYVIB-UHFFFAOYSA-N 0 3 334.460 2.184 40 0 EEABHN CCN(C(=O)OCc1ccccc1)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000100177852 219093162 /nfs/dbraw/zinc/09/31/62/219093162.db2.gz NHTHNWKUPBLWCD-IYBDPMFKSA-N 0 3 333.432 2.031 40 0 EEABHN CN(C)C(=O)c1c[nH]nc1C1(C)CCN(Cc2ccncc2)CC1 ZINC000072388870 216190004 /nfs/dbraw/zinc/19/00/04/216190004.db2.gz CZOCQXPFLJPROM-UHFFFAOYSA-N 0 3 327.432 2.060 40 0 EEABHN CC(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CCc3c[nH]nc3C2)cc1 ZINC000236776943 242354206 /nfs/dbraw/zinc/35/42/06/242354206.db2.gz RPOAOYGCQJJENH-WBVHZDCISA-N 0 3 326.444 2.454 40 0 EEABHN C[C@@H](CC(=O)NCCN1CCC(C)CC1)n1nnc2ccccc21 ZINC000019496902 212032276 /nfs/dbraw/zinc/03/22/76/212032276.db2.gz VTRQDSXVDHGMAD-HNNXBMFYSA-N 0 3 329.448 2.231 40 0 EEABHN O=C(c1cccc(F)c1)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019293593 212012681 /nfs/dbraw/zinc/01/26/81/212012681.db2.gz WBCSWHRWIKZLHW-MRXNPFEDSA-N 0 3 326.375 2.239 40 0 EEABHN CCCn1nc(C(=O)Nc2cnccc2N2CCCCC2)ccc1=O ZINC000079041054 217179698 /nfs/dbraw/zinc/17/96/98/217179698.db2.gz IEUDSXCLVREXKJ-UHFFFAOYSA-N 0 3 341.415 2.291 40 0 EEABHN c1ccc2c(c1)CCCN2CCN1CCN(C[C@@H]2CCOC2)CC1 ZINC000090551868 132822395 /nfs/dbraw/zinc/82/23/95/132822395.db2.gz RBBSXQYVYMKUNG-SFHVURJKSA-N 0 3 329.488 2.093 40 0 EEABHN C[C@H]1CN(C)CCN1CC1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000085468120 462548457 /nfs/dbraw/zinc/54/84/57/462548457.db2.gz VKKFNYZAFMGTJI-HNNXBMFYSA-N 0 3 333.451 2.314 40 0 EEABHN CN(C)c1ccccc1CN1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000075641999 462744521 /nfs/dbraw/zinc/74/45/21/462744521.db2.gz INKLAPIKFHKETF-MRXNPFEDSA-N 0 3 339.505 2.046 40 0 EEABHN CN(C)C[C@H]1CSCCCN1C(=O)NCc1ccc(F)cc1 ZINC000090608941 462802443 /nfs/dbraw/zinc/80/24/43/462802443.db2.gz ZQUVNFYRFQRFBX-HNNXBMFYSA-N 0 3 325.453 2.404 40 0 EEABHN CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(C3CCC3)C[C@@H]2O1 ZINC000096043268 463147673 /nfs/dbraw/zinc/14/76/73/463147673.db2.gz DLQOMKMXVCDXKX-QGTPRVQTSA-N 0 3 329.444 2.072 40 0 EEABHN Cc1cccc(CO[C@H]2C[C@@H]3CN(Cc4cccnc4)CCN3C2)n1 ZINC000096055099 463156892 /nfs/dbraw/zinc/15/68/92/463156892.db2.gz JHSKCFRKXVGIKY-UXHICEINSA-N 0 3 338.455 2.260 40 0 EEABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21)NCC1CC1 ZINC000096057168 463157953 /nfs/dbraw/zinc/15/79/53/463157953.db2.gz QAYOXTBJJJXYPB-LMMKCTJWSA-N 0 3 346.446 2.436 40 0 EEABHN Cc1ccc(CN2CCC3(CC2)[C@H](c2cnn(C)c2)CC(=O)N3C)o1 ZINC000096061518 463160975 /nfs/dbraw/zinc/16/09/75/463160975.db2.gz UTSALGOXORAIAW-KRWDZBQOSA-N 0 3 342.443 2.302 40 0 EEABHN O=C([C@@H]1CCO[C@@H]2CCN(Cc3ccco3)C[C@H]21)N1CCCCO1 ZINC000096066351 463164968 /nfs/dbraw/zinc/16/49/68/463164968.db2.gz ZLYQLFLVNALXIL-IXDOHACOSA-N 0 3 334.416 2.061 40 0 EEABHN O=C(c1ccco1)N1CC[C@@H]2O[C@H](COCCN3CCCC3)CC[C@@H]21 ZINC000096186094 463197901 /nfs/dbraw/zinc/19/79/01/463197901.db2.gz KHFGQAHDDSUPOT-ULQDDVLXSA-N 0 3 348.443 2.154 40 0 EEABHN CCO[C@@H]1CCN(Cc2ccc3c(c2)OCO3)[C@@H]1Cc1cnn(C)c1 ZINC000096200625 463206053 /nfs/dbraw/zinc/20/60/53/463206053.db2.gz LLMRHCWQVKJWMD-IAGOWNOFSA-N 0 3 343.427 2.371 40 0 EEABHN Cc1noc(C)c1CN1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC000096239149 463224898 /nfs/dbraw/zinc/22/48/98/463224898.db2.gz GXRMQXKGTPVSTQ-SFHVURJKSA-N 0 3 326.400 2.315 40 0 EEABHN C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCC(=O)N1CCC1 ZINC000096405360 463239016 /nfs/dbraw/zinc/23/90/16/463239016.db2.gz VMSHJFNRXAGLTP-RDTXWAMCSA-N 0 3 339.480 2.282 40 0 EEABHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1CC=C(c2cccs2)CC1 ZINC000096410473 463243659 /nfs/dbraw/zinc/24/36/59/463243659.db2.gz LDCPQUVCQGRLHS-CVEARBPZSA-N 0 3 347.484 2.410 40 0 EEABHN CN(C)CCOc1ccccc1N1CCN(C(=O)c2ccoc2)CC1 ZINC000096414153 463247006 /nfs/dbraw/zinc/24/70/06/463247006.db2.gz QFQIKTSNNPAWPP-UHFFFAOYSA-N 0 3 343.427 2.182 40 0 EEABHN CC(C)[C@@H](C)NC(=O)C1CCN(CCOC[C@H]2CCCO2)CC1 ZINC000096421094 463251401 /nfs/dbraw/zinc/25/14/01/463251401.db2.gz SRLNVRPZGQSRCR-NVXWUHKLSA-N 0 3 326.481 2.055 40 0 EEABHN C[C@H](C(=O)NCCCc1nnc2n1CCCCC2)N1CCCCCC1 ZINC000096436317 463263199 /nfs/dbraw/zinc/26/31/99/463263199.db2.gz LYVGRFFMXMNQFK-MRXNPFEDSA-N 0 3 347.507 2.318 40 0 EEABHN CC(C)N(C)S(=O)(=O)c1ccc(CN[C@H]2CCSC2)cc1 ZINC000096476690 463280500 /nfs/dbraw/zinc/28/05/00/463280500.db2.gz FZNVIPZUWPMNBB-AWEZNQCLSA-N 0 3 328.503 2.311 40 0 EEABHN O[C@@H](Cn1ccc(C(F)(F)F)n1)CN1CCc2ccccc2C1 ZINC000096484748 463283879 /nfs/dbraw/zinc/28/38/79/463283879.db2.gz QRDXTCPBKIJXTB-CQSZACIVSA-N 0 3 325.334 2.321 40 0 EEABHN CCN1CCC(NC(=O)N2CCO[C@H](Cc3ccccc3)C2)CC1 ZINC000096494023 463287797 /nfs/dbraw/zinc/28/77/97/463287797.db2.gz XNQSVHPWMCVZCT-GOSISDBHSA-N 0 3 331.460 2.124 40 0 EEABHN O=C(c1ccccc1)N1CCC[C@@H]1c1cccnc1N1CCNCC1 ZINC000072216349 463484447 /nfs/dbraw/zinc/48/44/47/463484447.db2.gz XIHCIPWRAUNSIR-GOSISDBHSA-N 0 3 336.439 2.469 40 0 EEABHN O=C(CC1CCCC1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257304220 463770897 /nfs/dbraw/zinc/77/08/97/463770897.db2.gz SKOOXLDSSPYVSA-MRXNPFEDSA-N 0 3 330.419 2.261 40 0 EEABHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000329637591 465394449 /nfs/dbraw/zinc/39/44/49/465394449.db2.gz AJTBVOMYMXVITA-ZBRFXRBCSA-N 0 3 343.533 2.463 40 0 EEABHN Cc1[nH]ncc1CNC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000298670222 465467601 /nfs/dbraw/zinc/46/76/01/465467601.db2.gz GJLAPHQSZOAYRH-UHFFFAOYSA-N 0 3 347.850 2.399 40 0 EEABHN COc1ccc(C(=O)NCC2CCN([C@@H]3CCOC3)CC2)cc1F ZINC000575415638 468143548 /nfs/dbraw/zinc/14/35/48/468143548.db2.gz KPOWNCZFBXSFBG-OAHLLOKOSA-N 0 3 336.407 2.065 40 0 EEABHN COCc1nnc2n1CCN(Cc1ccc3c(c1)CCC3)[C@@H](C)C2 ZINC000585097358 468965825 /nfs/dbraw/zinc/96/58/25/468965825.db2.gz JIMJSDHEJDLZPV-AWEZNQCLSA-N 0 3 326.444 2.360 40 0 EEABHN CCCCN1CCC[C@@]2(CC(C(=O)N3CC(F)(C4CC4)C3)=NO2)C1 ZINC000585101154 468969377 /nfs/dbraw/zinc/96/93/77/468969377.db2.gz JZXUJGVOAKMPFH-QGZVFWFLSA-N 0 3 337.439 2.358 40 0 EEABHN COC[C@]1(CC(=O)N(C)C)CCCN1Cc1c[nH]nc1C(C)(C)C ZINC000585278054 469003360 /nfs/dbraw/zinc/00/33/60/469003360.db2.gz PTCMYYZAYRFZHZ-GOSISDBHSA-N 0 3 336.480 2.167 40 0 EEABHN Cc1cc(C)n2nc(SCCCN3CCN(C(C)C)CC3)nc2n1 ZINC000188183147 534127887 /nfs/dbraw/zinc/12/78/87/534127887.db2.gz ZVUQKWPDMPCUTQ-UHFFFAOYSA-N 0 3 348.520 2.249 40 0 EEABHN CN(C)Cc1ccc([C@@H]2CCCN2C(=O)CCCn2ccnc2)nc1 ZINC000257296806 536020766 /nfs/dbraw/zinc/02/07/66/536020766.db2.gz RELZXJPIWCMBRK-SFHVURJKSA-N 0 3 341.459 2.484 40 0 EEABHN CSCC[C@H](N)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000040464468 213308160 /nfs/dbraw/zinc/30/81/60/213308160.db2.gz JJJKLMXAHPPEJF-LBPRGKRZSA-N 0 3 347.937 2.126 40 0 EEABHN CN(C)CCOc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)ccn1 ZINC000183085271 234889199 /nfs/dbraw/zinc/88/91/99/234889199.db2.gz JUZFPTASYGJUJE-CYBMUJFWSA-N 0 3 345.365 2.437 40 0 EEABHN CCN(C(=O)[C@@H](N)C(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391430 217219255 /nfs/dbraw/zinc/21/92/55/217219255.db2.gz ZCTYEPSIYOIOMY-KGLIPLIRSA-N 0 3 327.469 2.218 40 0 EEABHN CC(C)[C@H](N)C(=O)N(C1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391488 217218871 /nfs/dbraw/zinc/21/88/71/217218871.db2.gz HMZAZXPRNQMFLV-CABCVRRESA-N 0 3 339.480 2.360 40 0 EEABHN NC(=O)[C@H]1CCCN(Cc2cccc(NC(=O)C3=COCCC3)c2)C1 ZINC000095393214 218325212 /nfs/dbraw/zinc/32/52/12/218325212.db2.gz JYOPDUROXDHVKI-HNNXBMFYSA-N 0 3 343.427 2.017 40 0 EEABHN CC(C)[C@H](C(=O)N1CCC(O[C@H]2CCOC2)CC1)N1CCCCC1 ZINC000096450872 218834431 /nfs/dbraw/zinc/83/44/31/218834431.db2.gz RXISYEQTSWTVMN-ZWKOTPCHSA-N 0 3 338.492 2.293 40 0 EEABHN Cc1nc2ccccc2n1CCNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000097376110 219019493 /nfs/dbraw/zinc/01/94/93/219019493.db2.gz SXOHCPOZPLNKRR-GOSISDBHSA-N 0 3 326.444 2.335 40 0 EEABHN COCc1noc(CN2CCN(C[C@@H]3C(C)=CCC[C@H]3C)CC2)n1 ZINC000191133751 274054465 /nfs/dbraw/zinc/05/44/65/274054465.db2.gz KOMBCTYHOQQWLO-HZPDHXFCSA-N 0 3 334.464 2.326 40 0 EEABHN CC(C)[C@H](N)C(=O)N(C(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391449 277902323 /nfs/dbraw/zinc/90/23/23/277902323.db2.gz NBTXKAYNSBMSHB-KGLIPLIRSA-N 0 3 327.469 2.216 40 0 EEABHN CN(C)C[C@@H]1CCCCN1C(=O)c1cc(OCC(F)F)ccn1 ZINC000097233163 323321185 /nfs/dbraw/zinc/32/11/85/323321185.db2.gz NWTAVERYGNSYPG-LBPRGKRZSA-N 0 3 327.375 2.282 40 0 EEABHN COc1ccc(OCc2n[nH]c([C@@H](N)c3ccc(OC)cc3)n2)cc1 ZINC000095533690 463107342 /nfs/dbraw/zinc/10/73/42/463107342.db2.gz QPWKSYZGAIJUSA-KRWDZBQOSA-N 0 3 340.383 2.449 40 0 EEABHN O=C(c1cnccn1)N1CC[C@@H]2CN(Cc3ccsc3)C[C@@H]2C1 ZINC000096054153 463155832 /nfs/dbraw/zinc/15/58/32/463155832.db2.gz DIMKGYOKTGHYFN-HUUCEWRRSA-N 0 3 328.441 2.132 40 0 EEABHN COc1ccc2nc(CO[C@H]3CN(C4CCOCC4)C[C@H]3F)[nH]c2c1 ZINC000096112267 463180401 /nfs/dbraw/zinc/18/04/01/463180401.db2.gz XLKXJJDLHZLGHR-PBHICJAKSA-N 0 3 349.406 2.289 40 0 biogenic,in-vitro EEABHN COc1ccccc1CN1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)NC2CC2)C1 ZINC000096208358 463212001 /nfs/dbraw/zinc/21/20/01/463212001.db2.gz CNEJWQMTPYFXSB-SUMDDJOVSA-N 0 3 344.455 2.201 40 0 EEABHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000096439873 463266236 /nfs/dbraw/zinc/26/62/36/463266236.db2.gz QHZRPLKXQAVOFB-IPMKNSEASA-N 0 3 343.471 2.124 40 0 EEABHN CC[C@@H](NCc1cccc(NC(=O)CN(C)C)c1)c1cnn(C)c1 ZINC000097228275 463351365 /nfs/dbraw/zinc/35/13/65/463351365.db2.gz YYCUNRGWWKNQFJ-QGZVFWFLSA-N 0 3 329.448 2.161 40 0 EEABHN COCCN1CC[C@@H]2O[C@H](COCc3csc(C)n3)CC[C@@H]21 ZINC000107205172 463561045 /nfs/dbraw/zinc/56/10/45/463561045.db2.gz FYLIPTCNVPLFHJ-JYJNAYRXSA-N 0 3 326.462 2.236 40 0 EEABHN CN1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)CCC(N)=O ZINC000257300860 463769056 /nfs/dbraw/zinc/76/90/56/463769056.db2.gz RVYXMGZKTNCCBN-YESZJQIVSA-N 0 3 329.444 2.078 40 0 EEABHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cccc(O)c1 ZINC000188173655 464215100 /nfs/dbraw/zinc/21/51/00/464215100.db2.gz YBDKVIDAUOJWPL-FQEVSTJZSA-N 0 3 340.423 2.101 40 0 EEABHN Cc1cc(CN2CC3(C2)C[C@H](COc2ccccn2)CCN3C)no1 ZINC000248105860 464730082 /nfs/dbraw/zinc/73/00/82/464730082.db2.gz FUQCDNJMVRWKBB-MRXNPFEDSA-N 0 3 342.443 2.353 40 0 EEABHN CCN1CC[C@]2(C1)CN(Cc1ccco1)Cc1cnc(N(C)C)nc12 ZINC000306140618 466493236 /nfs/dbraw/zinc/49/32/36/466493236.db2.gz UZATXURRXWZPNJ-IBGZPJMESA-N 0 3 341.459 2.115 40 0 EEABHN CCn1nc(C)c(C(=O)NCC2(N3CCCCC3)CCOCC2)c1C ZINC000600520865 468580379 /nfs/dbraw/zinc/58/03/79/468580379.db2.gz DDBLEFNJLNIAAB-UHFFFAOYSA-N 0 3 348.491 2.285 40 0 EEABHN Cc1cc(F)ccc1CC(=O)N1Cc2ccnn2CC[C@@H]1CN(C)C ZINC000585098536 468967094 /nfs/dbraw/zinc/96/70/94/468967094.db2.gz ZFKISVVWPOHCOJ-QGZVFWFLSA-N 0 3 344.434 2.236 40 0 EEABHN Cc1nc2ccccn2c1CNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000895627901 684668747 /nfs/dbraw/zinc/66/87/47/684668747.db2.gz SOGPMGOKITXLOO-CQSZACIVSA-N 0 3 329.448 2.315 40 0 EEABHN CNC(=O)c1ccc(CN(C)C(=O)[C@H](N)CC2CCCCC2)cc1 ZINC000261624992 779505011 /nfs/dbraw/zinc/50/50/11/779505011.db2.gz GPKQQGWLYNUTPT-QGZVFWFLSA-N 0 3 331.460 2.302 40 0 EEABHN Cc1ccc(Oc2nccnc2C2CCN(C(=O)CN)CC2)cc1 ZINC000072363212 216170594 /nfs/dbraw/zinc/17/05/94/216170594.db2.gz LKMXJLLLQVANER-UHFFFAOYSA-N 0 3 326.400 2.242 40 0 EEABHN CN(C)Cc1cnc(CC2CCN(Cc3ccncc3)CC2)cn1 ZINC000257212949 244156042 /nfs/dbraw/zinc/15/60/42/244156042.db2.gz CFNYNNMYTMPCQK-UHFFFAOYSA-N 0 3 325.460 2.388 40 0 EEABHN Cn1cncc1CN1CCC2(C[C@@H](Cc3cccnc3)CO2)CC1 ZINC000257220388 244180892 /nfs/dbraw/zinc/18/08/92/244180892.db2.gz DKPXEYIACYAKBB-QGZVFWFLSA-N 0 3 326.444 2.429 40 0 EEABHN C[C@H](c1ccccc1)N1CCC(NC(=O)c2ccc(=O)[nH]n2)CC1 ZINC000019459449 212029967 /nfs/dbraw/zinc/02/99/67/212029967.db2.gz BMHZHQATQJEHSC-CYBMUJFWSA-N 0 3 326.400 2.138 40 0 EEABHN COc1cccc(CN2CCC(O)(Cn3ccnc3C)CC2)c1OC ZINC000019287997 212011068 /nfs/dbraw/zinc/01/10/68/212011068.db2.gz UXUGGCDVXFBBOI-UHFFFAOYSA-N 0 3 345.443 2.236 40 0 EEABHN CC(C)[C@H](N)C(=O)NC[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079393256 217218907 /nfs/dbraw/zinc/21/89/07/217218907.db2.gz GDUJSDAPIMNRJY-SJORKVTESA-N 0 3 347.459 2.135 40 0 EEABHN C[C@H](N)C(=O)N1CCCC[C@H]1CN(C(=O)OC(C)(C)C)C1CC1 ZINC000079409914 217221860 /nfs/dbraw/zinc/22/18/60/217221860.db2.gz HCILIKGUFDWUSQ-JSGCOSHPSA-N 0 3 325.453 2.114 40 0 EEABHN O=C(OCc1ccccc1)N(CC1CCN(CCO)CC1)C1CC1 ZINC000079411307 217222104 /nfs/dbraw/zinc/22/21/04/217222104.db2.gz NDFSNUFGWYGNRL-UHFFFAOYSA-N 0 3 332.444 2.492 40 0 EEABHN COc1cccc([C@@H]2C[NH2+]C[C@H]2c2cc(=O)[n-]c(NC3CC3)n2)c1 ZINC000012163812 211310250 /nfs/dbraw/zinc/31/02/50/211310250.db2.gz JHSNQPRYLMAVFQ-LSDHHAIUSA-N 0 3 326.400 2.236 40 0 EEABHN CCOC(=O)C1=C([O-])NC(N2CCCCC2)=[NH+][C@H]1c1ccccc1C ZINC000010339382 211166795 /nfs/dbraw/zinc/16/67/95/211166795.db2.gz URZFWAUOEZFTID-CVEARBPZSA-N 0 3 343.427 2.187 40 0 EEABHN COc1cccc(CN2CCC(C(=O)Nc3ncccn3)CC2)c1 ZINC000095431555 218373791 /nfs/dbraw/zinc/37/37/91/218373791.db2.gz DRRNOCVVKQCGDV-UHFFFAOYSA-N 0 3 326.400 2.336 40 0 EEABHN COc1cccc2c1nc(NC(=O)[C@@H](C1CC1)N1CCCC1)n2C ZINC000274616608 269041478 /nfs/dbraw/zinc/04/14/78/269041478.db2.gz OWFAGCHRHFJVNN-MRXNPFEDSA-N 0 3 328.416 2.395 40 0 EEABHN CO[C@H]1CCN(Cc2ccco2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096109456 274080296 /nfs/dbraw/zinc/08/02/96/274080296.db2.gz MXYIANINQVHVQR-OTWHNJEPSA-N 0 3 327.428 2.396 40 0 EEABHN C[C@H](N)C(=O)N(C1CC1)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079391360 298944801 /nfs/dbraw/zinc/94/48/01/298944801.db2.gz IGBIOXWDAXCXNG-YUTCNCBUSA-N 0 3 325.453 2.161 40 0 EEABHN COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](CN(C)C)O3)no2)cc1 ZINC000077263332 462961069 /nfs/dbraw/zinc/96/10/69/462961069.db2.gz KZNHTOQYOQIHHB-JENIJYKNSA-N 0 3 346.427 2.363 40 0 biogenic,in-vitro EEABHN N=C1Nc2nc(=O)c3ccccc3n2[C@H](c2c[nH]c3ccccc32)N1 ZINC000022241453 463046571 /nfs/dbraw/zinc/04/65/71/463046571.db2.gz QFSYSJCJHSSVML-OAHLLOKOSA-N 0 3 330.351 2.165 40 0 EEABHN Cc1ccoc1C(=O)N1CCO[C@H]2[C@H](OCCN3CCCC3)CC[C@@H]21 ZINC000096041628 463146238 /nfs/dbraw/zinc/14/62/38/463146238.db2.gz HWFGHSQGXQTTIM-LZLYRXPVSA-N 0 3 348.443 2.072 40 0 EEABHN CN(C)C(=O)N[C@@H]1COCCC12CCN(Cc1ccsc1)CC2 ZINC000096215837 463213315 /nfs/dbraw/zinc/21/33/15/463213315.db2.gz LPFRVPMSNXLBSW-OAHLLOKOSA-N 0 3 337.489 2.390 40 0 EEABHN COC[C@@H]1C(=O)NCC12CCN(Cc1ccc3ccccc3n1)CC2 ZINC000096216374 463214868 /nfs/dbraw/zinc/21/48/68/463214868.db2.gz IYBRYFJRPRKWHQ-QGZVFWFLSA-N 0 3 339.439 2.209 40 0 EEABHN O=C(NCC[C@@]12CCO[C@@H]1CCN(Cc1ccoc1)C2)c1ccno1 ZINC000096216372 463215319 /nfs/dbraw/zinc/21/53/19/463215319.db2.gz FJOTTYMTFALVCO-AEFFLSMTSA-N 0 3 345.399 2.069 40 0 EEABHN CC1CCN(c2ccc3ccc(C(=O)NCCN(C)C)cn32)CC1 ZINC000096264099 463231887 /nfs/dbraw/zinc/23/18/87/463231887.db2.gz RMILLEDVOBIANK-UHFFFAOYSA-N 0 3 328.460 2.467 40 0 EEABHN C[C@H](NCCCN1CCN(c2ccccc2F)CC1)c1cnn(C)c1 ZINC000096477361 463280494 /nfs/dbraw/zinc/28/04/94/463280494.db2.gz FFONHIWDFBZONT-INIZCTEOSA-N 0 3 345.466 2.422 40 0 EEABHN CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CCC[C@@H](C2CC2)C1 ZINC000096499789 463290192 /nfs/dbraw/zinc/29/01/92/463290192.db2.gz YYZLYUARFCOPRF-QZTJIDSGSA-N 0 3 336.524 2.234 40 0 EEABHN CN(C(=O)c1ccc(NC(=O)c2ccon2)cc1)[C@H]1CCCN(C)C1 ZINC000151765809 463587280 /nfs/dbraw/zinc/58/72/80/463587280.db2.gz VNVVIXRPOYCRNT-HNNXBMFYSA-N 0 3 342.399 2.093 40 0 EEABHN COc1cccc(CN2CCC3(CC(Nc4ncccn4)C3)C2)n1 ZINC000108526866 463610020 /nfs/dbraw/zinc/61/00/20/463610020.db2.gz TUCMLTBSKMDTNM-UHFFFAOYSA-N 0 3 325.416 2.347 40 0 EEABHN C[C@@H](Sc1nc[nH]n1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000073577008 463627813 /nfs/dbraw/zinc/62/78/13/463627813.db2.gz QIKPASOTHKYEAD-CYBMUJFWSA-N 0 3 345.472 2.066 40 0 EEABHN CSC[C@@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000073909380 463669419 /nfs/dbraw/zinc/66/94/19/463669419.db2.gz CDXYVUMKGIISTR-QGZVFWFLSA-N 0 3 347.528 2.410 40 0 EEABHN Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCCN2C2CCN(C)CC2)n1 ZINC000257263031 463757947 /nfs/dbraw/zinc/75/79/47/463757947.db2.gz LOBWXLLAJAYHJG-INIZCTEOSA-N 0 3 326.448 2.406 40 0 EEABHN Cc1nc(C[C@H]2CCCN(Cc3ccccc3F)C2)cc(C(N)=O)n1 ZINC000257297644 463767255 /nfs/dbraw/zinc/76/72/55/463767255.db2.gz RIGKHSGZGFQNAW-CQSZACIVSA-N 0 3 342.418 2.478 40 0 EEABHN CN(C)C(=O)CN1CCC2(CO[C@@H](Cc3ccccc3F)C2)CC1 ZINC000257299757 463769307 /nfs/dbraw/zinc/76/93/07/463769307.db2.gz RRLYZVMYBVGNHO-INIZCTEOSA-N 0 3 334.435 2.328 40 0 EEABHN CN(C)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(=O)CC1CCCC1 ZINC000257326069 463779750 /nfs/dbraw/zinc/77/97/50/463779750.db2.gz WVRFSSLPLCIYBX-JYBIWHBTSA-N 0 3 346.471 2.194 40 0 EEABHN CC(C)N(C)C(=O)C1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000195544206 464074463 /nfs/dbraw/zinc/07/44/63/464074463.db2.gz MANJIERHCLCIMK-KRWDZBQOSA-N 0 3 331.460 2.182 40 0 EEABHN Cc1ccc(C2CC(NCC3(S(C)(=O)=O)CCOCC3)C2)cc1 ZINC000195558825 464076084 /nfs/dbraw/zinc/07/60/84/464076084.db2.gz ULVZVDREWXWDHW-UHFFFAOYSA-N 0 3 337.485 2.424 40 0 EEABHN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCN(C)C)c1 ZINC000224304851 464149481 /nfs/dbraw/zinc/14/94/81/464149481.db2.gz UGYVCOWUWPTKEX-LGMDPLHJSA-N 0 3 341.411 2.037 40 0 EEABHN CC[C@@H]1CN(C(=O)c2ccncc2F)[C@H](CC)CN1CC(C)(C)O ZINC000225427198 464160237 /nfs/dbraw/zinc/16/02/37/464160237.db2.gz QSLKVQKCUFPYLY-ZIAGYGMSSA-N 0 3 337.439 2.307 40 0 EEABHN CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000242547881 464457273 /nfs/dbraw/zinc/45/72/73/464457273.db2.gz KXKOVSZCDFQOAD-ULQDDVLXSA-N 0 3 347.459 2.324 40 0 EEABHN CC(C)(C)c1ncc(/C=C/C(=O)NC[C@H]2CN3CCC[C@H]3CO2)s1 ZINC000245289887 464470354 /nfs/dbraw/zinc/47/03/54/464470354.db2.gz FXGDFCKNNRWKCW-AGKLADILSA-N 0 3 349.500 2.433 40 0 EEABHN COCc1nc2n(n1)C[C@@H](N[C@@H]1CCCOc3cc(F)ccc31)CC2 ZINC000182151348 464584630 /nfs/dbraw/zinc/58/46/30/464584630.db2.gz JIMJYIDSMLTCPB-DZGCQCFKSA-N 0 3 346.406 2.382 40 0 EEABHN C(O[C@H]1CSC2(CN(CC3CCOCC3)C2)C1)C1CCOCC1 ZINC000247824340 464708156 /nfs/dbraw/zinc/70/81/56/464708156.db2.gz FCRQZBZKMMNGAC-QGZVFWFLSA-N 0 3 341.517 2.416 40 0 EEABHN Cc1ccc(CN2CCN3C[C@@H](OCc4ccccn4)C[C@H]3C2)o1 ZINC000248061457 464726742 /nfs/dbraw/zinc/72/67/42/464726742.db2.gz DAQCBLTXJHHDTH-HKUYNNGSSA-N 0 3 327.428 2.458 40 0 EEABHN CCCn1cc(C(=O)NCC2(N3CCCCC3)CCOCC2)cn1 ZINC000183102240 464796842 /nfs/dbraw/zinc/79/68/42/464796842.db2.gz KLKFIICETLZNSI-UHFFFAOYSA-N 0 3 334.464 2.058 40 0 EEABHN Cc1ccccc1CN1C[C@H]2OC[C@H](CNC(=O)c3ccco3)[C@H]2C1 ZINC000306135315 466492087 /nfs/dbraw/zinc/49/20/87/466492087.db2.gz ONLOXMOFPHLBMZ-YQVWRLOYSA-N 0 3 340.423 2.465 40 0 EEABHN COC[C@H]1CCN(CC2CC2)C2(CN(C(=O)c3cccc(O)c3)C2)C1 ZINC000575403460 468140780 /nfs/dbraw/zinc/14/07/80/468140780.db2.gz LHEIGNXPPZSJNY-INIZCTEOSA-N 0 3 344.455 2.355 40 0 EEABHN Cc1ccc([C@@H](CN[C@H]2CCCc3nn(C)cc32)N2CCOCC2)o1 ZINC000684554214 485924522 /nfs/dbraw/zinc/92/45/22/485924522.db2.gz ZDZVERMZVLODLZ-FUHWJXTLSA-N 0 3 344.459 2.362 40 0 EEABHN COCCN1CCC(NC(=O)Cn2cc(C)c3ccccc32)CC1 ZINC000050612084 214062698 /nfs/dbraw/zinc/06/26/98/214062698.db2.gz UXKOCMHXNNIDGG-UHFFFAOYSA-N 0 3 329.444 2.177 40 0 EEABHN CCN(C(=O)[C@H](C)N)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000100178028 219093098 /nfs/dbraw/zinc/09/30/98/219093098.db2.gz BRMKABLDJUJTOG-BHYGNILZSA-N 0 3 347.459 2.420 40 0 EEABHN CNCC(=O)N1CCC(c2nccnc2Oc2ccccc2)CC1 ZINC000072363288 216169980 /nfs/dbraw/zinc/16/99/80/216169980.db2.gz SOLKGBXGMWMDKF-UHFFFAOYSA-N 0 3 326.400 2.194 40 0 EEABHN CN(C)CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCO1 ZINC000072371179 216177419 /nfs/dbraw/zinc/17/74/19/216177419.db2.gz MOXUCPBLTCVBDX-IBGZPJMESA-N 0 3 343.427 2.111 40 0 EEABHN CNCC(=O)N1CCC[C@H]1c1cncc(Oc2ccc(F)cc2)n1 ZINC000072384516 216185434 /nfs/dbraw/zinc/18/54/34/216185434.db2.gz HUHJRFHSKFRUKQ-HNNXBMFYSA-N 0 3 330.363 2.291 40 0 EEABHN Cc1cc(CNC[C@@](C)(O)c2cnn(C)c2)ccc1Br ZINC000072738780 216302580 /nfs/dbraw/zinc/30/25/80/216302580.db2.gz XOPJPKFXCRRFTB-OAHLLOKOSA-N 0 3 338.249 2.488 40 0 EEABHN COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3N2CCO)c1 ZINC000257243684 244250586 /nfs/dbraw/zinc/25/05/86/244250586.db2.gz IICQTPHTFLDJJN-LNLFQRSKSA-N 0 3 332.444 2.252 40 0 EEABHN Cc1cc(CCC(=O)NCC2(C)COC2)cc([C@H]2CCCN2C)n1 ZINC000257240485 244241317 /nfs/dbraw/zinc/24/13/17/244241317.db2.gz HTRZMGZPVMPWLN-QGZVFWFLSA-N 0 3 331.460 2.242 40 0 EEABHN COc1cccc(C[C@H]2CC3(CO2)CCN(C(=O)C(C)(C)N)CC3)c1 ZINC000257273908 244386046 /nfs/dbraw/zinc/38/60/46/244386046.db2.gz NISKDEOYKRCCRB-KRWDZBQOSA-N 0 3 346.471 2.373 40 0 EEABHN Cc1cc(CN(C)C(=O)CC2CCN(Cc3ccccn3)CC2)n[nH]1 ZINC000019748881 212062103 /nfs/dbraw/zinc/06/21/03/212062103.db2.gz VJJOBKMPCXVQQL-UHFFFAOYSA-N 0 3 341.459 2.374 40 0 EEABHN C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cc(Br)cs1 ZINC000019575226 212045874 /nfs/dbraw/zinc/04/58/74/212045874.db2.gz SGEGHWMAOBNKPE-ADEWGFFLSA-N 0 3 331.279 2.150 40 0 EEABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccc(Br)s1 ZINC000019575938 212045070 /nfs/dbraw/zinc/04/50/70/212045070.db2.gz RHEPKIMUQVGUOC-GARJFASQSA-N 0 3 331.279 2.150 40 0 EEABHN O=C(c1cccc(F)c1)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019293591 212012762 /nfs/dbraw/zinc/01/27/62/212012762.db2.gz WBCSWHRWIKZLHW-INIZCTEOSA-N 0 3 326.375 2.239 40 0 EEABHN O=C(Nc1cnccc1N1CCCCC1)c1ccnc(-n2cncn2)c1 ZINC000079041088 217180083 /nfs/dbraw/zinc/18/00/83/217180083.db2.gz RIWCYTWSQJZBGF-UHFFFAOYSA-N 0 3 349.398 2.300 40 0 EEABHN C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1N(C(=O)OC(C)(C)C)C1CC1 ZINC000079409950 217222086 /nfs/dbraw/zinc/22/20/86/217222086.db2.gz RHLFUOVDQAIGMZ-IACUBPJLSA-N 0 3 325.453 2.161 40 0 EEABHN COC[C@H]1C(=O)N(CC2CC2)CC12CCN(Cc1ccncc1)CC2 ZINC000096206422 277603712 /nfs/dbraw/zinc/60/37/12/277603712.db2.gz QKQPUQBIUABNCK-SFHVURJKSA-N 0 3 343.471 2.179 40 0 EEABHN CN(C)CCOC[C@@H]1Cn2ccnc2CN(Cc2ccsc2)C1 ZINC000096044171 463149190 /nfs/dbraw/zinc/14/91/90/463149190.db2.gz ASVDELYSUWUQQS-INIZCTEOSA-N 0 3 334.489 2.155 40 0 EEABHN Cc1ccc(CN2CC[C@@]3(CC(=O)N(c4cncnc4)C3)C2)s1 ZINC000096050832 463154927 /nfs/dbraw/zinc/15/49/27/463154927.db2.gz PYIZRIDTGHORKW-QGZVFWFLSA-N 0 3 328.441 2.476 40 0 EEABHN Cn1cc(CN2CCC[C@@]3(CCN(Cc4ccncc4)C3)C2)cn1 ZINC000096100146 463172919 /nfs/dbraw/zinc/17/29/19/463172919.db2.gz DTXDZNSMJLIKFS-LJQANCHMSA-N 0 3 325.460 2.303 40 0 EEABHN Cc1ncsc1CN1C[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC000096108131 463175440 /nfs/dbraw/zinc/17/54/40/463175440.db2.gz PMXKUOIOAQOSJL-DLBZAZTESA-N 0 3 344.484 2.179 40 0 EEABHN O=C(c1cccc(F)c1)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096161486 463192002 /nfs/dbraw/zinc/19/20/02/463192002.db2.gz MQUYSVNIQICEHC-CALCHBBNSA-N 0 3 325.387 2.425 40 0 EEABHN COCCO[C@H]1CCN(Cc2cccnc2)[C@H]1Cc1cccnc1 ZINC000096200511 463205993 /nfs/dbraw/zinc/20/59/93/463205993.db2.gz WCOQVDCSRPYWIA-OALUTQOASA-N 0 3 327.428 2.325 40 0 EEABHN CN(C)C(=O)NCC[C@@]12CCO[C@@H]1CCN(Cc1cccs1)C2 ZINC000096207612 463209492 /nfs/dbraw/zinc/20/94/92/463209492.db2.gz RJFPWHFUXIUULF-WBVHZDCISA-N 0 3 337.489 2.390 40 0 EEABHN C[C@@H](NC[C@@](C)(O)c1cnn(C)c1)c1ccc(N2CCCC2=O)cc1 ZINC000096478320 463281339 /nfs/dbraw/zinc/28/13/39/463281339.db2.gz BZRANVVVFBOBKZ-AUUYWEPGSA-N 0 3 342.443 2.105 40 0 EEABHN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)n1C ZINC000223261120 464139409 /nfs/dbraw/zinc/13/94/09/464139409.db2.gz DNSKKUNCEAMLIC-IRXDYDNUSA-N 0 3 343.500 2.263 40 0 EEABHN CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223288519 464140618 /nfs/dbraw/zinc/14/06/18/464140618.db2.gz YZGNEYNZSQYMBZ-DLBZAZTESA-N 0 3 343.500 2.437 40 0 EEABHN C[C@@H]1CN(c2ccc(Br)cn2)CCN1CC(C)(C)O ZINC000275563090 464779342 /nfs/dbraw/zinc/77/93/42/464779342.db2.gz ORFMONLKRNTBAP-LLVKDONJSA-N 0 3 328.254 2.126 40 0 EEABHN C[C@@H]1C[C@H](N2C(=O)[C@H]3CCCN3C2=O)CCN1Cc1ccccc1 ZINC000253433396 465015357 /nfs/dbraw/zinc/01/53/57/465015357.db2.gz WKLKSXSJUWMMBS-DJIMGWMZSA-N 0 3 327.428 2.466 40 0 EEABHN CC(C(=O)NC[C@@H]1CCCO1)S(=O)(=O)C1CCC(C)(C)CC1 ZINC000330976019 465880730 /nfs/dbraw/zinc/88/07/30/465880730.db2.gz UCHHOLLGNPCBBJ-OLZOCXBDSA-N 0 3 331.478 2.054 40 0 EEABHN COCC[N@@H+]1CCC[C@]12CCCN(C(=O)c1ccc([O-])cc1)CC2 ZINC000585100798 468968198 /nfs/dbraw/zinc/96/81/98/468968198.db2.gz WUEXMBHMWQOWAO-IBGZPJMESA-N 0 3 332.444 2.499 40 0 EEABHN COCC[N@H+]1CCC[C@]12CCCN(C(=O)c1ccc([O-])cc1)CC2 ZINC000585100798 468968205 /nfs/dbraw/zinc/96/82/05/468968205.db2.gz WUEXMBHMWQOWAO-IBGZPJMESA-N 0 3 332.444 2.499 40 0 EEABHN CCCCN1CCC[C@@]2(CC(C(=O)NC3CC(F)(F)C3)=NO2)C1 ZINC000585101121 468968887 /nfs/dbraw/zinc/96/88/87/468968887.db2.gz FWKKSEGZNBDXDN-OAHLLOKOSA-N 0 3 329.391 2.311 40 0 EEABHN OCCOc1cccc(CN2CC[C@@H](O)[C@H](Cc3ccccc3)C2)c1 ZINC000585272013 468999397 /nfs/dbraw/zinc/99/93/97/468999397.db2.gz KDBOVXQNOLIGLA-TZIWHRDSSA-N 0 3 341.451 2.483 40 0 EEABHN CC(C)c1nnc(CNC(=O)Nc2cccc(CN(C)C)c2)n1C ZINC000130739844 528433771 /nfs/dbraw/zinc/43/37/71/528433771.db2.gz YKKAUDJNCNSDTL-UHFFFAOYSA-N 0 3 330.436 2.322 40 0 EEABHN COc1ccc(OC)c(-c2ccc3nnc([C@@H]4CCCN4)n3n2)c1 ZINC000217556599 536824243 /nfs/dbraw/zinc/82/42/43/536824243.db2.gz ILKVIAYZJCYFQY-AWEZNQCLSA-N 0 3 325.372 2.233 40 0 EEABHN Cc1cccc(Oc2nccnc2[C@@H]2CCCN(C(=O)CN)C2)c1 ZINC000072363194 216169870 /nfs/dbraw/zinc/16/98/70/216169870.db2.gz LZUCCEOEGVVRQA-CQSZACIVSA-N 0 3 326.400 2.242 40 0 EEABHN CNc1nccnc1C[C@@H]1CCCN(C(=O)CN(C)C2CCCC2)C1 ZINC000257265791 244361437 /nfs/dbraw/zinc/36/14/37/244361437.db2.gz MAGUAVNYYHIHRD-HNNXBMFYSA-N 0 3 345.491 2.174 40 0 EEABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(Br)s1 ZINC000019575936 212046021 /nfs/dbraw/zinc/04/60/21/212046021.db2.gz RHEPKIMUQVGUOC-HBNTYKKESA-N 0 3 331.279 2.150 40 0 EEABHN Cc1ccc2occ(CN3C[C@H]4CCCN4C[C@@H]3CCO)c(=O)c2c1 ZINC000019219805 212006058 /nfs/dbraw/zinc/00/60/58/212006058.db2.gz PXJPPLZNBYKVRC-SJORKVTESA-N 0 3 342.439 2.132 40 0 EEABHN Cc1cc(OCC(=O)N2C[C@@H]3CCCN3Cc3ccccc32)no1 ZINC000078615863 217087800 /nfs/dbraw/zinc/08/78/00/217087800.db2.gz XMKRNZBYGDKRQT-HNNXBMFYSA-N 0 3 327.384 2.373 40 0 EEABHN COc1ncccc1NC(=O)N(CCN(C)C)Cc1cccc(O)c1 ZINC000079082649 217188872 /nfs/dbraw/zinc/18/88/72/217188872.db2.gz BWXRQMGEFVDOMH-UHFFFAOYSA-N 0 3 344.415 2.392 40 0 EEABHN NCC(=O)N(C[C@@H]1CCCCN1C(=O)OCc1ccccc1)C1CC1 ZINC000079392999 217219175 /nfs/dbraw/zinc/21/91/75/217219175.db2.gz RLFDBSPIJWHLAL-KRWDZBQOSA-N 0 3 345.443 2.127 40 0 EEABHN CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079393261 217218590 /nfs/dbraw/zinc/21/85/90/217218590.db2.gz WBJLNNWKBNASRJ-ULQDDVLXSA-N 0 3 347.459 2.324 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CCC[C@@H](N(C)C(=O)OCc2ccccc2)C1 ZINC000079413203 217222120 /nfs/dbraw/zinc/22/21/20/217222120.db2.gz CPUDAMPPYACLHD-SJORKVTESA-N 0 3 347.459 2.229 40 0 EEABHN CCN(CCCN[C@H]1CCCOc2cc(F)ccc21)S(C)(=O)=O ZINC000181975186 284916091 /nfs/dbraw/zinc/91/60/91/284916091.db2.gz YJGNIKNGYBQCTL-HNNXBMFYSA-N 0 3 344.452 2.301 40 0 EEABHN COc1cccc([C@H](N)[C@@H](O)c2cccc(OC)c2OC)c1OC ZINC000001667020 462585667 /nfs/dbraw/zinc/58/56/67/462585667.db2.gz NQCYRUZEDDWTHR-HOTGVXAUSA-N 0 3 333.384 2.454 40 0 EEABHN CN(C)c1ccccc1CN1CCCC[C@H]1CCNS(C)(=O)=O ZINC000075642001 462744560 /nfs/dbraw/zinc/74/45/60/462744560.db2.gz INKLAPIKFHKETF-INIZCTEOSA-N 0 3 339.505 2.046 40 0 EEABHN COC(=O)c1ccc(-c2ccc(CNCCN3CCOCC3)o2)cc1 ZINC000022076841 463044962 /nfs/dbraw/zinc/04/49/62/463044962.db2.gz XHXHEXOSBVMQQD-UHFFFAOYSA-N 0 3 344.411 2.155 40 0 EEABHN Cc1cccc(CO[C@@H]2C[C@@H]3CN(Cc4ccoc4)CCN3C2)n1 ZINC000096055070 463156523 /nfs/dbraw/zinc/15/65/23/463156523.db2.gz YAVXUCQFGVCVGC-RTBURBONSA-N 0 3 327.428 2.458 40 0 EEABHN c1c2c(nn1Cc1ccccn1)[C@H](CNCc1ccncc1)OCC2 ZINC000096059790 463159941 /nfs/dbraw/zinc/15/99/41/463159941.db2.gz MZUFTIODACOGDM-SFHVURJKSA-N 0 3 335.411 2.125 40 0 EEABHN Cc1ccc(CN2CCC[C@]3(CCCN3S(C)(=O)=O)C2)s1 ZINC000096071554 463165400 /nfs/dbraw/zinc/16/54/00/463165400.db2.gz NLGWZHRNDWNEIQ-HNNXBMFYSA-N 0 3 328.503 2.447 40 0 EEABHN O=C([C@@H]1CCC2(CCN(Cc3ccsc3)CC2)O1)N1CCCO1 ZINC000096111137 463179928 /nfs/dbraw/zinc/17/99/28/463179928.db2.gz SGDSIHHHZFSZOF-HNNXBMFYSA-N 0 3 336.457 2.426 40 0 EEABHN C[C@@H]1C[C@H](Nc2cccc(N3CCN(CC4CC4)CC3)c2)C(=O)O1 ZINC000079029878 463180504 /nfs/dbraw/zinc/18/05/04/463180504.db2.gz LWCWRGQLFUAHHS-KDOFPFPSSA-N 0 3 329.444 2.335 40 0 EEABHN Fc1ccccc1CO[C@@H]1C[C@H]2CN(c3ncccn3)CCN2C1 ZINC000096183573 463195787 /nfs/dbraw/zinc/19/57/87/463195787.db2.gz OIUFFOQGOSDJHD-JKSUJKDBSA-N 0 3 328.391 2.095 40 0 EEABHN Cn1ccnc1CN1CCOC[C@@]2(CCN(Cc3cccs3)C2)C1 ZINC000096202172 463206957 /nfs/dbraw/zinc/20/69/57/463206957.db2.gz FWUROYMYZWNWNY-GOSISDBHSA-N 0 3 346.500 2.206 40 0 EEABHN COc1ccc(CN2C[C@@H]3CN(Cc4ccoc4)C[C@@H]3C2=O)cc1 ZINC000096245346 463225152 /nfs/dbraw/zinc/22/51/52/463225152.db2.gz UODWXDCPBCLJNN-WMZOPIPTSA-N 0 3 326.396 2.379 40 0 EEABHN Cc1cccc(CN2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC000096249189 463227793 /nfs/dbraw/zinc/22/77/93/463227793.db2.gz VFBIRPYSLQYHTQ-QZTJIDSGSA-N 0 3 325.460 2.077 40 0 EEABHN O=C(NCCCNCc1cccnc1)[C@H]1CCOc2ccccc21 ZINC000096404736 463239463 /nfs/dbraw/zinc/23/94/63/463239463.db2.gz YXOFBADKXCRZHB-KRWDZBQOSA-N 0 3 325.412 2.244 40 0 EEABHN O=C(Nc1ccn(Cc2ccccn2)n1)N1CC[C@@H](N2CCCC2)C1 ZINC000096435053 463263052 /nfs/dbraw/zinc/26/30/52/463263052.db2.gz MUXNUILGQXHDOR-MRXNPFEDSA-N 0 3 340.431 2.028 40 0 EEABHN CN(Cc1cc2ccccc2o1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000096446118 463270813 /nfs/dbraw/zinc/27/08/13/463270813.db2.gz ACVWVNSAOALUQE-WBVHZDCISA-N 0 3 343.427 2.437 40 0 EEABHN C[C@H]1CC(NCc2c(F)cccc2S(=O)(=O)N(C)C)C[C@H](C)O1 ZINC000097231063 463350869 /nfs/dbraw/zinc/35/08/69/463350869.db2.gz NKMGQNPSPIUYME-RYUDHWBXSA-N 0 3 344.452 2.122 40 0 EEABHN COCCNC(=O)[C@@H]1CCC[C@]12CCN(Cc1scnc1C)C2 ZINC000108524666 463610156 /nfs/dbraw/zinc/61/01/56/463610156.db2.gz BWRHIWCJPDHNHS-WMLDXEAASA-N 0 3 337.489 2.206 40 0 EEABHN CCc1cc(C(=O)N2CCO[C@H](c3cc(NC)cc(C)n3)C2)no1 ZINC000257302483 463768250 /nfs/dbraw/zinc/76/82/50/463768250.db2.gz SDCFFPWCPXSPIV-INIZCTEOSA-N 0 3 330.388 2.196 40 0 EEABHN CC(=O)N1CC2(CCN(Cc3ccccn3)CC2)C[C@@H](O)C1(C)C ZINC000257319038 463776788 /nfs/dbraw/zinc/77/67/88/463776788.db2.gz VQKOWMQIANTIAZ-QGZVFWFLSA-N 0 3 331.460 2.056 40 0 EEABHN CC(C(=O)N1CCC[C@@]1(c1ccccc1)C(F)(F)F)S(C)(=O)=O ZINC000195570857 464078337 /nfs/dbraw/zinc/07/83/37/464078337.db2.gz LGLXJHLNSRGHSE-SMDDNHRTSA-N 0 3 349.374 2.500 40 0 EEABHN CN1CC[C@H](Nc2cc(-n3cccn3)nc(N)n2)[C@@H]1c1ccccc1 ZINC000225600138 464175521 /nfs/dbraw/zinc/17/55/21/464175521.db2.gz NPJVCTDKZDTPRZ-YOEHRIQHSA-N 0 3 335.415 2.102 40 0 EEABHN COCc1nc2n(n1)C[C@H](NCc1ccc3nc(C)ccc3c1)CC2 ZINC000189381613 464491023 /nfs/dbraw/zinc/49/10/23/464491023.db2.gz FTAALAIYNQHHQZ-MRXNPFEDSA-N 0 3 337.427 2.386 40 0 EEABHN Cc1cccc(CN2C[C@@H]3CCN(Cc4ccncc4)C(=O)[C@H]3C2)n1 ZINC000247880973 464712492 /nfs/dbraw/zinc/71/24/92/464712492.db2.gz RBMJOCSMYXWDIX-HKUYNNGSSA-N 0 3 336.439 2.266 40 0 EEABHN Cc1nc2ccc(N[C@H]3CCN(Cc4ccccc4)[C@H](C)C3)nn2n1 ZINC000329398463 465321189 /nfs/dbraw/zinc/32/11/89/465321189.db2.gz VGSAHPSZIJIVLY-PBHICJAKSA-N 0 3 336.443 2.898 40 0 EEABHN Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(-n2cnnc2)c1 ZINC000216751557 241209291 /nfs/dbraw/zinc/20/92/91/241209291.db2.gz MTNKGIFYYMEBTL-UHFFFAOYSA-N 0 3 334.427 2.172 40 0 EEABHN COC[C@@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218568559 241332663 /nfs/dbraw/zinc/33/26/63/241332663.db2.gz MJFGSCNYKZIVNU-SQNIBIBYSA-N 0 3 349.427 2.357 40 0 EEABHN COc1ccccc1N1CC[C@H](N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1=O ZINC000245316719 243103279 /nfs/dbraw/zinc/10/32/79/243103279.db2.gz KGWKUZQPCWHHKD-WRFANHODSA-N 0 3 330.428 2.204 40 0 EEABHN CN(C)CCn1ccc(NC(=O)N2CCC(c3nccs3)CC2)n1 ZINC000253429698 243977093 /nfs/dbraw/zinc/97/70/93/243977093.db2.gz UKRITGBCWOURMA-UHFFFAOYSA-N 0 3 348.476 2.313 40 0 EEABHN c1cncc(NC[C@@H]2CC[C@H]3[C@H]2OCCN3CC2CCOCC2)c1 ZINC000253479591 244001443 /nfs/dbraw/zinc/00/14/43/244001443.db2.gz RHBLTLZYACKDMN-WDSOQIARSA-N 0 3 331.460 2.400 40 0 EEABHN Cc1cc(-c2nccn2C)nc([C@H]2CCCN2C2CCN(C)CC2)n1 ZINC000257221904 244189564 /nfs/dbraw/zinc/18/95/64/244189564.db2.gz DRAPQHMBQUHIAK-QGZVFWFLSA-N 0 3 340.475 2.417 40 0 EEABHN CCOc1ccccc1CN1CC[C@H]2[C@@H](C[C@](C)(CO)N2C(C)=O)C1 ZINC000257270042 244373257 /nfs/dbraw/zinc/37/32/57/244373257.db2.gz MSOFOADHFCHSMH-CMKODMSKSA-N 0 3 346.471 2.279 40 0 EEABHN Cc1cn(C)c([C@@H]2CCCN(Cc3ccnc(N4CCCC4)n3)C2)n1 ZINC000257263267 244353230 /nfs/dbraw/zinc/35/32/30/244353230.db2.gz LPBLHNVRYMPEEL-MRXNPFEDSA-N 0 3 340.475 2.498 40 0 EEABHN Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)C2(CN)CN)cc1 ZINC000218362224 274759407 /nfs/dbraw/zinc/75/94/07/274759407.db2.gz WDKGXTJYRVGMQN-MSOLQXFVSA-N 0 3 344.480 2.147 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CCC[C@H](N(C(=O)OC(C)(C)C)C2CC2)C1 ZINC000079427494 280272958 /nfs/dbraw/zinc/27/29/58/280272958.db2.gz WTGIZGHNKKEZIR-GJZGRUSLSA-N 0 3 339.480 2.360 40 0 EEABHN COc1ccccc1[C@@H]1CC[C@@H](C)CN1CCCS(N)(=O)=O ZINC000239782503 295390441 /nfs/dbraw/zinc/39/04/41/295390441.db2.gz COTDFFPPWWTUSX-HIFRSBDPSA-N 0 3 326.462 2.147 40 0 EEABHN Cc1nc(C)c(CNC(=O)CC2(N3CCOCC3)CCCC2)s1 ZINC000074000919 462541485 /nfs/dbraw/zinc/54/14/85/462541485.db2.gz MFRJMXXCVZNBBB-UHFFFAOYSA-N 0 3 337.489 2.411 40 0 EEABHN COc1ccc(C(=O)N2CCC(CN3CCN(C)C[C@@H]3C)CC2)cc1 ZINC000085468175 462549215 /nfs/dbraw/zinc/54/92/15/462549215.db2.gz RINMFIRKQKMJBQ-INIZCTEOSA-N 0 3 345.487 2.183 40 0 EEABHN O[C@@H](COc1ccc2c(c1)OCO2)CN1CCc2ccccc2C1 ZINC000002686985 462599944 /nfs/dbraw/zinc/59/99/44/462599944.db2.gz WXASRCUYCITQEF-MRXNPFEDSA-N 0 3 327.380 2.213 40 0 EEABHN CN(C)CCNC(=O)CSCc1ccc(Br)cc1 ZINC000013674940 462899738 /nfs/dbraw/zinc/89/97/38/462899738.db2.gz XLBFAXYELIQUIB-UHFFFAOYSA-N 0 3 331.279 2.360 40 0 EEABHN CSc1ccc([C@H]2NC(=N)Nc3nc(=O)c4ccccc4n32)cc1 ZINC000021145464 463033277 /nfs/dbraw/zinc/03/32/77/463033277.db2.gz JMWWQGNYONBYNS-AWEZNQCLSA-N 0 3 337.408 2.406 40 0 EEABHN Cc1ccc(CN2C[C@@H]3COC[C@@H](C(=O)Nc4cccnc4)[C@@H]3C2)o1 ZINC000096038623 463144182 /nfs/dbraw/zinc/14/41/82/463144182.db2.gz YSSSULURIKQUQP-ZTFGCOKTSA-N 0 3 341.411 2.316 40 0 EEABHN CN(Cc1ccco1)C[C@H]1Cn2ccnc2CN(C(=O)CC2CC2)C1 ZINC000096067129 463164048 /nfs/dbraw/zinc/16/40/48/463164048.db2.gz VGCJVFKSPXXBLQ-INIZCTEOSA-N 0 3 342.443 2.367 40 0 EEABHN Clc1ccccc1CN1C[C@@H]2COC[C@]2(CN2CCOCC2)C1 ZINC000096108286 463177618 /nfs/dbraw/zinc/17/76/18/463177618.db2.gz TZFHCCPUHQGPAJ-AEFFLSMTSA-N 0 3 336.863 2.121 40 0 EEABHN CN(C)CCOC[C@H]1Cn2nccc2CN(Cc2ccsc2)C1 ZINC000096188959 463200535 /nfs/dbraw/zinc/20/05/35/463200535.db2.gz TXOBISOSXHUOFJ-MRXNPFEDSA-N 0 3 334.489 2.155 40 0 EEABHN Cc1ccc(CN2CC[C@]3(C2)C(=O)NC[C@H]3COc2cccnc2)o1 ZINC000096218564 463216672 /nfs/dbraw/zinc/21/66/72/463216672.db2.gz VCWLIGANLGYSKS-HNAYVOBHSA-N 0 3 341.411 2.000 40 0 EEABHN Cc1noc(C)c1CN1CCC2(C[C@@H](NC(=O)C(C)C)CO2)CC1 ZINC000096220625 463218240 /nfs/dbraw/zinc/21/82/40/463218240.db2.gz BVSHMFWCCKYRMX-OAHLLOKOSA-N 0 3 335.448 2.187 40 0 EEABHN Cc1nc(N2CCOCC2)nc2c1CN(CCc1ccccc1)CC2 ZINC000096253879 463228981 /nfs/dbraw/zinc/22/89/81/463228981.db2.gz LVZSHJWRCAYMHU-UHFFFAOYSA-N 0 3 338.455 2.222 40 0 EEABHN O=C(NCCc1ccccn1)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000096450136 463271903 /nfs/dbraw/zinc/27/19/03/463271903.db2.gz JUQWJWZWIPFUDU-JZXOWHBKSA-N 0 3 328.460 2.140 40 0 EEABHN COc1cccc(C(=O)N2CCCN(C[C@H]3CCCOC3)CC2)c1 ZINC000096481002 463281895 /nfs/dbraw/zinc/28/18/95/463281895.db2.gz QDSNIKKODSXTHH-MRXNPFEDSA-N 0 3 332.444 2.270 40 0 EEABHN Cc1ccc(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)cn1 ZINC000096500980 463291589 /nfs/dbraw/zinc/29/15/89/463291589.db2.gz WJEXVNAFNMRFAZ-LJQANCHMSA-N 0 3 339.439 2.277 40 0 EEABHN Cc1ccc(Cl)c(OC[C@H](O)CN(C)C2CCS(=O)CC2)c1 ZINC000097373569 463355152 /nfs/dbraw/zinc/35/51/52/463355152.db2.gz BMDXRMOAWFCEKO-BJCXIENYSA-N 0 3 345.892 2.231 40 0 EEABHN CN(Cc1ccco1)Cc1cnc2n1CCN(C[C@H]1CCOC1)CC2 ZINC000107212508 463561390 /nfs/dbraw/zinc/56/13/90/463561390.db2.gz CFXPEONPRURWGL-MRXNPFEDSA-N 0 3 344.459 2.003 40 0 EEABHN NC(=O)c1cnn2c1nccc2[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000257313045 463773679 /nfs/dbraw/zinc/77/36/79/463773679.db2.gz UQTZQMQQHCXYQK-OAHLLOKOSA-N 0 3 335.411 2.208 40 0 EEABHN CN(Cc1csc(Br)c1)C(=O)[C@@H](N)C1CCOCC1 ZINC000262066368 463939581 /nfs/dbraw/zinc/93/95/81/463939581.db2.gz SCPMTLAOKAQTOJ-LBPRGKRZSA-N 0 3 347.278 2.223 40 0 EEABHN O=S(=O)(NCC1CCN([C@@H]2CCSC2)CC1)c1ccccc1 ZINC000225572262 464172751 /nfs/dbraw/zinc/17/27/51/464172751.db2.gz MPVOJPVPORWTOL-OAHLLOKOSA-N 0 3 340.514 2.182 40 0 EEABHN COc1c2c(c([C@](C)(N)C(F)(F)F)c3c1CN(C)CC3)OCO2 ZINC000242522383 464457846 /nfs/dbraw/zinc/45/78/46/464457846.db2.gz IPXZSLFLYBQLCL-AWEZNQCLSA-N 0 3 332.322 2.148 40 0 EEABHN C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000245339493 464471108 /nfs/dbraw/zinc/47/11/08/464471108.db2.gz TZBHTXAABVQTAM-BDXSIMOUSA-N 0 3 347.503 2.110 40 0 EEABHN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000247827157 464709645 /nfs/dbraw/zinc/70/96/45/464709645.db2.gz JKLSRQQVGYLCRJ-WTTBNOFXSA-N 0 3 326.444 2.222 40 0 EEABHN c1c([C@H]2CNCCN2CC2CC2)nc2cccc(N3CCCC3)n12 ZINC000306136048 466491722 /nfs/dbraw/zinc/49/17/22/466491722.db2.gz PHKFTKRVRGQLTL-QGZVFWFLSA-N 0 3 325.460 2.291 40 0 EEABHN CO[C@]1(CCC(N)=O)CCCN(Cc2ccc3ncccc3c2)C1 ZINC000585277663 469003610 /nfs/dbraw/zinc/00/36/10/469003610.db2.gz KBEJCAOEDPPQPC-IBGZPJMESA-N 0 3 327.428 2.481 40 0 EEABHN O[C@@]1(COc2ccc(F)c(Cl)c2)COCCN(C2CCC2)C1 ZINC000585284202 469007940 /nfs/dbraw/zinc/00/79/40/469007940.db2.gz VPPVWFYTSRQSIY-MRXNPFEDSA-N 0 3 329.799 2.474 40 0 EEABHN Cc1noc(C)c1CN1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC000096239150 282384364 /nfs/dbraw/zinc/38/43/64/282384364.db2.gz GXRMQXKGTPVSTQ-GOSISDBHSA-N 0 3 326.400 2.315 40 0 EEABHN CN(C)[C@@H](CNC(=O)c1ccc2c(c1)COCO2)Cc1ccccc1 ZINC000072827083 216312966 /nfs/dbraw/zinc/31/29/66/216312966.db2.gz QGTQHSBNASXXNM-GOSISDBHSA-N 0 3 340.423 2.456 40 0 EEABHN C/C1=N/CCCN(CCN(C)C)CCC/N=C(/C)c2cccc1n2 ZINC000022040643 212272923 /nfs/dbraw/zinc/27/29/23/212272923.db2.gz LYJNMGFMFJFRQR-NWILIBCHSA-N 0 3 329.492 2.357 40 0 EEABHN Nc1cc(-n2cnnc2)ccc1N1CCN(Cc2ccccc2)CC1 ZINC000216751743 241208539 /nfs/dbraw/zinc/20/85/39/241208539.db2.gz VFQPIQJJXLERPK-UHFFFAOYSA-N 0 3 334.427 2.172 40 0 EEABHN CN1CCC(Cc2cccc(F)c2)(C(=O)NCc2ccnnc2)CC1 ZINC000257246746 244257816 /nfs/dbraw/zinc/25/78/16/244257816.db2.gz IVQXRPZDPACCKU-UHFFFAOYSA-N 0 3 342.418 2.187 40 0 EEABHN COc1cccc(C[C@@H]2CC3(CO2)CCN(C(=O)C(C)(C)N)CC3)c1 ZINC000257273909 244385806 /nfs/dbraw/zinc/38/58/06/244385806.db2.gz NISKDEOYKRCCRB-QGZVFWFLSA-N 0 3 346.471 2.373 40 0 EEABHN c1csc(CN2CCC[C@@H]2Cn2nnc(-c3ccncc3)n2)c1 ZINC000019343513 212018155 /nfs/dbraw/zinc/01/81/55/212018155.db2.gz OCPWQNSFIYBXPQ-CQSZACIVSA-N 0 3 326.429 2.461 40 0 EEABHN CCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)[C@@H](N)C(C)C ZINC000079391421 285022255 /nfs/dbraw/zinc/02/22/55/285022255.db2.gz SMJFDNUTXLFZGX-KBPBESRZSA-N 0 3 327.469 2.218 40 0 EEABHN CSCC[C@H](N)C(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000154944249 224331683 /nfs/dbraw/zinc/33/16/83/224331683.db2.gz UHOVHWALHPBKSJ-INIZCTEOSA-N 0 3 334.485 2.497 40 0 EEABHN Fc1ccc(CNC[C@H]([C@H]2CCOC2)N2CCOCC2)c(Cl)c1 ZINC000095425751 303129783 /nfs/dbraw/zinc/12/97/83/303129783.db2.gz ZIGIZXWOJGLKPK-WMLDXEAASA-N 0 3 342.842 2.306 40 0 EEABHN Cc1cc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)nn1C ZINC000097378739 323322220 /nfs/dbraw/zinc/32/22/20/323322220.db2.gz ZJSZJWAELGMIJM-BBRMVZONSA-N 0 3 327.432 2.371 40 0 EEABHN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCCC[C@H]1CN(C)C ZINC000019078948 463014438 /nfs/dbraw/zinc/01/44/38/463014438.db2.gz QPMXUSOOXIMKNZ-KBPBESRZSA-N 0 3 334.416 2.125 40 0 EEABHN Cn1nncc1CNC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447474 463086859 /nfs/dbraw/zinc/08/68/59/463086859.db2.gz XOPYNWXSWRWJJP-MLGOLLRUSA-N 0 3 337.830 2.390 40 0 EEABHN Cn1cc([C@H]2CC(=O)NC23CCN(Cc2cccs2)CC3)cn1 ZINC000096061485 463160873 /nfs/dbraw/zinc/16/08/73/463160873.db2.gz XRESFBJDCWMWOA-OAHLLOKOSA-N 0 3 330.457 2.120 40 0 EEABHN Cn1cc([C@@H]2CC(=O)N(C)C23CCN(Cc2cccs2)CC3)cn1 ZINC000096061512 463161676 /nfs/dbraw/zinc/16/16/76/463161676.db2.gz LBQLDOADHWFMTQ-INIZCTEOSA-N 0 3 344.484 2.462 40 0 EEABHN CCOc1ccsc1C(=O)N1CC[C@@H](OC)[C@H]2CN(CC)C[C@H]21 ZINC000096110976 463179846 /nfs/dbraw/zinc/17/98/46/463179846.db2.gz DVFGRUZLKYGJAM-BFHYXJOUSA-N 0 3 338.473 2.328 40 0 EEABHN CCN1CC2(CCN(Cc3scnc3C)CC2)[C@H](COC)C1=O ZINC000096205813 463208803 /nfs/dbraw/zinc/20/88/03/463208803.db2.gz CLVZYPLUSFWNNM-CQSZACIVSA-N 0 3 337.489 2.158 40 0 EEABHN CC(C)N(C(=O)CN)C1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000079392971 463209924 /nfs/dbraw/zinc/20/99/24/463209924.db2.gz MZAMIVYIKBXJMF-UHFFFAOYSA-N 0 3 347.459 2.420 40 0 EEABHN O=C(C[C@@H]1CO[C@@H]2CN(Cc3cccs3)C[C@H]12)N1CCCCO1 ZINC000096218941 463215943 /nfs/dbraw/zinc/21/59/43/463215943.db2.gz HRNWIFDEFOTJTK-FVQBIDKESA-N 0 3 336.457 2.139 40 0 EEABHN Cn1cc(CN2CCC3(CC[C@H](C(=O)NCC4CC4)C3)CC2)cn1 ZINC000096227853 463221992 /nfs/dbraw/zinc/22/19/92/463221992.db2.gz KZVFXWLDBXFDNA-KRWDZBQOSA-N 0 3 330.476 2.329 40 0 EEABHN COC(=O)CN1CCC(NCc2cc(Cl)cc3c2OCC3)CC1 ZINC000136952149 463267476 /nfs/dbraw/zinc/26/74/76/463267476.db2.gz XJJWNWCFYDGWDA-UHFFFAOYSA-N 0 3 338.835 2.002 40 0 EEABHN COc1cccc(CNC(=O)CN(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1 ZINC000096443447 463268859 /nfs/dbraw/zinc/26/88/59/463268859.db2.gz VOFVFDBSTNGQAG-NXHRZFHOSA-N 0 3 332.444 2.057 40 0 EEABHN CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000096467522 463277940 /nfs/dbraw/zinc/27/79/40/463277940.db2.gz ZBXDBKPNKWHAPF-ZDUSSCGKSA-N 0 3 339.867 2.049 40 0 EEABHN Cc1cc(S(=O)(=O)NC[C@H](N)c2ccccc2)cnc1Cl ZINC000096483353 463282910 /nfs/dbraw/zinc/28/29/10/463282910.db2.gz VKXZJDLGWMITSN-ZDUSSCGKSA-N 0 3 325.821 2.022 40 0 EEABHN CN(C)c1nccc(CNCC(C)(C)c2ccc3c(c2)OCCO3)n1 ZINC000096501525 463292008 /nfs/dbraw/zinc/29/20/08/463292008.db2.gz DYEVCFCWXCSCFY-UHFFFAOYSA-N 0 3 342.443 2.381 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000163862774 463608325 /nfs/dbraw/zinc/60/83/25/463608325.db2.gz PJVPEYXBQDRRSO-AWEZNQCLSA-N 0 3 344.381 2.122 40 0 EEABHN CC(C)(N)C(=O)N1CCC(c2cccc(Br)n2)CC1 ZINC000257320139 463776116 /nfs/dbraw/zinc/77/61/16/463776116.db2.gz VVNMVKGTUVSMQQ-UHFFFAOYSA-N 0 3 326.238 2.287 40 0 EEABHN CNC(=O)c1cccc([C@@H]2CNCCN2Cc2cccc(F)c2)c1 ZINC000257340013 463785473 /nfs/dbraw/zinc/78/54/73/463785473.db2.gz ZEDASOVACGMLQW-SFHVURJKSA-N 0 3 327.403 2.332 40 0 EEABHN C[C@H](NCc1cc(=O)n2ccsc2n1)[C@H]1COc2ccccc21 ZINC000185631939 463852965 /nfs/dbraw/zinc/85/29/65/463852965.db2.gz FLNGTJGLSLPZKJ-SMDDNHRTSA-N 0 3 327.409 2.410 40 0 EEABHN CC[C@H](N[C@@H]1CCCc2c(OC)cccc21)C(=O)N1CCOCC1 ZINC000194910271 463956025 /nfs/dbraw/zinc/95/60/25/463956025.db2.gz YNVVICJVJRXOQX-DLBZAZTESA-N 0 3 332.444 2.300 40 0 EEABHN O=C(CNC[C@@H]1CCCO1)NC[C@H]1C[C@@]12CCCc1ccccc12 ZINC000195543715 464074325 /nfs/dbraw/zinc/07/43/25/464074325.db2.gz LGTMERFVSLNSSA-UWVAXJGDSA-N 0 3 328.456 2.165 40 0 EEABHN CCS(=O)(=O)N1CCC(N[C@@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000195555454 464076048 /nfs/dbraw/zinc/07/60/48/464076048.db2.gz IIRNBDTXWXUIMW-MRXNPFEDSA-N 0 3 343.468 2.322 40 0 EEABHN CC(C)c1cc(C(=O)N(C)C2CCN(CCn3cccn3)CC2)on1 ZINC000265064208 535342060 /nfs/dbraw/zinc/34/20/60/535342060.db2.gz QGERLFHEBBSIAT-UHFFFAOYSA-N 0 3 345.447 2.231 40 0 EEABHN Cc1cc(COCC(=O)N2C[C@H](N(C)C)Cc3ccccc32)no1 ZINC001548453686 1110505228 /nfs/dbraw/zinc/50/52/28/1110505228.db2.gz BESYXSOMYWHGNH-MRXNPFEDSA-N 0 3 329.400 2.019 40 0 EEABHN O=C([C@H]1CN(Cc2cccs2)C[C@H]2OCC[C@H]21)N1CCCCO1 ZINC000097953645 219064978 /nfs/dbraw/zinc/06/49/78/219064978.db2.gz DBAYQIFXYDJWKE-HRCADAONSA-N 0 3 336.457 2.139 40 0 EEABHN Cc1cc(N(C)C)cc(C2CCN(C(=O)c3cnn(C)c3)CC2)n1 ZINC000072368539 216174578 /nfs/dbraw/zinc/17/45/78/216174578.db2.gz LSGYJZFWLOSDQY-UHFFFAOYSA-N 0 3 327.432 2.209 40 0 EEABHN Cc1ccc(C)c([C@H](O)CN2CCN([C@H]3CCCN(C)C3)CC2)c1 ZINC000072637019 216285994 /nfs/dbraw/zinc/28/59/94/216285994.db2.gz WDJGIFIVEKNYAT-AZUAARDMSA-N 0 3 331.504 2.049 40 0 EEABHN C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccc(Br)s1 ZINC000022931337 212336459 /nfs/dbraw/zinc/33/64/59/212336459.db2.gz RHEPKIMUQVGUOC-OUAUKWLOSA-N 0 3 331.279 2.150 40 0 EEABHN O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CCCC[C@@H]1O ZINC000242263292 243012621 /nfs/dbraw/zinc/01/26/21/243012621.db2.gz XXRIVNODLAGWQR-MSOLQXFVSA-N 0 3 331.460 2.038 40 0 EEABHN Cc1noc(C)c1CCC(=O)N1CCO[C@H](c2cc(N)cc(C)n2)C1 ZINC000257268951 244368693 /nfs/dbraw/zinc/36/86/93/244368693.db2.gz MNXPBHDCCBZCII-KRWDZBQOSA-N 0 3 344.415 2.110 40 0 EEABHN CN(C)c1ncc(CN2CCC[C@@](C)(C(=O)NC3CCCC3)C2)cn1 ZINC000019746704 212061294 /nfs/dbraw/zinc/06/12/94/212061294.db2.gz NLPLOGBERJSQBH-LJQANCHMSA-N 0 3 345.491 2.204 40 0 EEABHN CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2cccc(C(N)=O)c2)C1 ZINC000078393977 217047167 /nfs/dbraw/zinc/04/71/67/217047167.db2.gz BPVRVAYJHXOTNT-AWEZNQCLSA-N 0 3 333.432 2.132 40 0 EEABHN CCN(C(=O)OCc1ccccc1)C1CCC(NC(=O)CN)CC1 ZINC000079412440 217222578 /nfs/dbraw/zinc/22/25/78/217222578.db2.gz NHTHNWKUPBLWCD-UHFFFAOYSA-N 0 3 333.432 2.031 40 0 EEABHN CN(C)CCNC(=O)Cn1c(-c2cccs2)cc2cccnc21 ZINC000012148103 211307792 /nfs/dbraw/zinc/30/77/92/211307792.db2.gz ISIYXFFASJOFCW-UHFFFAOYSA-N 0 3 328.441 2.443 40 0 EEABHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc(C)nn1C ZINC000096405205 285283232 /nfs/dbraw/zinc/28/32/32/285283232.db2.gz AKLXPOSLIDTQJQ-KRWDZBQOSA-N 0 3 341.459 2.250 40 0 EEABHN COc1ccc(-c2c(C)nn3c2nc(C)cc3N2CCNCC2)cc1 ZINC000012113321 277396595 /nfs/dbraw/zinc/39/65/95/277396595.db2.gz MIKBJNJJLQGKID-UHFFFAOYSA-N 0 3 337.427 2.431 40 0 EEABHN CC(C)[C@H](N)C(=O)N(C)C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000079391408 277902599 /nfs/dbraw/zinc/90/25/99/277902599.db2.gz BFXQWGCLVAYVBL-KBPBESRZSA-N 0 3 327.469 2.218 40 0 EEABHN Cn1cc(CC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)cn1 ZINC000162319268 323334496 /nfs/dbraw/zinc/33/44/96/323334496.db2.gz CDIDLXAXYRRKRE-LJQANCHMSA-N 0 3 326.444 2.134 40 0 EEABHN Cc1cc(=O)oc2cc(NC(=O)[C@H](N)Cc3ccc(O)cc3)ccc12 ZINC000005273917 462653390 /nfs/dbraw/zinc/65/33/90/462653390.db2.gz NRGJYQDVMUOJLU-MRXNPFEDSA-N 0 3 338.363 2.316 40 0 EEABHN CN(C)C[C@H]1CSCCCN1C(=O)c1cc(-c2ccco2)on1 ZINC000090699659 462808835 /nfs/dbraw/zinc/80/88/35/462808835.db2.gz ICFKDRNBRPAFKD-LBPRGKRZSA-N 0 3 335.429 2.444 40 0 EEABHN COc1ccc(CN2CCC[C@@]3(CO[C@H](C(=O)N(C)C)C3)C2)cc1 ZINC000096048890 463153669 /nfs/dbraw/zinc/15/36/69/463153669.db2.gz STFJCEPUKNEIAV-HKUYNNGSSA-N 0 3 332.444 2.155 40 0 EEABHN Fc1ccc(CNC[C@@H]2Cn3nnc(-c4ccncc4)c3CO2)cc1 ZINC000096061062 463160772 /nfs/dbraw/zinc/16/07/72/463160772.db2.gz AMZRLBWYHHQUJG-MRXNPFEDSA-N 0 3 339.374 2.168 40 0 EEABHN Clc1cccc(CN2C[C@@H]3COC[C@]3(CN3CCOCC3)C2)c1 ZINC000096108282 463177155 /nfs/dbraw/zinc/17/71/55/463177155.db2.gz ZIMAULGKGFDQOH-AEFFLSMTSA-N 0 3 336.863 2.121 40 0 EEABHN COc1ccc2c(c1)nc1n2[C@@H](CNCc2ccncc2F)COC1 ZINC000096112685 463180429 /nfs/dbraw/zinc/18/04/29/463180429.db2.gz ZHAMMIVURJKXJU-ZDUSSCGKSA-N 0 3 342.374 2.440 40 0 biogenic,in-vitro EEABHN c1cc(CN2CC[C@@H]3[C@@H](CO[C@H]3CNc3ncccn3)C2)cs1 ZINC000096185369 463196936 /nfs/dbraw/zinc/19/69/36/463196936.db2.gz AFDUBFLFFOFAMB-OAGGEKHMSA-N 0 3 330.457 2.487 40 0 EEABHN Cc1ccc(CN2Cc3ccnn3C[C@H](COCCN(C)C)C2)s1 ZINC000096188964 463200408 /nfs/dbraw/zinc/20/04/08/463200408.db2.gz VUQBLGQPNRFBDO-MRXNPFEDSA-N 0 3 348.516 2.463 40 0 EEABHN c1coc(CN2CC[C@@H](N3CCOCC3)[C@@H]2Cc2cccnc2)c1 ZINC000096200862 463205479 /nfs/dbraw/zinc/20/54/79/463205479.db2.gz XUISGZIJHZXPAS-MOPGFXCFSA-N 0 3 327.428 2.192 40 0 EEABHN COCCO[C@@H]1CCN(Cc2ccsc2)[C@H]1Cc1cnn(C)c1 ZINC000096200212 463205842 /nfs/dbraw/zinc/20/58/42/463205842.db2.gz UWGRCJXPKNBUTO-DLBZAZTESA-N 0 3 335.473 2.330 40 0 EEABHN CC(C)N(C)CC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000096408555 463241392 /nfs/dbraw/zinc/24/13/92/463241392.db2.gz LUDGILYGWQSUOQ-ZDUSSCGKSA-N 0 3 341.402 2.323 40 0 EEABHN CCN1CCCN(C(=O)c2ccc(CNC(=O)C=C(C)C)cc2)CC1 ZINC000096430961 463260348 /nfs/dbraw/zinc/26/03/48/463260348.db2.gz OSTMLHNDKJLVFR-UHFFFAOYSA-N 0 3 343.471 2.437 40 0 EEABHN C[C@H](C(=O)NC[C@H](O)CN1CCC(C)CC1)c1ccc(F)c(F)c1 ZINC000096436448 463265173 /nfs/dbraw/zinc/26/51/73/463265173.db2.gz JRHIRRYDHSCWRV-ZFWWWQNUSA-N 0 3 340.414 2.277 40 0 EEABHN C[C@@H](NCCCN1CCN(c2ccccc2F)CC1)c1cnn(C)c1 ZINC000096477363 463280547 /nfs/dbraw/zinc/28/05/47/463280547.db2.gz FFONHIWDFBZONT-MRXNPFEDSA-N 0 3 345.466 2.422 40 0 EEABHN O[C@@H](CNC1(c2ccc(F)cc2F)CCCC1)CN1CCOCC1 ZINC000096492228 463288054 /nfs/dbraw/zinc/28/80/54/463288054.db2.gz IUZQVAJBVGDBAZ-HNNXBMFYSA-N 0 3 340.414 2.017 40 0 EEABHN C[C@@H](CCc1cccc(F)c1)N1CCC(NS(C)(=O)=O)CC1 ZINC000097370743 463355694 /nfs/dbraw/zinc/35/56/94/463355694.db2.gz UTDJMXSYKPHVTF-ZDUSSCGKSA-N 0 3 328.453 2.160 40 0 EEABHN Fc1cnc(N[C@H]2CO[C@]3(CCN(Cc4ccccc4)C3)C2)nc1 ZINC000107226576 463562549 /nfs/dbraw/zinc/56/25/49/463562549.db2.gz ICMVJZKGICGCLS-SJLPKXTDSA-N 0 3 328.391 2.461 40 0 EEABHN Cc1cccc(CN2CC[C@]3(C[C@@H](Nc4cnccn4)CO3)C2)n1 ZINC000107786010 463582903 /nfs/dbraw/zinc/58/29/03/463582903.db2.gz UTAPSYLGSZWIEN-AEFFLSMTSA-N 0 3 325.416 2.026 40 0 EEABHN Cc1ccc(C)c(OC[C@H](O)CN2CCC3(CC2)OCCO3)c1C ZINC000059019063 463640966 /nfs/dbraw/zinc/64/09/66/463640966.db2.gz SQNAZSZOMBNUQC-QGZVFWFLSA-N 0 3 335.444 2.190 40 0 EEABHN O=C(c1cccc(F)c1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257282763 463761631 /nfs/dbraw/zinc/76/16/31/463761631.db2.gz OVETVIDNLVMIAI-MRXNPFEDSA-N 0 3 342.361 2.134 40 0 EEABHN COC[C@@H]1CCN(CC2CC2)C2(CN(C(=O)c3cccc(O)c3)C2)C1 ZINC000575403461 468140812 /nfs/dbraw/zinc/14/08/12/468140812.db2.gz LHEIGNXPPZSJNY-MRXNPFEDSA-N 0 3 344.455 2.355 40 0 EEABHN O[C@H]1CCN(C2CCCC2)C[C@]1(O)COc1ccc(F)c(F)c1 ZINC000585287798 469009665 /nfs/dbraw/zinc/00/96/65/469009665.db2.gz SBEIFEHVNGLDIJ-IRXDYDNUSA-N 0 3 327.371 2.084 40 0 EEABHN CN(C)C/C=C/C(=O)N1CC[C@H](O)[C@H](Cc2ccc(Cl)cc2)C1 ZINC000585289207 469010178 /nfs/dbraw/zinc/01/01/78/469010178.db2.gz FYWGOIGLLCRZSI-JUPLKNRCSA-N 0 3 336.863 2.210 40 0 EEABHN Cc1ccc2[nH]c(=O)c(CN[C@@H](CO)[C@@H](O)c3ccccc3)cc2c1 ZINC000585292810 469011940 /nfs/dbraw/zinc/01/19/40/469011940.db2.gz ONCKSNQJDOPPBE-OALUTQOASA-N 0 3 338.407 2.433 40 0 EEABHN O=C(COc1ccccc1)N1CCN(C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000169293485 534633964 /nfs/dbraw/zinc/63/39/64/534633964.db2.gz UURGQMGVBGIYKK-KSZLIROESA-N 0 3 326.440 2.422 40 0 EEABHN CCN(CCC(=O)Nc1cc(C)on1)C[C@@H]1COc2ccccc2O1 ZINC000039985846 213248977 /nfs/dbraw/zinc/24/89/77/213248977.db2.gz XDJGCCXYUDFNIJ-CQSZACIVSA-N 0 3 345.399 2.474 40 0 EEABHN COc1ccccc1C(=O)N1CCO[C@H](c2cc(N)cc(C)n2)C1 ZINC000257202595 244125139 /nfs/dbraw/zinc/12/51/39/244125139.db2.gz AMOFNSBMKRRTRV-KRWDZBQOSA-N 0 3 327.384 2.195 40 0 EEABHN CNc1cc(C)nc([C@@H]2CN(C(=O)CCCn3ccnc3)CCO2)c1 ZINC000257242551 244248132 /nfs/dbraw/zinc/24/81/32/244248132.db2.gz IDBVFGQLXZWVEL-KRWDZBQOSA-N 0 3 343.431 2.009 40 0 EEABHN Cc1ncccc1O[C@@H]1CC[C@@H]2CN(CC(=O)N3CCCCC3)C[C@H]12 ZINC000257258474 244290182 /nfs/dbraw/zinc/29/01/82/244290182.db2.gz KUCBVJQAKRPIIO-ZIFCJYIRSA-N 0 3 343.471 2.492 40 0 EEABHN C[C@H](CCc1cccc(F)c1)N1CCCN(S(C)(=O)=O)CC1 ZINC000097370764 219016758 /nfs/dbraw/zinc/01/67/58/219016758.db2.gz MPDAJOIKQRWCFC-CQSZACIVSA-N 0 3 328.453 2.114 40 0 EEABHN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000097372488 323322353 /nfs/dbraw/zinc/32/23/53/323322353.db2.gz HGZMZJSFUGYPDG-RHSMWYFYSA-N 0 3 348.491 2.233 40 0 EEABHN CCCCSC[C@H](O)CN1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002090252 462589122 /nfs/dbraw/zinc/58/91/22/462589122.db2.gz VVCPVDOFZBZVID-OWCLPIDISA-N 0 3 336.501 2.162 40 0 EEABHN N[C@H]1CCN2C(=O)c3cc(-c4ccc(F)cc4F)ccc3NC(=O)[C@H]12 ZINC000008296860 462777317 /nfs/dbraw/zinc/77/73/17/462777317.db2.gz VVNPKCCVHJNCCA-HOCLYGCPSA-N 0 3 343.333 2.126 40 0 biogenic,in-vitro EEABHN CN(C)C[C@@H]1CSCCCN1C(=O)COc1ccccc1F ZINC000090699948 462808640 /nfs/dbraw/zinc/80/86/40/462808640.db2.gz ADGQRKNJXXQKGI-CYBMUJFWSA-N 0 3 326.437 2.100 40 0 EEABHN CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CCN(Cc2ccccn2)C1 ZINC000019695669 463020777 /nfs/dbraw/zinc/02/07/77/463020777.db2.gz ZMZRNPBPNFQAOO-LJQANCHMSA-N 0 3 342.443 2.374 40 0 EEABHN COc1cccc(CN2C[C@H]3OCC[C@H]3[C@H](C(=O)N3CCCC3)C2)c1 ZINC000096038871 463144036 /nfs/dbraw/zinc/14/40/36/463144036.db2.gz ALVNEHCVOBXHBE-IPMKNSEASA-N 0 3 344.455 2.155 40 0 EEABHN O=C(N[C@@H]1CCC12CCN(Cc1cccnc1)CC2)c1cnccn1 ZINC000096051501 463154682 /nfs/dbraw/zinc/15/46/82/463154682.db2.gz DKVBEOWLEMPOCP-QGZVFWFLSA-N 0 3 337.427 2.046 40 0 EEABHN CC[C@@H]1N(Cc2ccncc2)CCC[C@]12CCC(=O)N2CCOC ZINC000096052443 463157194 /nfs/dbraw/zinc/15/71/94/463157194.db2.gz DWSHPKMBUWMDCS-HKUYNNGSSA-N 0 3 331.460 2.464 40 0 EEABHN Cc1ccc(CN2CCCn3nnc(COCCN(C)C)c3C2)s1 ZINC000096058826 463159336 /nfs/dbraw/zinc/15/93/36/463159336.db2.gz IQGYXZQUXYLASA-UHFFFAOYSA-N 0 3 349.504 2.132 40 0 EEABHN COc1ccc2c(c1)C1(CCN(Cc3cnn(C)c3)CC1)N(C)CC2 ZINC000096100211 463173309 /nfs/dbraw/zinc/17/33/09/463173309.db2.gz YPMYMXGFORLDNA-UHFFFAOYSA-N 0 3 340.471 2.408 40 0 EEABHN Cc1ccc(CN2CCC3(CCC(=O)N3CC(=O)N(C)C)CC2)s1 ZINC000096228102 463221927 /nfs/dbraw/zinc/22/19/27/463221927.db2.gz JTBRBCLXJLDLEY-UHFFFAOYSA-N 0 3 349.500 2.102 40 0 EEABHN O=C(C1=CC2(CCN(CCO)CC2)c2ccccc21)N1CCCC1 ZINC000096241618 463225554 /nfs/dbraw/zinc/22/55/54/463225554.db2.gz HBCPKIYZCHLYOX-UHFFFAOYSA-N 0 3 326.440 2.032 40 0 EEABHN O=C(c1ccccc1F)N1C[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C1 ZINC000096246143 463226910 /nfs/dbraw/zinc/22/69/10/463226910.db2.gz SOZUFTVVYSEPRG-XHSDSOJGSA-N 0 3 332.419 2.399 40 0 EEABHN CC(C)CNc1nc2c(cc1C(=O)N1CCCC1)CCN(C)CC2 ZINC000096260542 463231348 /nfs/dbraw/zinc/23/13/48/463231348.db2.gz CAEJTGZOIGUZFQ-UHFFFAOYSA-N 0 3 330.476 2.416 40 0 EEABHN CCOC(=O)C1CCN(C[C@H](O)COCc2ccc(C)cc2)CC1 ZINC000096305988 463233529 /nfs/dbraw/zinc/23/35/29/463233529.db2.gz OHYRPJOJOFVCCX-SFHVURJKSA-N 0 3 335.444 2.148 40 0 EEABHN Cc1nc(-c2ccc(S(=O)(=O)N(C)C[C@@H]3CCN(C)C3)cc2)co1 ZINC000096409582 463242751 /nfs/dbraw/zinc/24/27/51/463242751.db2.gz PIOZAEHQQQTOBQ-CQSZACIVSA-N 0 3 349.456 2.222 40 0 EEABHN COCCN1CC[C@@H](NC(=O)N[C@@H](c2ncccc2C)C(C)C)C1 ZINC000096413326 463245882 /nfs/dbraw/zinc/24/58/82/463245882.db2.gz GVCZCWBQYATKNM-HZPDHXFCSA-N 0 3 334.464 2.107 40 0 EEABHN CN(CCCc1cnn(C)c1)CCN1CCN(c2ccccc2)CC1 ZINC000096414988 463246896 /nfs/dbraw/zinc/24/68/96/463246896.db2.gz JWKYINJTMZDEMF-UHFFFAOYSA-N 0 3 341.503 2.107 40 0 EEABHN CN1CCC[C@H](CNC(=O)c2cccc(OCC(F)(F)F)n2)C1 ZINC000096417025 463248884 /nfs/dbraw/zinc/24/88/84/463248884.db2.gz QMPLPSBPDXWMSJ-LLVKDONJSA-N 0 3 331.338 2.094 40 0 EEABHN COc1ccc([C@@H]2[C@@H](CNC(=O)c3nccn3C)CCCN2C)cc1 ZINC000096421366 463253109 /nfs/dbraw/zinc/25/31/09/463253109.db2.gz IZUQZAQNPKCGEA-NVXWUHKLSA-N 0 3 342.443 2.242 40 0 EEABHN Cc1nc2c(ncnc2NCC2(N3CCOCC3)CCCCC2)[nH]1 ZINC000041121277 463468792 /nfs/dbraw/zinc/46/87/92/463468792.db2.gz ZNTAHNHZTUUJGV-UHFFFAOYSA-N 0 3 330.436 2.108 40 0 EEABHN Cc1ncc(CNC[C@H](C)N2CCOC[C@@H]2C)n1-c1ccccc1 ZINC000084024491 463574211 /nfs/dbraw/zinc/57/42/11/463574211.db2.gz VNJSLQRABNJJMJ-HOTGVXAUSA-N 0 3 328.460 2.380 40 0 EEABHN Cc1ccc(C2(CNC(=O)C[C@@H]3CSCCN3)CCOCC2)cc1 ZINC000195544100 464074381 /nfs/dbraw/zinc/07/43/81/464074381.db2.gz NTRPSPVYCSMSSW-QGZVFWFLSA-N 0 3 348.512 2.255 40 0 EEABHN CC[C@@H]1CN(C(=O)c2oc(C)nc2C)[C@@H](CC)CN1CC(C)(C)O ZINC000225427049 464160085 /nfs/dbraw/zinc/16/00/85/464160085.db2.gz RQMMSBPILUKXLZ-CABCVRRESA-N 0 3 337.464 2.377 40 0 EEABHN C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000245339494 464471438 /nfs/dbraw/zinc/47/14/38/464471438.db2.gz TZBHTXAABVQTAM-OWSLCNJRSA-N 0 3 347.503 2.110 40 0 EEABHN COc1cccc([C@@H]2[C@@H](NCC(=O)NC(C)C)CCN2C2CC2)c1 ZINC000252499202 464971048 /nfs/dbraw/zinc/97/10/48/464971048.db2.gz RWYKDBCXLYCPOJ-PKOBYXMFSA-N 0 3 331.460 2.087 40 0 EEABHN C[C@H](N)C(=O)N(C)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000252517751 464979838 /nfs/dbraw/zinc/97/98/38/464979838.db2.gz QINBASVFAXXUQH-BPUTZDHNSA-N 0 3 333.432 2.030 40 0 EEABHN CNCC(=O)N1CCC(c2nccnc2Oc2ccccc2F)CC1 ZINC000072363305 216169862 /nfs/dbraw/zinc/16/98/62/216169862.db2.gz IFDDRSJRMXVCBN-UHFFFAOYSA-N 0 3 344.390 2.333 40 0 EEABHN CN1CCC(C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1 ZINC000072849839 216316247 /nfs/dbraw/zinc/31/62/47/216316247.db2.gz ZKYAELXPWWBJNN-UHFFFAOYSA-N 0 3 341.411 2.490 40 0 EEABHN Cc1ccn(CCC(=O)N2CC[C@H](c3cc(N(C)C)cc(C)n3)C2)n1 ZINC000257264374 244355703 /nfs/dbraw/zinc/35/57/03/244355703.db2.gz LUCFETYVCMXXFF-INIZCTEOSA-N 0 3 341.459 2.367 40 0 EEABHN NCC(=O)N(C1CC1)[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079393014 217218378 /nfs/dbraw/zinc/21/83/78/217218378.db2.gz XMPGGQZONZABJZ-IRXDYDNUSA-N 0 3 345.443 2.174 40 0 EEABHN c1csc(CNC[C@@H]2COCc3c(-c4ccsc4)nnn3C2)n1 ZINC000096087229 218584111 /nfs/dbraw/zinc/58/41/11/218584111.db2.gz LEPBKIUILXYMHJ-NSHDSACASA-N 0 3 347.469 2.399 40 0 EEABHN CCN1CCC(N2CCN(C(C)=O)C[C@@H]2c2ccccc2OC)CC1 ZINC000257213968 285187442 /nfs/dbraw/zinc/18/74/42/285187442.db2.gz CJWQZPMANQQXTD-LJQANCHMSA-N 0 3 345.487 2.385 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CCC[C@H]1CN(C(=O)OC(C)(C)C)C1CC1 ZINC000079427485 280272982 /nfs/dbraw/zinc/27/29/82/280272982.db2.gz KKOWIYQORKAFBE-GJZGRUSLSA-N 0 3 339.480 2.360 40 0 EEABHN C[C@H]1CN(C)CCN1CC1CCN(C(=O)NCc2ccccc2)CC1 ZINC000085468320 462549166 /nfs/dbraw/zinc/54/91/66/462549166.db2.gz WMVJFNULSUHFPO-KRWDZBQOSA-N 0 3 344.503 2.244 40 0 EEABHN Cc1ccc2c(c1)CN(C(=O)c1cnc(C)cn1)[C@@H](CN(C)C)CO2 ZINC000012406571 462853352 /nfs/dbraw/zinc/85/33/52/462853352.db2.gz SURCLRPYCKEXLR-INIZCTEOSA-N 0 3 340.427 2.058 40 0 EEABHN O=C([C@H]1COC[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21)N1CCCCO1 ZINC000096065253 463162684 /nfs/dbraw/zinc/16/26/84/463162684.db2.gz XDYFEDDOKWBQFR-NXHRZFHOSA-N 0 3 348.418 2.074 40 0 EEABHN Cn1ccnc1CN1CC[C@@]2(C1)CCCN(Cc1ccccn1)C2 ZINC000096158033 463189367 /nfs/dbraw/zinc/18/93/67/463189367.db2.gz HVGLDYOQQYHBFI-IBGZPJMESA-N 0 3 325.460 2.303 40 0 EEABHN O=C1[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2CN1Cc1cccnc1 ZINC000096245092 463225464 /nfs/dbraw/zinc/22/54/64/463225464.db2.gz YLFHJPVZSATARA-WMZOPIPTSA-N 0 3 325.387 2.311 40 0 EEABHN c1ccc(OC[C@H]2C[C@H]3OCCN(CC4CCOCC4)[C@@H]3C2)nc1 ZINC000096250613 463227685 /nfs/dbraw/zinc/22/76/85/463227685.db2.gz HMPSJDWWOACBQJ-KZNAEPCWSA-N 0 3 332.444 2.366 40 0 EEABHN Cc1cc([C@@](C)(O)CNC(=O)NC2CCN(C3CC3)CC2)c(C)o1 ZINC000096437569 463265661 /nfs/dbraw/zinc/26/56/61/463265661.db2.gz QURIKQOPSWJTIK-SFHVURJKSA-N 0 3 335.448 2.030 40 0 EEABHN Cc1cc([C@](C)(O)CNC(=O)NC2CCN(C3CC3)CC2)c(C)o1 ZINC000096437568 463266095 /nfs/dbraw/zinc/26/60/95/463266095.db2.gz QURIKQOPSWJTIK-GOSISDBHSA-N 0 3 335.448 2.030 40 0 EEABHN COC[C@H](O)CN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000096483340 463283006 /nfs/dbraw/zinc/28/30/06/463283006.db2.gz BSKCMQJYGLKBAK-CYBMUJFWSA-N 0 3 344.814 2.137 40 0 EEABHN CC(C)c1noc(CCCNC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)n1 ZINC000096499736 463290096 /nfs/dbraw/zinc/29/00/96/463290096.db2.gz UTQPGIPFBKSZNG-CABCVRRESA-N 0 3 349.479 2.251 40 0 EEABHN CNCC(=O)N1CCC[C@@H]1c1cc(Nc2ncccc2C)nc(C)n1 ZINC000072360921 463509144 /nfs/dbraw/zinc/50/91/44/463509144.db2.gz GGBUMNUXDOZASN-OAHLLOKOSA-N 0 3 340.431 2.115 40 0 EEABHN c1ccc(CN2CCC3(CC2)C[C@@H](Nc2ncccn2)CCO3)nc1 ZINC000108533510 463609791 /nfs/dbraw/zinc/60/97/91/463609791.db2.gz NKPKXFLVNROUIF-INIZCTEOSA-N 0 3 339.443 2.497 40 0 EEABHN O=C1CCCN1c1ccc(CN2CCC3(CC2)OCCC[C@@H]3O)cc1 ZINC000257279228 463758562 /nfs/dbraw/zinc/75/85/62/463758562.db2.gz OFQODQUOJKGZPX-SFHVURJKSA-N 0 3 344.455 2.319 40 0 EEABHN c1c([C@@H]2CNCCN2CC2CC2)nc2cccc(N3CCCC3)n12 ZINC000306136047 466492100 /nfs/dbraw/zinc/49/21/00/466492100.db2.gz PHKFTKRVRGQLTL-KRWDZBQOSA-N 0 3 325.460 2.291 40 0 EEABHN CCn1cc(CN2CCC3(CC(NC(=O)OCCF)C3)CC2)cn1 ZINC000585102957 468970761 /nfs/dbraw/zinc/97/07/61/468970761.db2.gz JZZKOVDKJSOWCX-UHFFFAOYSA-N 0 3 338.427 2.343 40 0 EEABHN OCCOc1cccc(CN2CC[C@H](Cc3ccccc3)[C@H](O)C2)c1 ZINC000585281104 469008305 /nfs/dbraw/zinc/00/83/05/469008305.db2.gz SZNKOBBNLSGXKW-TZIWHRDSSA-N 0 3 341.451 2.483 40 0 EEABHN CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)CO)cc1 ZINC000218457255 536194933 /nfs/dbraw/zinc/19/49/33/536194933.db2.gz CYINEGSJVUKCIV-FHWLQOOXSA-N 0 3 345.464 2.126 40 0 EEABHN COc1ccccc1CNC(=O)c1ccccc1-n1cnc(CN)c1 ZINC000257200338 537046580 /nfs/dbraw/zinc/04/65/80/537046580.db2.gz ACXFDIHQRDQHFP-UHFFFAOYSA-N 0 3 336.395 2.270 40 0 EEABHN NS(=O)(=O)CC1CCN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000930118828 1206535661 /nfs/dbraw/zinc/53/56/61/1206535661.db2.gz ONZIOMQAWVMJAM-HUUCEWRRSA-N 0 3 344.427 2.036 40 0 EEABHN Cc1cc(CN2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)oc1C ZINC000097953322 219063839 /nfs/dbraw/zinc/06/38/39/219063839.db2.gz FLBOJCVSFZWUQP-KBAYOESNSA-N 0 3 348.443 2.145 40 0 EEABHN CN(C)c1ncc(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cn1 ZINC000189746256 529812295 /nfs/dbraw/zinc/81/22/95/529812295.db2.gz NGKYUUZYIQXHKF-HOTGVXAUSA-N 0 3 340.431 2.110 40 0 EEABHN Cc1cc(CCC(=O)NCc2ccnn2C)cc([C@@H]2CCCN2C)n1 ZINC000072366873 216172702 /nfs/dbraw/zinc/17/27/02/216172702.db2.gz ZMNWQPQHYFNTLO-SFHVURJKSA-N 0 3 341.459 2.139 40 0 EEABHN CCOC[C@@]1(CN)[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)CC ZINC000218517397 241328428 /nfs/dbraw/zinc/32/84/28/241328428.db2.gz LAWYZEKVYYRCQP-ULQDDVLXSA-N 0 3 325.474 2.131 40 0 EEABHN COC[C@@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218037313 241291851 /nfs/dbraw/zinc/29/18/51/241291851.db2.gz YSYLHMUKBHEYIN-SQNIBIBYSA-N 0 3 331.437 2.218 40 0 EEABHN CN1CCc2nc(C3CCN(C(=O)c4ccccc4)CC3)ncc2C1 ZINC000019590698 212049061 /nfs/dbraw/zinc/04/90/61/212049061.db2.gz YRGJWKQCVRMYBU-UHFFFAOYSA-N 0 3 336.439 2.484 40 0 EEABHN c1cncc(-c2nnc3n2[C@H]2CN(Cc4ccncc4)C[C@H]2CC3)c1 ZINC000019341546 212017730 /nfs/dbraw/zinc/01/77/30/212017730.db2.gz ARJGCSFXXKDTLS-SJORKVTESA-N 0 3 332.411 2.354 40 0 EEABHN CN(CCCN1CCN(C)CC1)C(=O)CC(C)(C)c1ccccc1 ZINC000078914870 217148014 /nfs/dbraw/zinc/14/80/14/217148014.db2.gz SZLGFWKFZWHWDM-UHFFFAOYSA-N 0 3 331.504 2.450 40 0 EEABHN C[C@@H](NC1(CNC(=O)[C@H]2CCOC2)CCOCC1)c1ccccc1 ZINC000079096296 217191644 /nfs/dbraw/zinc/19/16/44/217191644.db2.gz VVJCIOORLHYZNQ-WBVHZDCISA-N 0 3 332.444 2.039 40 0 EEABHN C[C@H](NCCn1c2ccccc2[nH]c1=O)c1ccc([S@](C)=O)cc1 ZINC000090220614 217923516 /nfs/dbraw/zinc/92/35/16/217923516.db2.gz GBCTXJSJIXJAID-RKNYENMMSA-N 0 3 343.452 2.418 40 0 EEABHN Cc1cc(C(=O)N2CCC[C@H](NCc3ccccc3)C2)cc(=O)[nH]1 ZINC000096495420 280327089 /nfs/dbraw/zinc/32/70/89/280327089.db2.gz UGXAFGJARQJYMI-KRWDZBQOSA-N 0 3 325.412 2.078 40 0 EEABHN Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000054969017 301160378 /nfs/dbraw/zinc/16/03/78/301160378.db2.gz VHUDIFDRYZJSJM-NWDGAFQWSA-N 0 3 330.354 2.078 40 0 EEABHN COc1ccc([C@H](N)c2n[nH]c(-c3ccc(O)cc3)n2)cc1OC ZINC000095533816 463107301 /nfs/dbraw/zinc/10/73/01/463107301.db2.gz UBZMFIGWGWFSLY-HNNXBMFYSA-N 0 3 326.356 2.243 40 0 EEABHN Cc1cc(CN2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)oc1C ZINC000096040791 463145064 /nfs/dbraw/zinc/14/50/64/463145064.db2.gz FLBOJCVSFZWUQP-NXHRZFHOSA-N 0 3 348.443 2.145 40 0 EEABHN COc1cccc(CN2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000096041152 463145676 /nfs/dbraw/zinc/14/56/76/463145676.db2.gz ALVNEHCVOBXHBE-GBESFXJTSA-N 0 3 344.455 2.155 40 0 EEABHN O=C(NCC1CC1)[C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@@H]2O1 ZINC000096043152 463147406 /nfs/dbraw/zinc/14/74/06/463147406.db2.gz QSMTXLXWXAHCPE-OTWHNJEPSA-N 0 3 328.456 2.235 40 0 EEABHN O=C1N(Cc2ccncc2)CC[C@@]12CCCN(Cc1cccnc1)C2 ZINC000096048667 463152061 /nfs/dbraw/zinc/15/20/61/463152061.db2.gz KNUKDAUASMKHKB-HXUWFJFHSA-N 0 3 336.439 2.491 40 0 EEABHN O=C(c1cscn1)N1CC[C@@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC000096054148 463156328 /nfs/dbraw/zinc/15/63/28/463156328.db2.gz AUQCOFOKUVXZND-HUUCEWRRSA-N 0 3 328.441 2.132 40 0 EEABHN Cc1ccc(CN2C[C@@H]3COC[C@@H](CC(=O)N4CCCC4)[C@@H]3C2)o1 ZINC000096057208 463158077 /nfs/dbraw/zinc/15/80/77/463158077.db2.gz GCOOJUYPXAOWDG-NUJGCVRESA-N 0 3 332.444 2.295 40 0 EEABHN COc1ccc(CN2C[C@@H]3COC[C@]3(CNC(=O)CC3CC3)C2)cc1 ZINC000096108420 463176446 /nfs/dbraw/zinc/17/64/46/463176446.db2.gz MTAUSSPRWNXDRO-XLIONFOSSA-N 0 3 344.455 2.060 40 0 EEABHN Cc1ccc(CN2C[C@@H]3COC[C@]3(CNC(=O)CC3CC3)C2)s1 ZINC000096108419 463177582 /nfs/dbraw/zinc/17/75/82/463177582.db2.gz ZWNSMPOMGMBCHG-QAPCUYQASA-N 0 3 334.485 2.421 40 0 EEABHN O=C(Cc1cccc(F)c1)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096161594 463192447 /nfs/dbraw/zinc/19/24/47/463192447.db2.gz QSJCFWYVIOJXMA-CALCHBBNSA-N 0 3 339.414 2.354 40 0 EEABHN CN1CCC[C@@H](CNC(=O)c2cccc(OCC(F)(F)F)n2)C1 ZINC000096417026 463249642 /nfs/dbraw/zinc/24/96/42/463249642.db2.gz QMPLPSBPDXWMSJ-NSHDSACASA-N 0 3 331.338 2.094 40 0 EEABHN CC[C@@H](NC(=O)N[C@H]1CCN(CCOC)C1)c1cc(F)ccc1F ZINC000096419939 463251534 /nfs/dbraw/zinc/25/15/34/463251534.db2.gz JHSRKXVLINJOAI-XJKSGUPXSA-N 0 3 341.402 2.436 40 0 EEABHN Cc1ccnc(NC(=O)C2CCN(CCCc3cn[nH]c3)CC2)c1 ZINC000096443279 463268079 /nfs/dbraw/zinc/26/80/79/463268079.db2.gz AIQTUELRNKCHMO-UHFFFAOYSA-N 0 3 327.432 2.396 40 0 EEABHN CCC[NH+]1CCC(N2CCN(Cc3nc(C)ccc3[O-])CC2)CC1 ZINC000096490038 463286691 /nfs/dbraw/zinc/28/66/91/463286691.db2.gz KPVLREQKGUOPOM-UHFFFAOYSA-N 0 3 332.492 2.088 40 0 EEABHN CC(C)n1nnnc1-c1ccc(NC(=O)N(C)CCN(C)C)cc1F ZINC000096501663 463291870 /nfs/dbraw/zinc/29/18/70/463291870.db2.gz LEBPTYVHSDOAKU-UHFFFAOYSA-N 0 3 349.414 2.085 40 0 EEABHN COCCNC(=O)[C@H]1CCC[C@]12CCN(Cc1ccccc1OC)C2 ZINC000108526538 463610440 /nfs/dbraw/zinc/61/04/40/463610440.db2.gz CATBKBXVZXFBRX-YLJYHZDGSA-N 0 3 346.471 2.450 40 0 EEABHN CC(=O)N(C)[C@H]1CC2(CCN(Cc3ccccc3)CC2)OC[C@]1(C)O ZINC000257228258 463756771 /nfs/dbraw/zinc/75/67/71/463756771.db2.gz FTDRGYOQUMEGOE-OALUTQOASA-N 0 3 346.471 2.039 40 0 EEABHN CN(Cc1ccc(OCCOCCO)cc1)C[C@@H](O)c1ccccc1 ZINC000257231827 463757868 /nfs/dbraw/zinc/75/78/68/463757868.db2.gz GIIFSGCUFJCWFT-HXUWFJFHSA-N 0 3 345.439 2.240 40 0 EEABHN NCC(=O)N1CCC(CCc2ccnc(Nc3ccccn3)c2)CC1 ZINC000257305456 463769914 /nfs/dbraw/zinc/76/99/14/463769914.db2.gz SQBZNYRWMSOXTE-UHFFFAOYSA-N 0 3 339.443 2.350 40 0 EEABHN COc1cccc(CC(=O)N2CCO[C@@H](c3cc(N)cc(C)n3)C2)c1 ZINC000257316676 463775450 /nfs/dbraw/zinc/77/54/50/463775450.db2.gz VGNVBJSAIHXZNB-GOSISDBHSA-N 0 3 341.411 2.123 40 0 EEABHN CN(CCC(=O)N1CCC[C@H](Cc2cc[nH]n2)C1)Cc1cccnc1 ZINC000257328334 463779460 /nfs/dbraw/zinc/77/94/60/463779460.db2.gz XFESCPXEOQYXSD-MRXNPFEDSA-N 0 3 341.459 2.108 40 0 EEABHN CNc1cc(C)nc([C@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)c1 ZINC000257344599 463787564 /nfs/dbraw/zinc/78/75/64/463787564.db2.gz ZXYPCGUGYVJZIP-QGZVFWFLSA-N 0 3 344.415 2.179 40 0 EEABHN CC[C@H](CNC(=O)NC[C@@H]1CC[C@H](O)C1)N1CCc2ccccc2C1 ZINC000230472665 464203598 /nfs/dbraw/zinc/20/35/98/464203598.db2.gz VLVRQJQHJIPWCC-LZQZEXGQSA-N 0 3 345.487 2.284 40 0 EEABHN CN(C)CCOCc1cncc2c1CCN(Cc1cccnc1)C2 ZINC000247973694 464719551 /nfs/dbraw/zinc/71/95/51/464719551.db2.gz IDCFPRSCQDTZBV-UHFFFAOYSA-N 0 3 326.444 2.113 40 0 EEABHN Cc1ccsc1CN1CCN(C2=NO[C@H]3CN(C(C)C)C[C@H]23)CC1 ZINC000306129344 466488367 /nfs/dbraw/zinc/48/83/67/466488367.db2.gz IBASQDVAOJDOPD-HOTGVXAUSA-N 0 3 348.516 2.227 40 0 EEABHN COC(=O)CC1(CN2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)CC1 ZINC000390835256 467415060 /nfs/dbraw/zinc/41/50/60/467415060.db2.gz IAMBWHOVFVHIMI-OAHLLOKOSA-N 0 3 345.443 2.384 40 0 EEABHN Cc1ccc2cc(CN[C@@H](CO)[C@@H](O)c3ccccc3)c(=O)[nH]c2c1 ZINC000585293493 469011279 /nfs/dbraw/zinc/01/12/79/469011279.db2.gz YENYSKXNNREMAA-OALUTQOASA-N 0 3 338.407 2.433 40 0 EEABHN Cc1n[nH]cc1CN1CCC(Cc2cnc(CN(C)C)cn2)CC1 ZINC000257266107 244361763 /nfs/dbraw/zinc/36/17/63/244361763.db2.gz MBPVYJBXMITLMO-UHFFFAOYSA-N 0 3 328.464 2.024 40 0 EEABHN Cc1cc(C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)cs1 ZINC000019571921 212044437 /nfs/dbraw/zinc/04/44/37/212044437.db2.gz GIKMOFIYCHHBEQ-OAHLLOKOSA-N 0 3 328.441 2.470 40 0 EEABHN CCN(C(=O)CN)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079392932 217218698 /nfs/dbraw/zinc/21/86/98/217218698.db2.gz GHVULIAFSRLWOR-HZPDHXFCSA-N 0 3 333.432 2.031 40 0 EEABHN CC[C@H](NC(=O)C(C)S(C)(=O)=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000095396402 218328313 /nfs/dbraw/zinc/32/83/13/218328313.db2.gz LXNAXXBGOBJLIM-FZMZJTMJSA-N 0 3 339.457 2.401 40 0 EEABHN CCN1CC2(CCN(Cc3scnc3C)CC2)[C@@H](COC)C1=O ZINC000096205814 279256301 /nfs/dbraw/zinc/25/63/01/279256301.db2.gz CLVZYPLUSFWNNM-AWEZNQCLSA-N 0 3 337.489 2.158 40 0 EEABHN CCc1nc2c(s1)[C@@H](NC[C@H]1CCCN1S(C)(=O)=O)CCC2 ZINC000090799562 462810496 /nfs/dbraw/zinc/81/04/96/462810496.db2.gz NKGYOKGXZXXZAK-NEPJUHHUSA-N 0 3 343.518 2.097 40 0 EEABHN C[C@H]1CCN(Cc2cc(=O)c(O)co2)CCN1Cc1ccccc1 ZINC000076120026 462811160 /nfs/dbraw/zinc/81/11/60/462811160.db2.gz DALKDZRWWOUMJQ-HNNXBMFYSA-N 0 3 328.412 2.442 40 0 EEABHN O=C(c1cnccn1)N1CCC2(CCN(Cc3ccco3)C2)CC1 ZINC000096046669 463150847 /nfs/dbraw/zinc/15/08/47/463150847.db2.gz UYAUYUGOUBVUGP-UHFFFAOYSA-N 0 3 326.400 2.198 40 0 EEABHN O=C(c1cscn1)N1C[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2C1 ZINC000096053934 463155873 /nfs/dbraw/zinc/15/58/73/463155873.db2.gz CFSFRHHKPFKMTB-OKILXGFUSA-N 0 3 331.416 2.486 40 0 EEABHN COc1ccc(CN2CC[C@H]3CO[C@H](CN4CCCC4=O)[C@H]3C2)cc1 ZINC000096056244 463158531 /nfs/dbraw/zinc/15/85/31/463158531.db2.gz ZBTMINRQHCCWJH-YTQUADARSA-N 0 3 344.455 2.155 40 0 EEABHN c1c2c(nn1CC1CCOCC1)[C@@H](CNCc1ccncc1)OCC2 ZINC000096059766 463159736 /nfs/dbraw/zinc/15/97/36/463159736.db2.gz AIRSALYPWOOVMH-GOSISDBHSA-N 0 3 342.443 2.108 40 0 EEABHN Cc1ccc(CN2CCO[C@H]3[C@H](OCCN4CCCC4)CC[C@@H]32)o1 ZINC000096057927 463160228 /nfs/dbraw/zinc/16/02/28/463160228.db2.gz GKIPIXHVKWPWTG-IPMKNSEASA-N 0 3 334.460 2.432 40 0 EEABHN CNC(=O)[C@@H]1CC2(CCN(Cc3cnn(C)c3)CC2)c2ccccc21 ZINC000096079296 463168370 /nfs/dbraw/zinc/16/83/70/463168370.db2.gz GMRQHKQSXMFHFM-QGZVFWFLSA-N 0 3 338.455 2.187 40 0 EEABHN CO[C@H]1CCN(Cc2ccccn2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096109462 463178448 /nfs/dbraw/zinc/17/84/48/463178448.db2.gz WBIXDXJZBUILSH-ZCNNSNEGSA-N 0 3 338.455 2.198 40 0 EEABHN O=C([C@H](CNCc1ccsc1)c1ccccc1)N1CCOCC1 ZINC000096404231 463238520 /nfs/dbraw/zinc/23/85/20/463238520.db2.gz PBNFUCNZGXOYFZ-QGZVFWFLSA-N 0 3 330.453 2.480 40 0 EEABHN C[C@@H](NC(=O)CN[C@H](c1ccccc1)C1CCCC1)C(=O)N(C)C ZINC000096405534 463239215 /nfs/dbraw/zinc/23/92/15/463239215.db2.gz FBNQACURHRZCHS-RDTXWAMCSA-N 0 3 331.460 2.100 40 0 EEABHN Cc1cc(CN2CCC(N(C)S(C)(=O)=O)CC2)c2ccccc2n1 ZINC000096412942 463245092 /nfs/dbraw/zinc/24/50/92/463245092.db2.gz PPRBJJCJZYCDFX-UHFFFAOYSA-N 0 3 347.484 2.399 40 0 EEABHN C[C@@H](C(=O)NCCc1nc2ccccc2n1C)N1CCCCCC1 ZINC000096436507 463264638 /nfs/dbraw/zinc/26/46/38/463264638.db2.gz AWZVKINCDVWAHH-HNNXBMFYSA-N 0 3 328.460 2.497 40 0 EEABHN CSC[C@@](C)(O)CNC(=O)c1oc2ccccc2c1CN(C)C ZINC000096441019 463267501 /nfs/dbraw/zinc/26/75/01/463267501.db2.gz PGNBPAJHDGVMQV-KRWDZBQOSA-N 0 3 336.457 2.338 40 0 EEABHN CCNC(=O)N1CCC(NCc2nccn2Cc2ccccc2)CC1 ZINC000097370965 463355717 /nfs/dbraw/zinc/35/57/17/463355717.db2.gz ZUYRJODPKGCBLY-UHFFFAOYSA-N 0 3 341.459 2.215 40 0 EEABHN Cc1ccc2c(c1)CN(C(=O)c1cccnc1)[C@H](CN(C)C)CO2 ZINC000072395238 463509965 /nfs/dbraw/zinc/50/99/65/463509965.db2.gz MREQOVBRJXQHIH-QGZVFWFLSA-N 0 3 325.412 2.355 40 0 EEABHN NC(=O)c1cccc(CNCC2(CN3CCOCC3)CCCCC2)c1 ZINC000083476659 463548214 /nfs/dbraw/zinc/54/82/14/463548214.db2.gz URVMDBMUCXPBQM-UHFFFAOYSA-N 0 3 345.487 2.158 40 0 EEABHN Cc1nn(C)c(C)c1/C=C/C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000058190441 463549678 /nfs/dbraw/zinc/54/96/78/463549678.db2.gz HXCBNJHBVKCCSX-DXRVJIQQSA-N 0 3 326.444 2.469 40 0 EEABHN c1cnc(N[C@@H]2CCOC3(CCN(Cc4cccnc4)CC3)C2)nc1 ZINC000108534541 463610831 /nfs/dbraw/zinc/61/08/31/463610831.db2.gz MTQIFMJZZHAJTL-QGZVFWFLSA-N 0 3 339.443 2.497 40 0 EEABHN Cc1ccc(C)c(OC[C@@H](O)CN2CCC3(CC2)OCCO3)c1C ZINC000059019065 463641011 /nfs/dbraw/zinc/64/10/11/463641011.db2.gz SQNAZSZOMBNUQC-KRWDZBQOSA-N 0 3 335.444 2.190 40 0 EEABHN CC(C)c1noc(Cc2ccc(NC(=O)NCCN(C)C)cc2)n1 ZINC000283070876 463754238 /nfs/dbraw/zinc/75/42/38/463754238.db2.gz KLSYCMGXASJENM-UHFFFAOYSA-N 0 3 331.420 2.467 40 0 EEABHN CCN1CCN([C@@H]2CCN(c3cc(Br)ccn3)C2)CC1 ZINC000239667603 464443979 /nfs/dbraw/zinc/44/39/79/464443979.db2.gz BQPICKKAOJPAKI-CQSZACIVSA-N 0 3 339.281 2.060 40 0 EEABHN COc1cccc([C@H]2[C@H](NCC(=O)NC(C)C)CCN2C2CC2)c1 ZINC000252499201 464971590 /nfs/dbraw/zinc/97/15/90/464971590.db2.gz RWYKDBCXLYCPOJ-MJGOQNOKSA-N 0 3 331.460 2.087 40 0 EEABHN Cc1ccc(Cl)c(OC[C@H](O)CN2C[C@@H](CO)CC[C@H]2C)c1 ZINC000253370869 464995327 /nfs/dbraw/zinc/99/53/27/464995327.db2.gz XKPJHZCKHLBXLQ-QLFBSQMISA-N 0 3 327.852 2.481 40 0 EEABHN COc1ccc([C@H]2[C@@H](CNC(=O)c3ccnn3C)CCCN2C)cc1 ZINC000253426057 465010765 /nfs/dbraw/zinc/01/07/65/465010765.db2.gz LNWFACUNCPAQEY-QAPCUYQASA-N 0 3 342.443 2.242 40 0 EEABHN Cc1ccc(C(=O)N2CC3(C2)C[C@H](CO)CN3CC2CC2)cc1F ZINC000585093830 468963414 /nfs/dbraw/zinc/96/34/14/468963414.db2.gz IFKLTZCIMVLGSN-HNNXBMFYSA-N 0 3 332.419 2.053 40 0 EEABHN Cc1ccccc1OC[C@@]1(O)CCN(C(=O)C2(C)CCN(C)CC2)C1 ZINC000585276655 469001543 /nfs/dbraw/zinc/00/15/43/469001543.db2.gz OOAKVKFJJYPHKK-HXUWFJFHSA-N 0 3 346.471 2.069 40 0 EEABHN COc1ccccc1CN(CCCN1C(=O)NC(C)(C)C1=O)C1CC1 ZINC000053239333 214170740 /nfs/dbraw/zinc/17/07/40/214170740.db2.gz WQGKDFKRLKVQBJ-UHFFFAOYSA-N 0 3 345.443 2.380 40 0 EEABHN C[C@H](CNC(=O)c1nnn(-c2ccccc2)c1C1CC1)N(C)C1CC1 ZINC000068216792 215290674 /nfs/dbraw/zinc/29/06/74/215290674.db2.gz BOOYLBQNTYTZEO-CYBMUJFWSA-N 0 3 339.443 2.357 40 0 EEABHN Clc1nc2cc3c(cc2cc1CNCCN1CCOCC1)OCO3 ZINC000039583168 213240489 /nfs/dbraw/zinc/24/04/89/213240489.db2.gz WRKAYYUCOGYTGJ-UHFFFAOYSA-N 0 3 349.818 2.039 40 0 EEABHN Cn1cccc1CN1C[C@H]2[C@H](CC[C@@]23Nc2ccccc2C(=O)N3)C1 ZINC000072326858 216152706 /nfs/dbraw/zinc/15/27/06/216152706.db2.gz UVTLXBPEXLPZFJ-LIVBEALHSA-N 0 3 336.439 2.419 40 0 EEABHN CNCC(=O)N1CCC[C@@H]1c1cccc(Nc2cccc(C)n2)n1 ZINC000072383000 216184420 /nfs/dbraw/zinc/18/44/20/216184420.db2.gz KOZMMQIYFIJISU-OAHLLOKOSA-N 0 3 325.416 2.412 40 0 EEABHN C=Cn1cc(CNC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cn1 ZINC000194328592 240527160 /nfs/dbraw/zinc/52/71/60/240527160.db2.gz BOYQQXPUOBYUKO-AWEZNQCLSA-N 0 3 335.791 2.231 40 0 EEABHN CCOc1c(Cl)cccc1CC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000195579798 241027816 /nfs/dbraw/zinc/02/78/16/241027816.db2.gz CARMUFYTCOVYDR-AWEZNQCLSA-N 0 3 340.851 2.070 40 0 EEABHN CNc1cc(C)nc([C@H]2CN(C(=O)CC3(O)CCCCC3)CCO2)c1 ZINC000257271151 244376864 /nfs/dbraw/zinc/37/68/64/244376864.db2.gz MXBUWXHSNYLPSH-QGZVFWFLSA-N 0 3 347.459 2.417 40 0 EEABHN CCN(C(=O)[C@@H](N)C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079391434 284201989 /nfs/dbraw/zinc/20/19/89/284201989.db2.gz MYLNGUSVQZWDIP-AWEZNQCLSA-N 0 3 327.469 2.218 40 0 EEABHN C[C@@H](NC1(CNC(=O)[C@H]2CCCO2)CCOCC1)c1ccccc1 ZINC000079096480 217191878 /nfs/dbraw/zinc/19/18/78/217191878.db2.gz JPTALMXOVCFHSQ-NVXWUHKLSA-N 0 3 332.444 2.182 40 0 EEABHN C[C@H](N)C(=O)N(C)C1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000079393098 217219089 /nfs/dbraw/zinc/21/90/89/217219089.db2.gz QINBASVFAXXUQH-JEYLPNPQSA-N 0 3 333.432 2.030 40 0 EEABHN CCN1CCO[C@@H]2CN(C(=O)c3ccnc4ccccc43)C[C@@H]2C1 ZINC000096107966 276207707 /nfs/dbraw/zinc/20/77/07/276207707.db2.gz XAFKHDVIPSVIFZ-KBXCAEBGSA-N 0 3 325.412 2.028 40 0 EEABHN CNCC(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21 ZINC000257315649 277020430 /nfs/dbraw/zinc/02/04/30/277020430.db2.gz VCGYFHNSGCCSBM-SZXPJGKVSA-N 0 3 330.428 2.124 40 0 EEABHN COC(=O)CCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000096413970 277315361 /nfs/dbraw/zinc/31/53/61/277315361.db2.gz MTYDOTYAEIOEEL-RDJZCZTQSA-N 0 3 332.444 2.451 40 0 EEABHN C[C@H]1CN(C)CCN1CC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000085468314 462548873 /nfs/dbraw/zinc/54/88/73/462548873.db2.gz PQGXCDQSWXQZRY-INIZCTEOSA-N 0 3 336.524 2.377 40 0 EEABHN C[C@@H]1CN(CCCCNC(=O)c2ccc(Cl)cn2)C[C@@H](C)O1 ZINC000085457308 462549118 /nfs/dbraw/zinc/54/91/18/462549118.db2.gz PFKXRGZPKJANNC-CHWSQXEVSA-N 0 3 325.840 2.354 40 0 EEABHN C[C@@H]1CN(C)CCN1CC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000085468309 462549425 /nfs/dbraw/zinc/54/94/25/462549425.db2.gz PQGXCDQSWXQZRY-MRXNPFEDSA-N 0 3 336.524 2.377 40 0 EEABHN CCOC(=O)N1CCN(C(=O)c2ccc(CN3CCCC3)cc2)CC1 ZINC000013682130 462899440 /nfs/dbraw/zinc/89/94/40/462899440.db2.gz QQJKNFKZWHHYHJ-UHFFFAOYSA-N 0 3 345.443 2.197 40 0 EEABHN O=C(NCc1ccco1)[C@@H]1CN(Cc2cccs2)C[C@H]2OCC[C@H]21 ZINC000096038895 463143876 /nfs/dbraw/zinc/14/38/76/463143876.db2.gz HMNQPWBMPXTZJT-GVDBMIGSSA-N 0 3 346.452 2.494 40 0 EEABHN O=C(N[C@H]1CCC12CCN(Cc1cccnc1)CC2)c1cnccn1 ZINC000096051500 463154460 /nfs/dbraw/zinc/15/44/60/463154460.db2.gz DKVBEOWLEMPOCP-KRWDZBQOSA-N 0 3 337.427 2.046 40 0 EEABHN O=C([C@@H]1CCC2(CCN(Cc3ccccn3)CC2)O1)N1CCCC1 ZINC000096061241 463161582 /nfs/dbraw/zinc/16/15/82/463161582.db2.gz HAUJVAOFGBQOLF-KRWDZBQOSA-N 0 3 329.444 2.218 40 0 EEABHN O=C(C[C@H]1OC[C@H]2CN(Cc3cccc(F)c3)CC[C@@H]12)N1CCCO1 ZINC000096207155 463209680 /nfs/dbraw/zinc/20/96/80/463209680.db2.gz LUZIDHURBBTEFD-KBAYOESNSA-N 0 3 348.418 2.217 40 0 EEABHN COC[C@H]1CC2(CN1Cc1ccncc1)CCN(C(=O)N(C)C)CC2 ZINC000096215746 463213247 /nfs/dbraw/zinc/21/32/47/463213247.db2.gz NLFKTNLQGLFZIR-QGZVFWFLSA-N 0 3 346.475 2.066 40 0 EEABHN Fc1ccc(CN2CC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)cc1 ZINC000096219386 463215797 /nfs/dbraw/zinc/21/57/97/463215797.db2.gz BIWIINKJSKJOIO-SJLPKXTDSA-N 0 3 328.391 2.461 40 0 EEABHN CN1CCOC[C@]2(CCCN(C(=O)c3cc4ccccc4[nH]3)C2)C1 ZINC000096228712 463222598 /nfs/dbraw/zinc/22/25/98/463222598.db2.gz LORPLKQJCNXETK-LJQANCHMSA-N 0 3 327.428 2.352 40 0 EEABHN c1ccc(CN2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)nc1 ZINC000096249710 463226852 /nfs/dbraw/zinc/22/68/52/463226852.db2.gz XXRLBMQQKWAHHE-UYAOXDASSA-N 0 3 338.455 2.200 40 0 EEABHN COCCCN1CCC(NC(=O)[C@H]2CSc3ccccc32)CC1 ZINC000096411225 463243727 /nfs/dbraw/zinc/24/37/27/463243727.db2.gz XNHIBSJEUUQHEQ-INIZCTEOSA-N 0 3 334.485 2.493 40 0 EEABHN CC(C)[C@@H](C)NC(=O)C1CCN(CCOC[C@@H]2CCCO2)CC1 ZINC000096421092 463252127 /nfs/dbraw/zinc/25/21/27/463252127.db2.gz SRLNVRPZGQSRCR-WBVHZDCISA-N 0 3 326.481 2.055 40 0 EEABHN C[C@H]1C[C@H](NC(=O)NCc2nccn2C)CCN1Cc1ccccc1 ZINC000080114161 463283627 /nfs/dbraw/zinc/28/36/27/463283627.db2.gz MSWFHTKQORVWDB-DOTOQJQBSA-N 0 3 341.459 2.272 40 0 EEABHN Cc1ccc(CN2CCN3C[C@@H](OCc4ccccn4)C[C@@H]3C2)o1 ZINC000107746842 463581431 /nfs/dbraw/zinc/58/14/31/463581431.db2.gz DAQCBLTXJHHDTH-MJGOQNOKSA-N 0 3 327.428 2.458 40 0 EEABHN COc1cc(CN2CC[C@H](c3nc(CNC(C)=O)c[nH]3)C2)ccc1F ZINC000257322448 463777661 /nfs/dbraw/zinc/77/76/61/463777661.db2.gz WGAXDIIVKGHROI-AWEZNQCLSA-N 0 3 346.406 2.183 40 0 EEABHN COc1cc(CN2CC[C@H](c3ncc(CNC(C)=O)[nH]3)C2)ccc1F ZINC000257322448 463777668 /nfs/dbraw/zinc/77/76/68/463777668.db2.gz WGAXDIIVKGHROI-AWEZNQCLSA-N 0 3 346.406 2.183 40 0 EEABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3ccccn3)CCO2)n1 ZINC000257330945 463780989 /nfs/dbraw/zinc/78/09/89/463780989.db2.gz XQSOTQDPTJTDIY-QGZVFWFLSA-N 0 3 326.400 2.065 40 0 EEABHN COc1cc(NC[C@H]2CN(Cc3ccccc3)CCCO2)ncn1 ZINC000276989892 463832966 /nfs/dbraw/zinc/83/29/66/463832966.db2.gz GPNMSGQEPVZZEE-INIZCTEOSA-N 0 3 328.416 2.188 40 0 EEABHN CCc1nn(C)c(OC)c1CN1CCC[C@@H](Cc2nccn2C)C1 ZINC000195556668 464076075 /nfs/dbraw/zinc/07/60/75/464076075.db2.gz OJLYAFMJZZDFTD-AWEZNQCLSA-N 0 3 331.464 2.179 40 0 EEABHN C(O[C@@H]1CSC2(CN(CC3CCOCC3)C2)C1)C1CCOCC1 ZINC000247824335 464707765 /nfs/dbraw/zinc/70/77/65/464707765.db2.gz FCRQZBZKMMNGAC-KRWDZBQOSA-N 0 3 341.517 2.416 40 0 EEABHN Cc1cc(C)c(N2CC[C@H](N[C@@H]3CCCC[C@H]3C(N)=O)C2=O)c(C)c1 ZINC000249030450 464832215 /nfs/dbraw/zinc/83/22/15/464832215.db2.gz FDPBGLGZDXUIKV-ZACQAIPSSA-N 0 3 343.471 2.351 40 0 EEABHN CN1CCN(S(=O)(=O)c2cc(F)cc(F)c2)c2cnccc21 ZINC000176978458 464898131 /nfs/dbraw/zinc/89/81/31/464898131.db2.gz JAAABNGJLRAZGB-UHFFFAOYSA-N 0 3 325.340 2.005 40 0 EEABHN Cc1ocnc1C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000174854717 231326239 /nfs/dbraw/zinc/32/62/39/231326239.db2.gz YACFGYJACFMXQS-QGZVFWFLSA-N 0 3 343.427 2.158 40 0 EEABHN Cc1cc2c(cc1C[N@H+]1CC[C@@H](c3cc(=O)[n-]c(C)n3)C1)OCO2 ZINC000072337801 216158175 /nfs/dbraw/zinc/15/81/75/216158175.db2.gz WKZOZYINDOETDW-CYBMUJFWSA-N 0 3 327.384 2.105 40 0 EEABHN Cc1cc2c(cc1C[N@@H+]1CC[C@@H](c3cc(=O)[n-]c(C)n3)C1)OCO2 ZINC000072337801 216158177 /nfs/dbraw/zinc/15/81/77/216158177.db2.gz WKZOZYINDOETDW-CYBMUJFWSA-N 0 3 327.384 2.105 40 0 EEABHN O=C([C@@H]1CCCN1C1CCOCC1)N1CCOC2(CCCCC2)C1 ZINC000193309686 296018281 /nfs/dbraw/zinc/01/82/81/296018281.db2.gz RUVSZPIBYXHBHR-KRWDZBQOSA-N 0 3 336.476 2.192 40 0 EEABHN CCN1CCN(C[C@@H](O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000022461360 212298510 /nfs/dbraw/zinc/29/85/10/212298510.db2.gz KVOWRJFVDKLSCJ-NCXUSEDFSA-N 0 3 326.525 2.462 40 0 EEABHN CCOc1c(Cl)cccc1CC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000195579799 241027342 /nfs/dbraw/zinc/02/73/42/241027342.db2.gz CARMUFYTCOVYDR-CQSZACIVSA-N 0 3 340.851 2.070 40 0 EEABHN O=C(c1ccsc1)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 ZINC000257202191 244121597 /nfs/dbraw/zinc/12/15/97/244121597.db2.gz AKUYCKBOLVGWMO-LJQANCHMSA-N 0 3 342.464 2.383 40 0 EEABHN COc1cc(C)ccc1CN1CCC[C@@H]1c1nnc2n1CCNCC2 ZINC000019710767 212056932 /nfs/dbraw/zinc/05/69/32/212056932.db2.gz FPLVPJOLYNLDKJ-MRXNPFEDSA-N 0 3 341.459 2.078 40 0 EEABHN CC(C)[C@H](N)C(=O)N(C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391412 217218340 /nfs/dbraw/zinc/21/83/40/217218340.db2.gz LQLASXCZZDISAA-KGLIPLIRSA-N 0 3 327.469 2.075 40 0 EEABHN COCCCNCc1cc2c(C)nn(-c3ccc(F)cc3)c2[nH]c1=O ZINC000012325244 211349775 /nfs/dbraw/zinc/34/97/75/211349775.db2.gz UIPRYDLWDXTYPM-UHFFFAOYSA-N 0 3 344.390 2.287 40 0 EEABHN O=C1CC2(CCN(Cc3ccccc3)CC2)C(=O)N1N1CCCCC1 ZINC000001641797 296314771 /nfs/dbraw/zinc/31/47/71/296314771.db2.gz MYPOMDOUBCVDOK-UHFFFAOYSA-N 0 3 341.455 2.429 40 0 EEABHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1CCCO1 ZINC000271066991 285283353 /nfs/dbraw/zinc/28/33/53/285283353.db2.gz MIOGNYRKLWBVOR-FUHWJXTLSA-N 0 3 332.444 2.384 40 0 EEABHN C[C@@H]1CCC[C@@H](NCc2nnc3n2c2ccccc2c(=O)n3C)[C@@H]1C ZINC000032753284 274294733 /nfs/dbraw/zinc/29/47/33/274294733.db2.gz FOCZMTFHIOYUIY-UMVBOHGHSA-N 0 3 339.443 2.496 40 0 EEABHN CNc1ccc(-c2noc([C@@H]3CCCN3C3CCOCC3)n2)cn1 ZINC000035426165 277302311 /nfs/dbraw/zinc/30/23/11/277302311.db2.gz JBGKHJLTZGHYJX-AWEZNQCLSA-N 0 3 329.404 2.489 40 0 biogenic,in-vitro EEABHN C[C@H](CNC(=O)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)N(C)C1CC1 ZINC000163142055 463566564 /nfs/dbraw/zinc/56/65/64/463566564.db2.gz IVXXMWAJYCNGAG-OCCSQVGLSA-N 0 3 346.479 2.054 40 0 EEABHN CNc1cc(CN(C)Cc2cnc(C)s2)nc([C@H]2CCCN2)n1 ZINC000019760062 463021102 /nfs/dbraw/zinc/02/11/02/463021102.db2.gz TWRAEKWJYHNDJV-CQSZACIVSA-N 0 3 332.477 2.340 40 0 EEABHN O=C([C@@H]1COC[C@H]2CN(Cc3cccc(F)c3)C[C@H]21)N1CCCCO1 ZINC000096038640 463143619 /nfs/dbraw/zinc/14/36/19/463143619.db2.gz CSXGDTXTQLUGPC-KBAYOESNSA-N 0 3 348.418 2.074 40 0 EEABHN COc1ccc(CN2CC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)cc1 ZINC000096047723 463152108 /nfs/dbraw/zinc/15/21/08/463152108.db2.gz SZNLKCZUEFDLJA-QFBILLFUSA-N 0 3 340.427 2.331 40 0 EEABHN Cc1cccc(CO[C@@H]2C[C@H]3CN(Cc4ccco4)CCN3C2)n1 ZINC000096055064 463156038 /nfs/dbraw/zinc/15/60/38/463156038.db2.gz SRBYCHLFLJTOKI-PKOBYXMFSA-N 0 3 327.428 2.458 40 0 EEABHN Cc1ccc(CN2CC[C@H]3OCC[C@@H](C(=O)N4CCCC4)[C@@H]3C2)o1 ZINC000096058266 463159580 /nfs/dbraw/zinc/15/95/80/463159580.db2.gz JNRACWRSOGYNKZ-FGTMMUONSA-N 0 3 332.444 2.437 40 0 EEABHN CNC(=O)[C@H]1CC2(CCN(Cc3cnn(C)c3)CC2)c2ccccc21 ZINC000096079297 463169089 /nfs/dbraw/zinc/16/90/89/463169089.db2.gz GMRQHKQSXMFHFM-KRWDZBQOSA-N 0 3 338.455 2.187 40 0 EEABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)c1ccc(OC)c(F)c1)CC[C@H]2OC ZINC000096108535 463177525 /nfs/dbraw/zinc/17/75/25/463177525.db2.gz JYEYXRCOGZKPMZ-NUEKZKHPSA-N 0 3 336.407 2.016 40 0 EEABHN O=C(NCCNc1cc(N2CCCC2)cnn1)c1cccc(F)c1 ZINC000096120935 463182250 /nfs/dbraw/zinc/18/22/50/463182250.db2.gz FAWFUTYVJADMBD-UHFFFAOYSA-N 0 3 329.379 2.058 40 0 EEABHN CN(C)CCOC[C@H]1Cn2nccc2CN(Cc2ccc(F)cc2)C1 ZINC000096188967 463200472 /nfs/dbraw/zinc/20/04/72/463200472.db2.gz XYIUJXUNYPMEAG-QGZVFWFLSA-N 0 3 346.450 2.232 40 0 EEABHN Cc1cccnc1CN1CCC2(CC1)C[C@@H](NC(=O)C1CC1)CCO2 ZINC000108536299 463612268 /nfs/dbraw/zinc/61/22/68/463612268.db2.gz JLDOYHPMFAIJPP-KRWDZBQOSA-N 0 3 343.471 2.430 40 0 EEABHN N[C@@H](CC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000225444945 464160696 /nfs/dbraw/zinc/16/06/96/464160696.db2.gz DPNQYWJWEACAPM-SFHVURJKSA-N 0 3 337.423 2.061 40 0 EEABHN CCOc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ncn1 ZINC000225532427 464169047 /nfs/dbraw/zinc/16/90/47/464169047.db2.gz SXXBOSFLCOMGEK-UHFFFAOYSA-N 0 3 340.427 2.270 40 0 EEABHN C[C@@H]1CCN(C[C@@H](O)COc2ccccc2C(F)(F)F)C[C@H]1O ZINC000245338640 464470597 /nfs/dbraw/zinc/47/05/97/464470597.db2.gz NLHGRPZVYYHGQW-YRGRVCCFSA-N 0 3 333.350 2.148 40 0 EEABHN CN(C)CCn1ccc(NC(=O)N[C@H]2CCOc3c(F)cccc32)n1 ZINC000190014611 464585878 /nfs/dbraw/zinc/58/58/78/464585878.db2.gz NWYQZJWFWOYHGZ-AWEZNQCLSA-N 0 3 347.394 2.229 40 0 EEABHN O=S1(=O)CCC[C@H](NCCOc2cccc(C(F)(F)F)c2)C1 ZINC000182649157 464701590 /nfs/dbraw/zinc/70/15/90/464701590.db2.gz IUELCLWQNXGIOX-LBPRGKRZSA-N 0 3 337.363 2.251 40 0 EEABHN CN(C)[C@@H](CNCc1ccc(Br)o1)c1cnn(C)c1 ZINC000191115823 464779865 /nfs/dbraw/zinc/77/98/65/464779865.db2.gz CIMGKBJWJLKMTQ-LBPRGKRZSA-N 0 3 327.226 2.168 40 0 EEABHN c1ccc(N2CCN(C3CCN(C[C@@H]4CCCCO4)CC3)CC2)nc1 ZINC000252484447 464962562 /nfs/dbraw/zinc/96/25/62/464962562.db2.gz FWNSVPGEGWISPK-IBGZPJMESA-N 0 3 344.503 2.237 40 0 EEABHN O=C(CNC[C@@H]1CCCO1)NC[C@@H]1C[C@]12CCCc1ccccc12 ZINC000252490969 464966505 /nfs/dbraw/zinc/96/65/05/464966505.db2.gz LGTMERFVSLNSSA-ABSDTBQOSA-N 0 3 328.456 2.165 40 0 EEABHN CC[C@@H]1CN(CC(C)(C)O)[C@@H](CC)CN1C(=O)c1ccncc1F ZINC000252549077 464983353 /nfs/dbraw/zinc/98/33/53/464983353.db2.gz QSLKVQKCUFPYLY-UONOGXRCSA-N 0 3 337.439 2.307 40 0 EEABHN CC(=O)N1CC[C@H](CN(C)Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000187478445 526663026 /nfs/dbraw/zinc/66/30/26/526663026.db2.gz IPFSCDPNXIRLPQ-QGZVFWFLSA-N 0 3 344.434 2.371 40 0 EEABHN COc1nc2cc(C)ccc2cc1CN1C[C@@H]2C[C@@H](O)CN2C[C@@H]1C ZINC000019234265 202000776 /nfs/dbraw/zinc/00/07/76/202000776.db2.gz DTSAHAQPCFZXEE-JCGIZDLHSA-N 0 3 341.455 2.191 40 0 EEABHN CCCn1c2ccccc2nc1CN1C[C@@H]2C[C@@H](O)CN2C[C@H]1C ZINC000019526012 202009842 /nfs/dbraw/zinc/00/98/42/202009842.db2.gz FEJRJQUCGORUBE-OWCLPIDISA-N 0 3 328.460 2.086 40 0 EEABHN Cc1ccccc1NC(=O)CCN1CCCN(c2ncccn2)CC1 ZINC000072631923 202365229 /nfs/dbraw/zinc/36/52/29/202365229.db2.gz KSCUIQSDTVCRSR-UHFFFAOYSA-N 0 3 339.443 2.326 40 0 EEABHN O=C([C@H](CNCc1cccs1)c1ccccc1)N1CCOCC1 ZINC000078553736 202396256 /nfs/dbraw/zinc/39/62/56/202396256.db2.gz PVMKCKNNQIXLNY-QGZVFWFLSA-N 0 3 330.453 2.480 40 0 EEABHN Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(F)c3)[C@@]2(CN)CO)cc1 ZINC000218506128 241328278 /nfs/dbraw/zinc/32/82/78/241328278.db2.gz CCADMWIVQDUJHT-OKZBNKHCSA-N 0 3 349.427 2.011 40 0 EEABHN O=C(NC[C@H]1Cn2nccc2CN(C2CCCC2)C1)c1cscn1 ZINC000247486676 284002805 /nfs/dbraw/zinc/00/28/05/284002805.db2.gz KXCGCMBRSBKMRA-CYBMUJFWSA-N 0 3 345.472 2.144 40 0 EEABHN O=C(NCCCN1CCc2ccccc2C1)N[C@H]1CCCC[C@H]1O ZINC000242263293 243012222 /nfs/dbraw/zinc/01/22/22/243012222.db2.gz XXRIVNODLAGWQR-ZWKOTPCHSA-N 0 3 331.460 2.038 40 0 EEABHN Cc1noc(C)c1CN1C[C@]2(CCN(Cc3ccncc3)C2)CC1=O ZINC000096050957 203809486 /nfs/dbraw/zinc/80/94/86/203809486.db2.gz MHGUXFCASAJLSF-LJQANCHMSA-N 0 3 340.427 2.311 40 0 EEABHN Cc1cccc(CN2CC[C@]3(CCC[C@@H]3C(=O)N3CCOCC3)C2)n1 ZINC000108530056 204265424 /nfs/dbraw/zinc/26/54/24/204265424.db2.gz ORDOJSWLOSDEPK-UYAOXDASSA-N 0 3 343.471 2.241 40 0 EEABHN COC(=O)[C@H]1CC[C@H](C(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)CC1 ZINC000253431614 284386602 /nfs/dbraw/zinc/38/66/02/284386602.db2.gz HRJSAWHXWSCSBC-XSLAGTTESA-N 0 3 344.455 2.180 40 0 EEABHN Cc1ccc(CNCC2(C(N)=O)CCOCC2)c(Br)c1 ZINC000095435679 218378076 /nfs/dbraw/zinc/37/80/76/218378076.db2.gz PNFXSHHRVAEMOA-UHFFFAOYSA-N 0 3 341.249 2.129 40 0 EEABHN O=C(NCC1CCN(C[C@H](O)c2ccccc2)CC1)c1ccc[nH]1 ZINC000174853792 207065054 /nfs/dbraw/zinc/06/50/54/207065054.db2.gz QVTGZZANPSQZHY-SFHVURJKSA-N 0 3 327.428 2.190 40 0 EEABHN O=C(NC[C@H]1CO[C@@H]2CN(Cc3cccs3)C[C@H]12)c1ccncc1 ZINC000306144761 257926184 /nfs/dbraw/zinc/92/61/84/257926184.db2.gz ZNUNXLCBXNMBAY-USXIJHARSA-N 0 3 343.452 2.020 40 0 EEABHN CSc1ccccc1NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000096433699 278177068 /nfs/dbraw/zinc/17/70/68/278177068.db2.gz YJRGICLRTURDCE-CQSZACIVSA-N 0 3 336.505 2.414 40 0 EEABHN CC(=O)N[C@H]1CCCN(C(=O)CN[C@H](c2ccccc2C)C(C)C)C1 ZINC000195549872 278177982 /nfs/dbraw/zinc/17/79/82/278177982.db2.gz BVQLWDOKTILVAE-PXNSSMCTSA-N 0 3 345.487 2.409 40 0 EEABHN CN(C)C(=O)[C@@H]1CC[C@H](CN[C@H]2CCCOc3cc(F)ccc32)O1 ZINC000248458401 289007615 /nfs/dbraw/zinc/00/76/15/289007615.db2.gz UQANNWWQGPBWRL-KBMXLJTQSA-N 0 3 336.407 2.265 40 0 EEABHN Cc1noc([C@H](C)NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)n1 ZINC000332755261 312052744 /nfs/dbraw/zinc/05/27/44/312052744.db2.gz MZZKLFAUGWTCGL-CQDKDKBSSA-N 0 3 329.404 2.184 40 0 EEABHN Cc1nc2c(nnn2Cc2ccccc2)c(NCCN2CCCC2)n1 ZINC000001347403 462578875 /nfs/dbraw/zinc/57/88/75/462578875.db2.gz BQZBKMFNIBPWOE-UHFFFAOYSA-N 0 3 337.431 2.086 40 0 EEABHN C[C@@H](NC[C@H](O)COc1ccccc1)[C@H]1COc2ccccc2O1 ZINC000002097671 462588545 /nfs/dbraw/zinc/58/85/45/462588545.db2.gz CZLWUFZQTCVKEE-ZRGWGRIASA-N 0 3 329.396 2.244 40 0 EEABHN Cc1noc(C)c1CN1CCCC12CCN(C(=O)[C@@H]1CCCO1)CC2 ZINC000096075295 463169285 /nfs/dbraw/zinc/16/92/85/463169285.db2.gz YOLUUTRSQCGELB-KRWDZBQOSA-N 0 3 347.459 2.427 40 0 EEABHN Cc1cccc(CN2CCC[C@@]3(C[C@H](CN4CCOCC4)CO3)C2)n1 ZINC000096075586 463169551 /nfs/dbraw/zinc/16/95/51/463169551.db2.gz WAUJAMRVEFMVGK-UYAOXDASSA-N 0 3 345.487 2.093 40 0 EEABHN c1c2c(nn1Cc1ccccn1)[C@H](CNCc1cccnc1)OCC2 ZINC000096086894 463170927 /nfs/dbraw/zinc/17/09/27/463170927.db2.gz KCAUDCXAZFZGCV-SFHVURJKSA-N 0 3 335.411 2.125 40 0 EEABHN CCC(=O)N1CCC2(C[C@H](COC)N(Cc3cccnc3)C2)CC1 ZINC000096206223 463208437 /nfs/dbraw/zinc/20/84/37/463208437.db2.gz JSYCNWXEGDMCBR-QGZVFWFLSA-N 0 3 331.460 2.321 40 0 EEABHN CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(CCc3ccccc3)C2)C1 ZINC000096208005 463210112 /nfs/dbraw/zinc/21/01/12/463210112.db2.gz JUMAPBRIPVSLBE-PKOBYXMFSA-N 0 3 331.460 2.124 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CC[C@@H](CN(C)C(=O)OCc2ccccc2)C1 ZINC000079413189 463212259 /nfs/dbraw/zinc/21/22/59/463212259.db2.gz MTAGJAIBXCJFJF-IRXDYDNUSA-N 0 3 347.459 2.087 40 0 EEABHN Cn1cc(CNCCn2c3ccccc3oc2=O)c(-c2ccncc2)n1 ZINC000096404595 463239097 /nfs/dbraw/zinc/23/90/97/463239097.db2.gz ZYQNCQIPAZDLJE-UHFFFAOYSA-N 0 3 349.394 2.180 40 0 EEABHN CC(C)=CC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000096414151 463247468 /nfs/dbraw/zinc/24/74/68/463247468.db2.gz POSMQQMUNCCTDT-UHFFFAOYSA-N 0 3 331.460 2.242 40 0 EEABHN O=C(NCc1ccccc1CN1CCC(O)CC1)N1C[C@H]2CC[C@@H]1C2 ZINC000096455191 463275432 /nfs/dbraw/zinc/27/54/32/463275432.db2.gz IEPQDNUQGSNSMB-MAUKXSAKSA-N 0 3 343.471 2.337 40 0 EEABHN CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CCC[C@H](C2CC2)C1 ZINC000096499788 463290790 /nfs/dbraw/zinc/29/07/90/463290790.db2.gz YYZLYUARFCOPRF-ROUUACIJSA-N 0 3 336.524 2.234 40 0 EEABHN Cc1csc(C(=O)N2CCO[C@H](CN(C)C)C2)c1Br ZINC000190938866 464749003 /nfs/dbraw/zinc/74/90/03/464749003.db2.gz QYMLOXKJSUOJSF-SNVBAGLBSA-N 0 3 347.278 2.222 40 0 EEABHN CN1CC[C@H](Nc2cc(-n3cccn3)nc(N)n2)[C@H]1c1ccccc1 ZINC000252538988 464983058 /nfs/dbraw/zinc/98/30/58/464983058.db2.gz NPJVCTDKZDTPRZ-WMLDXEAASA-N 0 3 335.415 2.102 40 0 EEABHN C[C@@H](C(=O)N[C@@H]1C=C[C@H](CO)C1)N1CCC(Cc2ccccc2)CC1 ZINC000253416391 465004077 /nfs/dbraw/zinc/00/40/77/465004077.db2.gz PKXZYGJALYXRIL-FFZOFVMBSA-N 0 3 342.483 2.383 40 0 EEABHN Cc1ncsc1CN1C[C@H]2OC[C@@H](CNc3ccccn3)[C@H]2C1 ZINC000306134504 466491933 /nfs/dbraw/zinc/49/19/33/466491933.db2.gz NPJRKJLXSQLRMA-RBSFLKMASA-N 0 3 330.457 2.405 40 0 EEABHN COc1cc(C)ccc1NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000390835458 467415292 /nfs/dbraw/zinc/41/52/92/467415292.db2.gz OEKBQEHTQWYXGQ-UHFFFAOYSA-N 0 3 334.464 2.151 40 0 EEABHN Cc1ccc(N2C[C@@]3(CCN(C(=O)CN(C)C(C)C)C3)CC2=O)cc1 ZINC000585101576 468968943 /nfs/dbraw/zinc/96/89/43/468968943.db2.gz TZDMUHDRIYKBAZ-FQEVSTJZSA-N 0 3 343.471 2.291 40 0 EEABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2cccc(OC)c2)c1 ZINC000585182274 468995448 /nfs/dbraw/zinc/99/54/48/468995448.db2.gz NAQPSFPTOKNUIF-LJQANCHMSA-N 0 3 339.439 2.201 40 0 EEABHN CN(C)C[C@H](NC(=O)NCCc1cnccn1)c1ccc(Cl)cc1 ZINC000225790247 535952227 /nfs/dbraw/zinc/95/22/27/535952227.db2.gz IKKSVTBJRUEULM-INIZCTEOSA-N 0 3 347.850 2.275 40 0 EEABHN CN(C)CCn1ccc(NC(=O)N2CCC[C@H]2c2cccn2C)n1 ZINC000173947001 282114999 /nfs/dbraw/zinc/11/49/99/282114999.db2.gz CBCBWJPHHYUMJB-HNNXBMFYSA-N 0 3 330.436 2.152 40 0 EEABHN CCN(C(=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000100178065 219094386 /nfs/dbraw/zinc/09/43/86/219094386.db2.gz FGPHERTWWGZSFL-IYBDPMFKSA-N 0 3 333.432 2.031 40 0 EEABHN CCn1nc(C)c(C[N@@H+]2CCc3nc(C(C)C)[n-]c(=O)c3CC2)c1C ZINC000019523836 202010696 /nfs/dbraw/zinc/01/06/96/202010696.db2.gz ZVFIIIFITCWKNQ-UHFFFAOYSA-N 0 3 343.475 2.327 40 0 EEABHN CCn1nc(C)c(C[N@H+]2CCc3nc(C(C)C)[n-]c(=O)c3CC2)c1C ZINC000019523836 202010700 /nfs/dbraw/zinc/01/07/00/202010700.db2.gz ZVFIIIFITCWKNQ-UHFFFAOYSA-N 0 3 343.475 2.327 40 0 EEABHN CCOC[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)CC ZINC000218483455 241326185 /nfs/dbraw/zinc/32/61/85/241326185.db2.gz NNSYYNHRRXZOLI-QLFBSQMISA-N 0 3 331.865 2.222 40 0 EEABHN CN(C)C[C@@H]1CN(C(=O)CC2Cc3ccccc3C2)Cc2cncn21 ZINC000248067731 243517429 /nfs/dbraw/zinc/51/74/29/243517429.db2.gz AFTIHXXEKSTLRC-LJQANCHMSA-N 0 3 338.455 2.133 40 0 EEABHN Cc1cc(N)cc([C@@H]2CN(C(=O)c3noc4c3CCCC4)CCO2)n1 ZINC000257210521 244150100 /nfs/dbraw/zinc/15/01/00/244150100.db2.gz BUZLTHDVIUXIBR-INIZCTEOSA-N 0 3 342.399 2.053 40 0 EEABHN COc1cccc(-c2noc([C@@H]3CCN(Cc4cnn(C)c4)C3)n2)c1 ZINC000072369908 203209659 /nfs/dbraw/zinc/20/96/59/203209659.db2.gz JAKQFGGYFPSSSR-OAHLLOKOSA-N 0 3 339.399 2.468 40 0 EEABHN COc1cc(C)c(S(=O)(=O)NCCCN2CCCC2)c(C)c1 ZINC000073743676 203273359 /nfs/dbraw/zinc/27/33/59/203273359.db2.gz JXQLGBLBDVEOOI-UHFFFAOYSA-N 0 3 326.462 2.076 40 0 EEABHN O=C1N(Cc2ccccn2)CCC12CCN(Cc1cccnc1)CC2 ZINC000096046902 203805198 /nfs/dbraw/zinc/80/51/98/203805198.db2.gz USLVUEGBWIPOGY-UHFFFAOYSA-N 0 3 336.439 2.491 40 0 EEABHN Cc1cccc(CN2CCC3(CC2)C[C@@H](NC(=O)C2CC2)CCO3)n1 ZINC000108527512 204265288 /nfs/dbraw/zinc/26/52/88/204265288.db2.gz ZTTZDYAUHSSLNJ-KRWDZBQOSA-N 0 3 343.471 2.430 40 0 EEABHN Cn1cc(CN2CCC3(CCC(=O)N(CC4CCC4)C3)CC2)cn1 ZINC000108529826 204266369 /nfs/dbraw/zinc/26/63/69/204266369.db2.gz PZYIGVZMPAPIPM-UHFFFAOYSA-N 0 3 330.476 2.425 40 0 EEABHN CO[C@H]1CC[C@@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000187862153 533257811 /nfs/dbraw/zinc/25/78/11/533257811.db2.gz NULMVCYXICDMKD-MSOLQXFVSA-N 0 3 331.460 2.471 40 0 EEABHN CNC(=O)c1cnn2c1nccc2[C@H]1CCCN(Cc2ccccc2)C1 ZINC000257280316 277261889 /nfs/dbraw/zinc/26/18/89/277261889.db2.gz OKJNURPLQMNTNG-INIZCTEOSA-N 0 3 349.438 2.469 40 0 EEABHN CC(C)N(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[C@H](C)N ZINC000079391301 279447107 /nfs/dbraw/zinc/44/71/07/279447107.db2.gz NNBDYIRKESTIJM-UONOGXRCSA-N 0 3 327.469 2.218 40 0 EEABHN CC(C)[C@H](N)C(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000079391416 280271368 /nfs/dbraw/zinc/27/13/68/280271368.db2.gz JCVVWZCSBJQEEP-RUXDESIVSA-N 0 3 327.469 2.264 40 0 EEABHN CN(C)C(=O)[C@@H]1CC[C@H](CN[C@@H]2CCCOc3cc(F)ccc32)O1 ZINC000182178843 323367334 /nfs/dbraw/zinc/36/73/34/323367334.db2.gz UQANNWWQGPBWRL-BMFZPTHFSA-N 0 3 336.407 2.265 40 0 EEABHN O=S1(=O)CCC[C@H](NC[C@@H]2CCCN2CC2CCCCC2)C1 ZINC000195549796 323514308 /nfs/dbraw/zinc/51/43/08/323514308.db2.gz AVDSEJIAOGQUCC-IRXDYDNUSA-N 0 3 328.522 2.198 40 0 EEABHN COC(=O)c1cn(C2CCN(Cc3cc(F)ccc3C)CC2)nn1 ZINC000184757746 465024613 /nfs/dbraw/zinc/02/46/13/465024613.db2.gz SRVUGRGDZCGGSO-UHFFFAOYSA-N 0 3 332.379 2.349 40 0 EEABHN COC[C@@H]1CC2(CN1Cc1ccncc1)CCN(C(=O)N(C)C)CC2 ZINC000096215749 463213421 /nfs/dbraw/zinc/21/34/21/463213421.db2.gz NLFKTNLQGLFZIR-KRWDZBQOSA-N 0 3 346.475 2.066 40 0 EEABHN CNC(=O)c1cc2c(nc1N(C)C)CCN(Cc1ccc(C)o1)CC2 ZINC000096260306 463229747 /nfs/dbraw/zinc/22/97/47/463229747.db2.gz GBGMYAHNXYDIGY-UHFFFAOYSA-N 0 3 342.443 2.009 40 0 EEABHN C[C@H](CNC(=O)Nc1cc(F)c(F)cc1F)CN1CCN(C)CC1 ZINC000096434671 463262111 /nfs/dbraw/zinc/26/21/11/463262111.db2.gz BNKUMHNRWYWPOE-LLVKDONJSA-N 0 3 344.381 2.109 40 0 EEABHN Cc1cc(N)cc([C@@H]2CN(C(=O)c3cc(C(C)(C)C)n[nH]3)CCO2)n1 ZINC000257311470 463773824 /nfs/dbraw/zinc/77/38/24/463773824.db2.gz UJPLAQSUZTUXAO-HNNXBMFYSA-N 0 3 343.431 2.207 40 0 EEABHN Cc1ccsc1C(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257335859 463782807 /nfs/dbraw/zinc/78/28/07/463782807.db2.gz YMFHHLASZVUFAZ-OAHLLOKOSA-N 0 3 344.427 2.365 40 0 EEABHN C[C@H](O)[C@H]1CCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000195571340 464079301 /nfs/dbraw/zinc/07/93/01/464079301.db2.gz IKJSCECHGJNROI-XKGZKEIXSA-N 0 3 345.487 2.453 40 0 EEABHN Cc1ncsc1CN(C)C[C@H]1CCN(c2ncnc3nc[nH]c32)C1 ZINC000225604007 464174737 /nfs/dbraw/zinc/17/47/37/464174737.db2.gz QDQUBCKQNIPTQE-GFCCVEGCSA-N 0 3 343.460 2.076 40 0 EEABHN CCOC[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)CC ZINC000242574978 464457095 /nfs/dbraw/zinc/45/70/95/464457095.db2.gz NNSYYNHRRXZOLI-RRFJBIMHSA-N 0 3 331.865 2.222 40 0 EEABHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCc1cnc(C2CC2)nc1 ZINC000253413924 465003655 /nfs/dbraw/zinc/00/36/55/465003655.db2.gz MOXUYIYNYNOVMX-SJORKVTESA-N 0 3 343.475 2.165 40 0 EEABHN CN(CC(=O)N1CC[C@@H](O)[C@H](Cc2cccc(F)c2)C1)C1CCCC1 ZINC000585276902 469001915 /nfs/dbraw/zinc/00/19/15/469001915.db2.gz PUTOKXJCWIWWKV-VQIMIIECSA-N 0 3 348.462 2.452 40 0 EEABHN Cc1ccc([C@H](CN[C@@H]2CCCc3nn(C)cc32)N2CCOCC2)o1 ZINC000684554213 485923524 /nfs/dbraw/zinc/92/35/24/485923524.db2.gz ZDZVERMZVLODLZ-AEFFLSMTSA-N 0 3 344.459 2.362 40 0 EEABHN CN(CCC(=O)N1CCC[C@H]1c1ccncn1)Cc1cccnc1 ZINC000257229426 536303655 /nfs/dbraw/zinc/30/36/55/536303655.db2.gz FYCJZQATKFOMFB-KRWDZBQOSA-N 0 3 325.416 2.057 40 0 EEABHN Cc1nn(C)c(C)c1/C=C/C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000066992462 215101381 /nfs/dbraw/zinc/10/13/81/215101381.db2.gz HXCBNJHBVKCCSX-IENJSVCTSA-N 0 3 326.444 2.469 40 0 EEABHN O=C(c1ccccc1F)N1C[C@H]2CCC[C@@H](C1)C2N1CCOCC1 ZINC000019347428 202005105 /nfs/dbraw/zinc/00/51/05/202005105.db2.gz RYYCSITVVYCUQD-MVVMVCHASA-N 0 3 332.419 2.399 40 0 EEABHN COc1ccc(CN2CCCN(C(=O)c3cnc(C)[nH]3)CC2)cc1 ZINC000264771321 201213030 /nfs/dbraw/zinc/21/30/30/201213030.db2.gz VKTQJOUIJOZJDI-UHFFFAOYSA-N 0 3 328.416 2.075 40 0 EEABHN Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(F)cc3)[C@@]2(CN)CO)cc1 ZINC000218501757 241326541 /nfs/dbraw/zinc/32/65/41/241326541.db2.gz OUXRPUDVMCRVIM-OKZBNKHCSA-N 0 3 349.427 2.011 40 0 EEABHN CN1CCC[C@@H](c2cnc(-c3ccc(S(C)(=O)=O)cc3)cn2)C1 ZINC000072360758 203206526 /nfs/dbraw/zinc/20/65/26/203206526.db2.gz DDEBUBVLGIKMDV-CQSZACIVSA-N 0 3 331.441 2.356 40 0 EEABHN CNCC(=O)N1CCC(c2cccc(Nc3cccc(C)n3)n2)CC1 ZINC000257257344 244284554 /nfs/dbraw/zinc/28/45/54/244284554.db2.gz KPDHOLULPDLLMC-UHFFFAOYSA-N 0 3 339.443 2.454 40 0 EEABHN O=C(c1cccnc1)N1CCCC2(CCN([C@H]3CCOC3)CC2)C1 ZINC000096063031 296264359 /nfs/dbraw/zinc/26/43/59/296264359.db2.gz BOHYNGQYRHIDMI-KRWDZBQOSA-N 0 3 329.444 2.189 40 0 EEABHN Cc1ccc(N2CCCN(Cc3c[nH]nc3-c3cccnc3)CC2)nn1 ZINC000093272176 218209073 /nfs/dbraw/zinc/20/90/73/218209073.db2.gz XPXNGUPVLDUSIA-UHFFFAOYSA-N 0 3 349.442 2.282 40 0 EEABHN Cc1ccccc1C(=O)N1CC[C@@H](N(C)C)[C@@H]1Cc1cnn(C)c1 ZINC000096200916 302079949 /nfs/dbraw/zinc/07/99/49/302079949.db2.gz GTTRHBNUKDSKQF-MSOLQXFVSA-N 0 3 326.444 2.116 40 0 EEABHN Cc1cc2nc(C3CCN(Cc4cnn(C)c4C)CC3)cc(N)n2n1 ZINC000012121548 462843537 /nfs/dbraw/zinc/84/35/37/462843537.db2.gz LTJZIVIEPHWGRY-UHFFFAOYSA-N 0 3 339.447 2.041 40 0 EEABHN C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000019078940 463014870 /nfs/dbraw/zinc/01/48/70/463014870.db2.gz QPMXUSOOXIMKNZ-ZIAGYGMSSA-N 0 3 334.416 2.125 40 0 EEABHN Cc1ccc([C@@H]2[C@H](C)CCCN2C[C@H](O)CN2C(=O)CCC2=O)cc1 ZINC000095399534 463075950 /nfs/dbraw/zinc/07/59/50/463075950.db2.gz DRYPEEUKLBVCJN-SYNHAJSKSA-N 0 3 344.455 2.278 40 0 EEABHN O=C1N(Cc2cccnc2)CC[C@]12CCCN(Cc1cccnc1)C2 ZINC000096048630 463151566 /nfs/dbraw/zinc/15/15/66/463151566.db2.gz YVMPGJALLARIRU-FQEVSTJZSA-N 0 3 336.439 2.491 40 0 EEABHN CC(C)N(C[C@H]1CCCCN1C(=O)CN)C(=O)OCc1ccccc1 ZINC000079412505 463212276 /nfs/dbraw/zinc/21/22/76/463212276.db2.gz OFRDPSWPPDAHBJ-QGZVFWFLSA-N 0 3 347.459 2.373 40 0 EEABHN CNC(=O)c1cc2c(nc1N(C)C)CCN(Cc1ccccc1)CC2 ZINC000096260308 463230069 /nfs/dbraw/zinc/23/00/69/463230069.db2.gz BMLFRYWYTUKUJP-UHFFFAOYSA-N 0 3 338.455 2.108 40 0 EEABHN CCN(CC)CCNC(=O)C(=O)Nc1cccc(-c2ncc(C)o2)c1 ZINC000096410735 463243592 /nfs/dbraw/zinc/24/35/92/463243592.db2.gz UGNPCMKVAYQEPL-UHFFFAOYSA-N 0 3 344.415 2.047 40 0 EEABHN CCN1CCN(c2ccc(C(=O)N3CCC[C@@H](COC)C3)cc2)CC1 ZINC000096427217 463256896 /nfs/dbraw/zinc/25/68/96/463256896.db2.gz SGASWGWMKQZNNS-QGZVFWFLSA-N 0 3 345.487 2.327 40 0 EEABHN O=c1cc(CN2CCC[C@@H]2C[C@H](O)c2ccccc2)[nH]c2ccnn21 ZINC000096443590 463268327 /nfs/dbraw/zinc/26/83/27/463268327.db2.gz VIGFHLLJYSMZJB-SJORKVTESA-N 0 3 338.411 2.111 40 0 EEABHN Cc1cc(NC(=O)N[C@H](C)CN(C)Cc2ccccc2)c[nH]c1=O ZINC000096493147 463287812 /nfs/dbraw/zinc/28/78/12/463287812.db2.gz POXBXIHGDLMPQY-CQSZACIVSA-N 0 3 328.416 2.325 40 0 EEABHN Cn1nccc1CCN[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000097095017 463321921 /nfs/dbraw/zinc/32/19/21/463321921.db2.gz PDOJJPDFBZHFPG-QZTJIDSGSA-N 0 3 348.878 2.278 40 0 EEABHN Cc1cc(C)cc(C(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)c1 ZINC000224309658 464151371 /nfs/dbraw/zinc/15/13/71/464151371.db2.gz HQVYRSHWCBDUNN-UHFFFAOYSA-N 0 3 339.443 2.122 40 0 EEABHN O=C(NC[C@@H]1Cn2nccc2CN(C2CCCC2)C1)c1cscn1 ZINC000247486686 464685079 /nfs/dbraw/zinc/68/50/79/464685079.db2.gz KXCGCMBRSBKMRA-ZDUSSCGKSA-N 0 3 345.472 2.144 40 0 EEABHN CC(=O)Nc1ccc(CN2CCC(c3nc(N(C)C)no3)CC2)cc1 ZINC000190978295 464754575 /nfs/dbraw/zinc/75/45/75/464754575.db2.gz AXCOMKFRNOYRAQ-UHFFFAOYSA-N 0 3 343.431 2.474 40 0 EEABHN C[C@H]1CN(CC2CCN(C(=O)C3SCCS3)CC2)C[C@H](C)O1 ZINC000253416059 465004966 /nfs/dbraw/zinc/00/49/66/465004966.db2.gz SLYLXYAUIVTFLI-STQMWFEESA-N 0 3 344.546 2.140 40 0 EEABHN C[C@@H]1CN(CC2CCN(C(=O)C3SCCS3)CC2)C[C@@H](C)O1 ZINC000253416058 465005183 /nfs/dbraw/zinc/00/51/83/465005183.db2.gz SLYLXYAUIVTFLI-CHWSQXEVSA-N 0 3 344.546 2.140 40 0 EEABHN CC(C(=O)NC[C@@H]1CCCO1)S(=O)(=O)C1CCC(C)(C)CC1 ZINC000330976024 465881734 /nfs/dbraw/zinc/88/17/34/465881734.db2.gz UCHHOLLGNPCBBJ-STQMWFEESA-N 0 3 331.478 2.054 40 0 EEABHN O=C1CCCN1C[C@H]1CO[C@@H]2CN(Cc3cccc4[nH]ccc43)C[C@H]12 ZINC000306141539 466494318 /nfs/dbraw/zinc/49/43/18/466494318.db2.gz VZKILATVRHEDRU-KVSKMBFKSA-N 0 3 339.439 2.237 40 0 EEABHN O=C(NCCc1ccccc1)NCC1CCN([C@@H]2CCOC2)CC1 ZINC000575606949 468146588 /nfs/dbraw/zinc/14/65/88/468146588.db2.gz NCCYRDRNWTYTHP-GOSISDBHSA-N 0 3 331.460 2.029 40 0 EEABHN Cc1ccccc1CC(=O)N1Cc2ccnn2CC[C@H]1CN(C)C ZINC000585096999 468964386 /nfs/dbraw/zinc/96/43/86/468964386.db2.gz GNODTPHMLJPHNB-KRWDZBQOSA-N 0 3 326.444 2.097 40 0 EEABHN Cc1cc(F)ccc1CC(=O)N1Cc2ccnn2CC[C@H]1CN(C)C ZINC000585098533 468967599 /nfs/dbraw/zinc/96/75/99/468967599.db2.gz ZFKISVVWPOHCOJ-KRWDZBQOSA-N 0 3 344.434 2.236 40 0 EEABHN CCCCN1CCC[C@]2(CC(C(=O)N3CC(F)(C4CC4)C3)=NO2)C1 ZINC000585101153 468969177 /nfs/dbraw/zinc/96/91/77/468969177.db2.gz JZXUJGVOAKMPFH-KRWDZBQOSA-N 0 3 337.439 2.358 40 0 EEABHN C[C@H](CN1CCCCC1)NC(=O)c1cc(-c2csc(N)n2)c[nH]1 ZINC000585140783 468990194 /nfs/dbraw/zinc/99/01/94/468990194.db2.gz JPLICJQJSONHMN-LLVKDONJSA-N 0 3 333.461 2.325 40 0 EEABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2ccc(F)cc2)c1 ZINC000585182255 468996351 /nfs/dbraw/zinc/99/63/51/468996351.db2.gz BQEXBBKRTIGCBU-GOSISDBHSA-N 0 3 327.403 2.332 40 0 EEABHN O=C(C[C@H]1CN(Cc2cccc3cccnc32)C[C@@H]1O)N1CCCC1 ZINC000585277509 469001864 /nfs/dbraw/zinc/00/18/64/469001864.db2.gz IBLNHFURYGJHLD-ROUUACIJSA-N 0 3 339.439 2.040 40 0 EEABHN Cc1cccc(CC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)c1 ZINC000019234795 524340772 /nfs/dbraw/zinc/34/07/72/524340772.db2.gz ITWXNXGWWYJWLK-SFHVURJKSA-N 0 3 336.439 2.337 40 0 EEABHN COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[n-]c(=O)c2C3)cc1 ZINC000019286358 202002796 /nfs/dbraw/zinc/00/27/96/202002796.db2.gz HCFBITRWWRFUEI-CABCVRRESA-N 0 3 325.412 2.219 40 0 EEABHN COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[n-]c(=O)c2C3)cc1 ZINC000019286358 202002799 /nfs/dbraw/zinc/00/27/99/202002799.db2.gz HCFBITRWWRFUEI-CABCVRRESA-N 0 3 325.412 2.219 40 0 EEABHN CC(C)[N@@H+]1CCc2c(nc([C@H]3CCCCN3C(=O)C3CC3)[n-]c2=O)C1 ZINC000019448327 202007874 /nfs/dbraw/zinc/00/78/74/202007874.db2.gz GQBZFCJRMVBGFQ-MRXNPFEDSA-N 0 3 344.459 2.412 40 0 EEABHN CC(C)[N@H+]1CCc2c(nc([C@H]3CCCCN3C(=O)C3CC3)[n-]c2=O)C1 ZINC000019448327 202007878 /nfs/dbraw/zinc/00/78/78/202007878.db2.gz GQBZFCJRMVBGFQ-MRXNPFEDSA-N 0 3 344.459 2.412 40 0 EEABHN CCN1CCN(CCC(=O)N2C[C@H](C)OC[C@@H]2c2ccccc2)CC1 ZINC000074196529 202373648 /nfs/dbraw/zinc/37/36/48/202373648.db2.gz IJECZHVRFBQNEQ-PKOBYXMFSA-N 0 3 345.487 2.003 40 0 EEABHN C[C@@H]1CN(C(=O)NCC2CCN(Cc3ccccc3F)CC2)CCO1 ZINC000078657132 202398191 /nfs/dbraw/zinc/39/81/91/202398191.db2.gz PFWGCQBBYQCEEU-OAHLLOKOSA-N 0 3 349.450 2.468 40 0 EEABHN CNCC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000193140339 240037175 /nfs/dbraw/zinc/03/71/75/240037175.db2.gz LHMXEMGLOKWCSP-UHFFFAOYSA-N 0 3 325.128 2.304 40 0 EEABHN S=C(NC[C@@H]1CCCO1)NC1CCN(Cc2cccs2)CC1 ZINC000225231575 241812282 /nfs/dbraw/zinc/81/22/82/241812282.db2.gz DOODQJFMNJDRDT-AWEZNQCLSA-N 0 3 339.530 2.356 40 0 EEABHN c1csc(COC[C@@H]2CC[C@@H]3[C@H]2OCCN3C[C@@H]2CCOC2)n1 ZINC000253595487 244027625 /nfs/dbraw/zinc/02/76/25/244027625.db2.gz FEKPTVAAXMGMDN-MPTYRVRUSA-N 0 3 338.473 2.176 40 0 EEABHN CCOc1ccccc1CN1CC[C@H](O)[C@@H](NC(=O)C(C)C)CC1 ZINC000257267202 244363614 /nfs/dbraw/zinc/36/36/14/244363614.db2.gz MGJACVWJDZGWKM-IRXDYDNUSA-N 0 3 334.460 2.183 40 0 EEABHN NC(=O)[C@@H]1CCCN(Cc2cccc(NC(=O)C3=COCCC3)c2)C1 ZINC000095393216 218325188 /nfs/dbraw/zinc/32/51/88/218325188.db2.gz JYOPDUROXDHVKI-OAHLLOKOSA-N 0 3 343.427 2.017 40 0 EEABHN c1csc(CN2CC[C@]3(C2)COCCN(c2ncccn2)C3)c1 ZINC000096062408 275075029 /nfs/dbraw/zinc/07/50/29/275075029.db2.gz AHFRGUAPLXZNPP-QGZVFWFLSA-N 0 3 330.457 2.267 40 0 EEABHN CN1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)C1 ZINC000097234355 323321558 /nfs/dbraw/zinc/32/15/58/323321558.db2.gz GGUNTMYYSPYNNS-TVFCKZIOSA-N 0 3 345.491 2.493 40 0 EEABHN CN1CCC(NC(=S)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000063144473 462631900 /nfs/dbraw/zinc/63/19/00/462631900.db2.gz BEPWRDLMUKMONV-UHFFFAOYSA-N 0 3 332.473 2.194 40 0 EEABHN Cc1cc(-c2cnc(NCCN(C)C)nc2-c2cnc(C)cn2)on1 ZINC000012154464 462845369 /nfs/dbraw/zinc/84/53/69/462845369.db2.gz RRYHMRXHTHYMJS-UHFFFAOYSA-N 0 3 339.403 2.179 40 0 EEABHN COc1ccc([C@@H](N)c2nc(CNc3ccccc3)n[nH]2)cc1OC ZINC000095533827 463106261 /nfs/dbraw/zinc/10/62/61/463106261.db2.gz XDEFATUOXZXNAZ-QGZVFWFLSA-N 0 3 339.399 2.482 40 0 EEABHN COc1cccc(NCc2n[nH]c([C@@H](N)c3cccc(OC)c3)n2)c1 ZINC000095533552 463106753 /nfs/dbraw/zinc/10/67/53/463106753.db2.gz ODTVUUCYTCKZKE-KRWDZBQOSA-N 0 3 339.399 2.482 40 0 EEABHN Cc1ccc(CN2C[C@@H]3CN(C(=O)c4cnccn4)C[C@@H]3C2)s1 ZINC000096038530 463144254 /nfs/dbraw/zinc/14/42/54/463144254.db2.gz SPJUFVQXLGZTNZ-OKILXGFUSA-N 0 3 328.441 2.051 40 0 EEABHN Cn1cc(CN2CCC[C@@]3(CCN(Cc4ccccn4)C3)C2)cn1 ZINC000096046992 463150743 /nfs/dbraw/zinc/15/07/43/463150743.db2.gz PLGXCMOWJVBBFJ-LJQANCHMSA-N 0 3 325.460 2.303 40 0 EEABHN Cc1cccc(CO[C@@H]2C[C@@H]3CN(Cc4ccncc4)CCN3C2)n1 ZINC000096055102 463156906 /nfs/dbraw/zinc/15/69/06/463156906.db2.gz VOWBXNOHCFWEGQ-WOJBJXKFSA-N 0 3 338.455 2.260 40 0 EEABHN c1cncc(COC[C@]23COC[C@H]2CN(Cc2ccncc2)C3)c1 ZINC000096108871 463177314 /nfs/dbraw/zinc/17/73/14/463177314.db2.gz JBFVFRCZASFWEZ-RTBURBONSA-N 0 3 325.412 2.142 40 0 EEABHN C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCC(=O)N1CCC1 ZINC000096405359 463239061 /nfs/dbraw/zinc/23/90/61/463239061.db2.gz VMSHJFNRXAGLTP-KSSFIOAISA-N 0 3 339.480 2.282 40 0 EEABHN Cc1cc(N2CC[C@H](N[C@H](C)CCc3ccc(O)cc3)C2=O)n(C)n1 ZINC000136472001 463241906 /nfs/dbraw/zinc/24/19/06/463241906.db2.gz USZJWKGMMDFARV-DYVFJYSZSA-N 0 3 342.443 2.150 40 0 EEABHN C[C@H](NC[C@@](C)(O)c1cnn(C)c1)c1ccc(N2CCCC2=O)cc1 ZINC000096478317 463281435 /nfs/dbraw/zinc/28/14/35/463281435.db2.gz BZRANVVVFBOBKZ-IFXJQAMLSA-N 0 3 342.443 2.105 40 0 EEABHN CN(C)CCn1nnnc1SCc1csc(-c2ccccn2)n1 ZINC000096482518 463281617 /nfs/dbraw/zinc/28/16/17/463281617.db2.gz IHUUYIFTUYYFII-UHFFFAOYSA-N 0 3 347.473 2.046 40 0 EEABHN Cn1ccc2ccnc(CC3CN(C(=O)CN4CCCCCC4)C3)c21 ZINC000257318590 463776217 /nfs/dbraw/zinc/77/62/17/463776217.db2.gz VOPIAXLDBLBHCV-UHFFFAOYSA-N 0 3 340.471 2.450 40 0 EEABHN O=C(Nc1cnn(-c2ccccn2)c1)N1CCC(N2CC=CC2)CC1 ZINC000195572666 464078374 /nfs/dbraw/zinc/07/83/74/464078374.db2.gz CNBQVSPCOFMGOM-UHFFFAOYSA-N 0 3 338.415 2.135 40 0 EEABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@]2(CN)CO)cc1 ZINC000242592447 464457546 /nfs/dbraw/zinc/45/75/46/464457546.db2.gz OUXRPUDVMCRVIM-KURKYZTESA-N 0 3 349.427 2.011 40 0 EEABHN Cc1nn(C)c(C)c1C(=O)N1CCCN(C2CCSCC2)CC1 ZINC000575605380 468145755 /nfs/dbraw/zinc/14/57/55/468145755.db2.gz FAMGQUWNDWXKAH-UHFFFAOYSA-N 0 3 336.505 2.080 40 0 EEABHN CNC(=O)C[C@@H]1CN(CCCOc2ccccc2F)CC[C@H]1OC ZINC000585275586 468998709 /nfs/dbraw/zinc/99/87/09/468998709.db2.gz HAKJPRKYNMRHKU-GDBMZVCRSA-N 0 3 338.423 2.068 40 0 EEABHN CC(C)(CN1CCC(Oc2ncccc2F)CC1)N1CCOCC1 ZINC000639110736 470392326 /nfs/dbraw/zinc/39/23/26/470392326.db2.gz QBMFUVNZPFXQOW-UHFFFAOYSA-N 0 3 337.439 2.175 40 0 EEABHN CN1CCC(c2nccnc2CNC(=O)Cc2ccccc2F)CC1 ZINC000257207223 536346363 /nfs/dbraw/zinc/34/63/63/536346363.db2.gz BGVXGVDBAPNFEK-UHFFFAOYSA-N 0 3 342.418 2.284 40 0 EEABHN O=C(Cc1ccccc1F)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019348127 202006318 /nfs/dbraw/zinc/00/63/18/202006318.db2.gz HUVSGEYGDYLAQM-KRWDZBQOSA-N 0 3 340.402 2.168 40 0 EEABHN CC(C)n1c2ccccc2nc1CN1C[C@H]2C[C@@H](O)CN2C[C@H]1C ZINC000019575351 202013372 /nfs/dbraw/zinc/01/33/72/202013372.db2.gz VTHCNUCNRJQSNG-BZUAXINKSA-N 0 3 328.460 2.257 40 0 EEABHN COCCNC(=O)c1cc([C@H]2CCCN(Cc3ccccc3)C2)no1 ZINC000019593550 202014822 /nfs/dbraw/zinc/01/48/22/202014822.db2.gz JGQVRVCASXVEOU-INIZCTEOSA-N 0 3 343.427 2.430 40 0 EEABHN CN1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)C1 ZINC000245914357 283096558 /nfs/dbraw/zinc/09/65/58/283096558.db2.gz GGUNTMYYSPYNNS-XDNAFOTISA-N 0 3 345.491 2.493 40 0 EEABHN CC(=O)N1CC2(CCN(Cc3ncccc3C)CC2)C[C@H](O)C1(C)C ZINC000257202331 244125030 /nfs/dbraw/zinc/12/50/30/244125030.db2.gz ALHUISXAKCBRQP-SFHVURJKSA-N 0 3 345.487 2.364 40 0 EEABHN CN(C)C(=O)c1c[nH]nc1C1(C)CCN(Cc2cccnc2)CC1 ZINC000072388871 203211704 /nfs/dbraw/zinc/21/17/04/203211704.db2.gz YMGPYZLXMVMHFS-UHFFFAOYSA-N 0 3 327.432 2.060 40 0 EEABHN CNCC(=O)N1CCC[C@@H](c2nccnc2Oc2cccc(F)c2)C1 ZINC000072363292 203205769 /nfs/dbraw/zinc/20/57/69/203205769.db2.gz RRWPDHSRHCYDNP-CYBMUJFWSA-N 0 3 344.390 2.333 40 0 EEABHN Cc1cccnc1CN1CCC2(CC1)C[C@@H](NC(=O)N(C)C)CCO2 ZINC000108527100 204265303 /nfs/dbraw/zinc/26/53/03/204265303.db2.gz JFNJMBYPWXOZRJ-INIZCTEOSA-N 0 3 346.475 2.175 40 0 EEABHN CC(C)n1cc([C@@H](C)NC[C@]2(N3CCOCC3)CCSC2)cn1 ZINC000095420907 218362213 /nfs/dbraw/zinc/36/22/13/218362213.db2.gz CRKLJBJPKDTDQI-NVXWUHKLSA-N 0 3 338.521 2.323 40 0 EEABHN O=C(NCc1cccc(CO)c1)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000096450980 218834256 /nfs/dbraw/zinc/83/42/56/218834256.db2.gz RNKGGPNZOSGTET-IPELMVKDSA-N 0 3 343.471 2.195 40 0 EEABHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)c1ccncc1Cl ZINC000097237863 219002815 /nfs/dbraw/zinc/00/28/15/219002815.db2.gz JHHCJRPEWMHXAP-OAHLLOKOSA-N 0 3 345.830 2.232 40 0 EEABHN CCN1C(=O)CC[C@@H](C(=O)N(C)CCN(C)C)[C@@H]1c1ccc(C)cc1 ZINC000257230383 285155250 /nfs/dbraw/zinc/15/52/50/285155250.db2.gz GCBSLCKYZHNYFO-MJGOQNOKSA-N 0 3 345.487 2.315 40 0 EEABHN CC(=O)N[C@@H]1CCCN(C(=O)CN[C@@H](c2ccccc2C)C(C)C)C1 ZINC000195549863 278142830 /nfs/dbraw/zinc/14/28/30/278142830.db2.gz BVQLWDOKTILVAE-YLJYHZDGSA-N 0 3 345.487 2.409 40 0 EEABHN Cc1ccc2c(c1)CN(Cc1cnc(C)nc1)[C@@H](CN(C)C)CO2 ZINC000019219401 281071582 /nfs/dbraw/zinc/07/15/82/281071582.db2.gz CXVVGSVWNNJSEU-SFHVURJKSA-N 0 3 326.444 2.418 40 0 EEABHN C[C@H](N)C(=O)N(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000079391346 298944390 /nfs/dbraw/zinc/94/43/90/298944390.db2.gz UBQGYDMOAMWPOW-GXTWGEPZSA-N 0 3 325.453 2.114 40 0 EEABHN COCCN1CCC[C@@H](NC(=O)N[C@H](c2nccs2)C2CC2)C1 ZINC000230110519 464202682 /nfs/dbraw/zinc/20/26/82/464202682.db2.gz GGMYLMVHWMORGR-KGLIPLIRSA-N 0 3 338.477 2.004 40 0 EEABHN O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CC[C@H](N2CCCC2)C1 ZINC000155506968 462901332 /nfs/dbraw/zinc/90/13/32/462901332.db2.gz XLQTZAJSAVALLM-KANFNMMFSA-N 0 3 325.456 2.452 40 0 EEABHN COc1ccc(CN2CCOC[C@@]3(CC[C@@H](CN(C)C)O3)C2)cc1 ZINC000096052289 463155822 /nfs/dbraw/zinc/15/58/22/463155822.db2.gz XZPJVHXPMILBAX-RBUKOAKNSA-N 0 3 334.460 2.007 40 0 EEABHN CN(C)CCn1nnnc1SCCc1ncc(-c2ccccc2)o1 ZINC000079102467 463189909 /nfs/dbraw/zinc/18/99/09/463189909.db2.gz QNKKKKVHSBVAII-UHFFFAOYSA-N 0 3 344.444 2.225 40 0 EEABHN C[C@H](N)C(=O)N(C[C@@H]1CCCN1C(=O)OCc1ccccc1)C1CC1 ZINC000079393193 463210129 /nfs/dbraw/zinc/21/01/29/463210129.db2.gz OSEIUOCHOPDUOZ-YOEHRIQHSA-N 0 3 345.443 2.126 40 0 EEABHN O=C(C[C@@H]1OC[C@H]2CN(Cc3ccccc3F)CC[C@H]21)N1CCCO1 ZINC000096208303 463211710 /nfs/dbraw/zinc/21/17/10/463211710.db2.gz MKRURGYIHOMYEG-NUJGCVRESA-N 0 3 348.418 2.217 40 0 EEABHN CCOC[C@@H]1C(=O)N(CC)CC12CCN(Cc1cccc(C)n1)CC2 ZINC000096208611 463212586 /nfs/dbraw/zinc/21/25/86/463212586.db2.gz PZHMKBOAFCJGKZ-GOSISDBHSA-N 0 3 345.487 2.487 40 0 EEABHN O=C1[C@H]2CN(Cc3ccncc3)C[C@H]2CN1Cc1cccc(F)c1 ZINC000096245316 463225292 /nfs/dbraw/zinc/22/52/92/463225292.db2.gz BRBHRNWQDDVBMD-WMZOPIPTSA-N 0 3 325.387 2.311 40 0 EEABHN CC(C)N1CC[C@H](Nc2ccccc2CN2CCC(CO)CC2)C1=O ZINC000096459071 463277117 /nfs/dbraw/zinc/27/71/17/463277117.db2.gz WBYVTNBIRMMCNI-IBGZPJMESA-N 0 3 345.487 2.312 40 0 EEABHN COc1nnc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[n-]1 ZINC000097103236 463325081 /nfs/dbraw/zinc/32/50/81/463325081.db2.gz BIFGQNDNDBWEMS-UHFFFAOYSA-N 0 3 329.404 2.054 40 0 EEABHN CNCC(=O)N1CCC[C@@H]1c1nc(C)cc(Nc2nc(C)cs2)n1 ZINC000072363279 463509508 /nfs/dbraw/zinc/50/95/08/463509508.db2.gz AERUSDZNOLAQPC-GFCCVEGCSA-N 0 3 346.460 2.176 40 0 EEABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000073743348 463651464 /nfs/dbraw/zinc/65/14/64/463651464.db2.gz ILUVPGMPSTZEIZ-HNNXBMFYSA-N 0 3 333.432 2.013 40 0 EEABHN Cc1noc(C)c1-c1cccc(C[C@H]2CCN(CC(=O)N(C)C)C2)n1 ZINC000257228815 463758073 /nfs/dbraw/zinc/75/80/73/463758073.db2.gz FVJDRWPOUREGAB-OAHLLOKOSA-N 0 3 342.443 2.306 40 0 EEABHN CC(C)C(=O)N[C@H]1CCN(Cc2ccc3[nH]ccc3c2)CC[C@@H]1O ZINC000257302236 463769189 /nfs/dbraw/zinc/76/91/89/463769189.db2.gz SCAZNHHFNPFWKW-ROUUACIJSA-N 0 3 329.444 2.265 40 0 EEABHN CNc1cc(C)nc([C@@H]2CN(C(=O)CCc3cccnc3)CCO2)c1 ZINC000257330475 463781509 /nfs/dbraw/zinc/78/15/09/463781509.db2.gz XOPCPZKBUVGKGU-SFHVURJKSA-N 0 3 340.427 2.359 40 0 EEABHN CS(=O)(=O)c1ccc(CN2CCNC[C@H]2c2ccccc2)cc1 ZINC000261625206 463805772 /nfs/dbraw/zinc/80/57/72/463805772.db2.gz BGZFRVOMUPBYAC-SFHVURJKSA-N 0 3 330.453 2.237 40 0 EEABHN COC(=O)[C@@H]1C[C@@H]1C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000195530367 464072064 /nfs/dbraw/zinc/07/20/64/464072064.db2.gz MUIFLAYNANSDPA-RRQGHBQHSA-N 0 3 330.428 2.137 40 0 EEABHN NC(=O)[C@@H]1CCCN1C1CCN(c2ccnc3c(F)cccc23)CC1 ZINC000195578644 464079874 /nfs/dbraw/zinc/07/98/74/464079874.db2.gz XUVVEPWTFVAFTR-KRWDZBQOSA-N 0 3 342.418 2.292 40 0 EEABHN Cc1csc(C(=O)N2CCO[C@@H](CN(C)C)C2)c1Br ZINC000190938887 464749206 /nfs/dbraw/zinc/74/92/06/464749206.db2.gz QYMLOXKJSUOJSF-JTQLQIEISA-N 0 3 347.278 2.222 40 0 EEABHN C[C@H](N)C(=O)N[C@H]1CC[C@H](N(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000252518077 464979289 /nfs/dbraw/zinc/97/92/89/464979289.db2.gz ZICQHSJDOPSOCR-AVGNSLFASA-N 0 3 325.453 2.161 40 0 EEABHN CCCn1cc(C(=O)NCC2CCN(c3ccncc3)CC2)cn1 ZINC000181664365 528833233 /nfs/dbraw/zinc/83/32/33/528833233.db2.gz LEOXTPUEMLWGBB-UHFFFAOYSA-N 0 3 327.432 2.335 40 0 EEABHN Cc1nn(CCC(=O)NCCN2CCC(C)CC2)c(C)c1Cl ZINC000019578242 202013747 /nfs/dbraw/zinc/01/37/47/202013747.db2.gz NQRDWHDBBCBVLD-UHFFFAOYSA-N 0 3 326.872 2.392 40 0 EEABHN CN(C)[C@H](CNC(=O)c1ccc2c(c1)COCO2)Cc1ccccc1 ZINC000072827082 202368717 /nfs/dbraw/zinc/36/87/17/202368717.db2.gz QGTQHSBNASXXNM-SFHVURJKSA-N 0 3 340.423 2.456 40 0 EEABHN Cc1cc(NC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)ccn1 ZINC000179833326 207695910 /nfs/dbraw/zinc/69/59/10/207695910.db2.gz BIKCLSLUIWEWCY-UHFFFAOYSA-N 0 3 338.411 2.309 40 0 EEABHN CCN(C[C@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1)C(=O)OC(C)(C)C ZINC000079410198 285083285 /nfs/dbraw/zinc/08/32/85/285083285.db2.gz ACKXXGDIJODERQ-CABCVRRESA-N 0 3 341.496 2.465 40 0 EEABHN CC(C)[C@H](CO)N(Cc1ccccc1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000252497058 280261291 /nfs/dbraw/zinc/26/12/91/280261291.db2.gz PYATZTSVNIOCGX-ROUUACIJSA-N 0 3 339.501 2.330 40 0 EEABHN CCN(C(=O)NCc1ccnn1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000159225866 323333753 /nfs/dbraw/zinc/33/37/53/323333753.db2.gz LOKJKWDTPMMSFJ-SFHVURJKSA-N 0 3 341.459 2.226 40 0 EEABHN CN(C)C(=O)COc1ccccc1CN(C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000252487255 464965265 /nfs/dbraw/zinc/96/52/65/464965265.db2.gz UZLXASZJAACPQJ-KFKAGJAMSA-N 0 3 346.471 2.399 40 0 EEABHN C[C@@H](N[C@@H]1CCc2n[nH]cc2C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000090455239 462791699 /nfs/dbraw/zinc/79/16/99/462791699.db2.gz OZDZQBVSDWDIMF-ZWNOBZJWSA-N 0 3 337.420 2.160 40 0 EEABHN COc1ccc(CN2CCC(CNC(=O)c3cnccn3)CC2)cc1 ZINC000012115068 462843031 /nfs/dbraw/zinc/84/30/31/462843031.db2.gz VXHJEFVXYPMYDX-UHFFFAOYSA-N 0 3 340.427 2.127 40 0 EEABHN COc1ccc(CN2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000096041149 463145514 /nfs/dbraw/zinc/14/55/14/463145514.db2.gz MNRGEOTUHKEBAS-GBESFXJTSA-N 0 3 344.455 2.155 40 0 EEABHN O=C(C1CCOCC1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096053915 463155766 /nfs/dbraw/zinc/15/57/66/463155766.db2.gz GMMVIUXYCQAOSY-CALCHBBNSA-N 0 3 332.419 2.143 40 0 EEABHN COCCN1Cc2ccccc2C2(CCN(c3ncccn3)CC2)C1 ZINC000096079529 463168419 /nfs/dbraw/zinc/16/84/19/463168419.db2.gz FQBSZTFDFYZBGV-UHFFFAOYSA-N 0 3 338.455 2.477 40 0 EEABHN CC[C@@H](NC(=O)C(C)S(C)(=O)=O)c1ccc(Br)cc1 ZINC000079038596 463181887 /nfs/dbraw/zinc/18/18/87/463181887.db2.gz IQPFOKVYXLBAFD-JOYOIKCWSA-N 0 3 348.262 2.450 40 0 EEABHN Cc1ccc(N2CCC3(CCN(Cc4cnn(C)c4)CC3)CC2)nn1 ZINC000096158479 463188691 /nfs/dbraw/zinc/18/86/91/463188691.db2.gz SXSFRROMQGJZBS-UHFFFAOYSA-N 0 3 340.475 2.401 40 0 EEABHN Cc1nc(CN2CC[C@@]3(CCN(Cc4ccncc4)C3)C2=O)cs1 ZINC000096159441 463191315 /nfs/dbraw/zinc/19/13/15/463191315.db2.gz ZQVWHQBXKAYEIR-GOSISDBHSA-N 0 3 342.468 2.471 40 0 EEABHN CN(C)CCOC[C@@H]1Cn2nccc2CN(Cc2ccc(F)cc2)C1 ZINC000096188966 463200596 /nfs/dbraw/zinc/20/05/96/463200596.db2.gz XYIUJXUNYPMEAG-KRWDZBQOSA-N 0 3 346.450 2.232 40 0 EEABHN CO[C@H]1CCN(CC2CCOCC2)[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096205901 463208975 /nfs/dbraw/zinc/20/89/75/463208975.db2.gz CWJVSQSEQZIGOV-OTWHNJEPSA-N 0 3 334.460 2.227 40 0 EEABHN CC(C)N(C(=O)OCc1ccccc1)[C@@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079412973 463212251 /nfs/dbraw/zinc/21/22/51/463212251.db2.gz XXIRAFXTDSJJJK-DOTOQJQBSA-N 0 3 347.459 2.372 40 0 EEABHN Cc1cccc(CN2CCC3(C[C@@H](Nc4ncccn4)CO3)CC2)n1 ZINC000096221564 463217742 /nfs/dbraw/zinc/21/77/42/463217742.db2.gz FGTFCJSUTFXQJH-QGZVFWFLSA-N 0 3 339.443 2.416 40 0 EEABHN FC(F)(F)Oc1cccc(CNC[C@H]2Cn3ccnc3CO2)c1 ZINC000096296269 463233678 /nfs/dbraw/zinc/23/36/78/463233678.db2.gz XURPIBYKRRIRGN-ZDUSSCGKSA-N 0 3 327.306 2.470 40 0 biogenic,in-vitro EEABHN CC(C)N(C)c1cccc(NC(=O)C(=O)NC[C@H](C)N(C)C2CC2)c1 ZINC000096410761 463244203 /nfs/dbraw/zinc/24/42/03/463244203.db2.gz XQJZQJSEATWDTF-AWEZNQCLSA-N 0 3 346.475 2.069 40 0 EEABHN C[C@@H]1C[C@H](N(C)CCCS(C)(=O)=O)CCN1Cc1ccccc1 ZINC000096414928 463247452 /nfs/dbraw/zinc/24/74/52/463247452.db2.gz PXQHWSCTTIMRRD-SJLPKXTDSA-N 0 3 338.517 2.406 40 0 EEABHN CN1CCC[C@@H](CNS(=O)(=O)Cc2ccon2)[C@@H]1c1ccccc1 ZINC000096428012 463258188 /nfs/dbraw/zinc/25/81/88/463258188.db2.gz FHHCXUCJOCUOQQ-RDJZCZTQSA-N 0 3 349.456 2.177 40 0 EEABHN COc1cc(CNC(=O)[C@@]2(F)CCNC2)ccc1OC1CCCC1 ZINC000097229033 463351293 /nfs/dbraw/zinc/35/12/93/463351293.db2.gz XFHSMCGDDBKXKU-GOSISDBHSA-N 0 3 336.407 2.334 40 0 EEABHN CN(C)C[C@H](NC(=O)CCNC(=O)c1cccs1)c1ccccc1 ZINC000040467667 463455267 /nfs/dbraw/zinc/45/52/67/463455267.db2.gz GFKLLBVETYITHP-HNNXBMFYSA-N 0 3 345.468 2.287 40 0 EEABHN COC1CCN(CCNCc2cnc(C)n2-c2ccccc2)CC1 ZINC000084051418 463574546 /nfs/dbraw/zinc/57/45/46/463574546.db2.gz RSWAXBWUIWXQJP-UHFFFAOYSA-N 0 3 328.460 2.381 40 0 EEABHN C[S@](=O)c1ccc(CN[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000085306195 463644582 /nfs/dbraw/zinc/64/45/82/463644582.db2.gz ZIOSVMWCKYXEAT-IQMFZBJNSA-N 0 3 328.437 2.319 40 0 EEABHN CN(C)Cc1cnc([C@H]2CC[N@H+](Cc3cccc(C(=O)[O-])c3)C2)[nH]1 ZINC000257319886 463776356 /nfs/dbraw/zinc/77/63/56/463776356.db2.gz VULHEQROPOYIIP-HNNXBMFYSA-N 0 3 328.416 2.159 40 0 EEABHN CN(C)Cc1cnc([C@H]2CC[N@@H+](Cc3cccc(C(=O)[O-])c3)C2)[nH]1 ZINC000257319886 463776361 /nfs/dbraw/zinc/77/63/61/463776361.db2.gz VULHEQROPOYIIP-HNNXBMFYSA-N 0 3 328.416 2.159 40 0 EEABHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NCC1CCOCC1 ZINC000194121689 463795268 /nfs/dbraw/zinc/79/52/68/463795268.db2.gz LDDGDRQTRPXIAK-SFHVURJKSA-N 0 3 331.460 2.234 40 0 EEABHN CCN1CCN(c2ccc(N)cc2NC(=O)c2ccncc2)CC1 ZINC000226259507 464183188 /nfs/dbraw/zinc/18/31/88/464183188.db2.gz DLYLNQZPOJHTGY-UHFFFAOYSA-N 0 3 325.416 2.058 40 0 EEABHN CN(C(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1)c1ccc(F)cc1 ZINC000190820068 464726707 /nfs/dbraw/zinc/72/67/07/464726707.db2.gz CBMNJOWVNODNDL-GOSISDBHSA-N 0 3 348.466 2.484 40 0 EEABHN COC[C@]1(CN)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252516220 464977967 /nfs/dbraw/zinc/97/79/67/464977967.db2.gz QOLBHTYYYIAOBA-RCCFBDPRSA-N 0 3 349.427 2.357 40 0 EEABHN Cc1ccc(Cl)c(OC[C@H](O)CN2C[C@H](CO)CC[C@H]2C)c1 ZINC000253370870 464994854 /nfs/dbraw/zinc/99/48/54/464994854.db2.gz XKPJHZCKHLBXLQ-RBSFLKMASA-N 0 3 327.852 2.481 40 0 EEABHN COc1cccc(CN2CCC3(CC2)CN(C)Cc2nnc(C)n23)c1 ZINC000306126923 466489784 /nfs/dbraw/zinc/48/97/84/466489784.db2.gz FJFSKKZQROSUCZ-UHFFFAOYSA-N 0 3 341.459 2.032 40 0 EEABHN Cc1cccc2cc(CN[C@@H](CO)[C@@H](O)c3ccccc3)c(=O)[nH]c12 ZINC000585293227 469010780 /nfs/dbraw/zinc/01/07/80/469010780.db2.gz SJWIZFHARTWOIF-HKUYNNGSSA-N 0 3 338.407 2.433 40 0 EEABHN COc1cc(C)ccc1CN1C[C@H](c2ccc(F)cc2)[C@@H](O)[C@H]1CO ZINC000585293543 469010828 /nfs/dbraw/zinc/01/08/28/469010828.db2.gz ZDKAKRALDCXHNX-QWFCFKBJSA-N 0 3 345.414 2.464 40 0 EEABHN NC1(C(=O)NCc2ccnc(OCC(F)(F)F)c2)CC2(CCC2)C1 ZINC000659287818 471568479 /nfs/dbraw/zinc/56/84/79/471568479.db2.gz UPMVJHNNXFNHRA-UHFFFAOYSA-N 0 3 343.349 2.301 40 0 EEABHN Cc1noc([C@@]2(O)CCN(C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C2)n1 ZINC001548452881 1124294644 /nfs/dbraw/zinc/29/46/44/1124294644.db2.gz RUQHGFJNHXTDRC-IIAWOOMASA-N 0 3 335.354 2.320 40 0 EEABHN Cc1ccc2occ(CN3C[C@@H]4CCCN4C[C@@H]3CCO)c(=O)c2c1 ZINC000019219802 202001374 /nfs/dbraw/zinc/00/13/74/202001374.db2.gz PXJPPLZNBYKVRC-IRXDYDNUSA-N 0 3 342.439 2.132 40 0 EEABHN O=c1cc([C@H]2CC[N@@H+](Cc3cccc(F)c3)C2)nc(N2CCCC2)[n-]1 ZINC000019293784 202002589 /nfs/dbraw/zinc/00/25/89/202002589.db2.gz PHFQPULRHZUSTA-HNNXBMFYSA-N 0 3 342.418 2.499 40 0 EEABHN O=c1cc([C@H]2CC[N@H+](Cc3cccc(F)c3)C2)nc(N2CCCC2)[n-]1 ZINC000019293784 202002592 /nfs/dbraw/zinc/00/25/92/202002592.db2.gz PHFQPULRHZUSTA-HNNXBMFYSA-N 0 3 342.418 2.499 40 0 EEABHN CN1C[C@@H](C(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)CC1=O ZINC000019587383 202013004 /nfs/dbraw/zinc/01/30/04/202013004.db2.gz LZFADVSRVPEBMD-ROUUACIJSA-N 0 3 343.471 2.198 40 0 EEABHN CCN1CCN(CCC(=O)N2CCc3cc(F)ccc3[C@@H]2C)CC1 ZINC000073881124 202367328 /nfs/dbraw/zinc/36/73/28/202367328.db2.gz HRWFOHXVEZVGJL-HNNXBMFYSA-N 0 3 333.451 2.299 40 0 EEABHN Cc1cc(CNC[C@](C)(O)c2cnn(C)c2)ccc1Br ZINC000072738777 202367622 /nfs/dbraw/zinc/36/76/22/202367622.db2.gz XOPJPKFXCRRFTB-HNNXBMFYSA-N 0 3 338.249 2.488 40 0 EEABHN c1ncn(-c2ccc(CNCc3c[nH]nc3-c3cccnc3)cc2)n1 ZINC000078552848 202396009 /nfs/dbraw/zinc/39/60/09/202396009.db2.gz GISWPPWKENSVNQ-UHFFFAOYSA-N 0 3 331.383 2.342 40 0 EEABHN CN(C)Cc1ccccc1CNC(=O)C1CCN(C(=O)C2CC2)CC1 ZINC000071847829 203128174 /nfs/dbraw/zinc/12/81/74/203128174.db2.gz HOMZYFGNWXNWCK-UHFFFAOYSA-N 0 3 343.471 2.013 40 0 EEABHN CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCN(Cc2ccccc2)C1 ZINC000257209066 244141949 /nfs/dbraw/zinc/14/19/49/244141949.db2.gz BOVGCAGZGNSVSM-INIZCTEOSA-N 0 3 349.438 2.421 40 0 EEABHN CN1CCC(C(=O)N2C[C@@H]3[C@H](Oc4cccnc4)CC[C@@H]3C2)CC1 ZINC000257246196 244257501 /nfs/dbraw/zinc/25/75/01/244257501.db2.gz ITADLEJCHGLQBC-BPQIPLTHSA-N 0 3 329.444 2.039 40 0 EEABHN CNCC(=O)N1CCC[C@H]1c1cc(Nc2ncccc2C)nc(C)n1 ZINC000072360920 203205847 /nfs/dbraw/zinc/20/58/47/203205847.db2.gz GGBUMNUXDOZASN-HNNXBMFYSA-N 0 3 340.431 2.115 40 0 EEABHN Cc1noc(C)c1C(=O)N1CC[C@@H]2[C@H](CC1)OCCN2CC1CC1 ZINC000096249338 203882609 /nfs/dbraw/zinc/88/26/09/203882609.db2.gz SQNBGLVBRHOGHU-CVEARBPZSA-N 0 3 333.432 2.007 40 0 EEABHN COc1ccccc1CN1CC[C@H](c2nnc(-c3cncn3C)o2)C1 ZINC000049170472 204369386 /nfs/dbraw/zinc/36/93/86/204369386.db2.gz MEEUXDOPEZIUJS-AWEZNQCLSA-N 0 3 339.399 2.468 40 0 biogenic,in-vitro EEABHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc[nH]n1 ZINC000095453510 218397684 /nfs/dbraw/zinc/39/76/84/218397684.db2.gz GAQHTNROOHRSKC-OAHLLOKOSA-N 0 3 328.416 2.242 40 0 EEABHN COc1ccccc1NC(=O)CCNC[C@@H]1COc2ccccc2O1 ZINC000028285548 274161241 /nfs/dbraw/zinc/16/12/41/274161241.db2.gz SAPGTFYHGWBENV-CQSZACIVSA-N 0 3 342.395 2.453 40 0 EEABHN C[C@@H]1C[C@@H](N2C(=O)[C@H]3CCCN3C2=O)CCN1Cc1ccccc1 ZINC000253433397 274386452 /nfs/dbraw/zinc/38/64/52/274386452.db2.gz WKLKSXSJUWMMBS-HYVNUMGLSA-N 0 3 327.428 2.466 40 0 EEABHN Cc1ccc(F)cc1CN1CCC2(CC(NS(C)(=O)=O)C2)CC1 ZINC000108526176 280853319 /nfs/dbraw/zinc/85/33/19/280853319.db2.gz JJZYFQOFXZCMBL-UHFFFAOYSA-N 0 3 340.464 2.428 40 0 EEABHN CN(C)C(=O)[C@@H]1CC[C@@H](CN[C@H]2CCCOc3cc(F)ccc32)O1 ZINC000248458399 289005589 /nfs/dbraw/zinc/00/55/89/289005589.db2.gz UQANNWWQGPBWRL-BPUTZDHNSA-N 0 3 336.407 2.265 40 0 EEABHN O=S1(=O)CCC[C@@H](NCCc2ccc(OC(F)(F)F)cc2)C1 ZINC000097230718 323321482 /nfs/dbraw/zinc/32/14/82/323321482.db2.gz LXDXRNINKYANOV-GFCCVEGCSA-N 0 3 337.363 2.295 40 0 EEABHN O=C([C@@H]1C[C@H]2OCC[C@H]2N(CCc2ccccc2)C1)N1CCCCO1 ZINC000096038941 463144062 /nfs/dbraw/zinc/14/40/62/463144062.db2.gz WVTXFYGWTKWPMP-GUDVDZBRSA-N 0 3 344.455 2.263 40 0 EEABHN Cc1cccc(CN2CC[C@H]3OCC[C@@H](C(=O)NCC4CC4)[C@@H]3C2)n1 ZINC000096043301 463147488 /nfs/dbraw/zinc/14/74/88/463147488.db2.gz SLYGMIINLRJSCV-CEXWTWQISA-N 0 3 343.471 2.143 40 0 EEABHN COc1ccc(CN2C[C@@H]3CN(C(=O)c4cscn4)C[C@H]3C2)cc1 ZINC000096053939 463156381 /nfs/dbraw/zinc/15/63/81/463156381.db2.gz DBOWIUPJJSLMGW-HUUCEWRRSA-N 0 3 343.452 2.356 40 0 EEABHN COCCN1CCOC[C@@]2(CCCN(C(=O)CC3CCCC3)C2)C1 ZINC000096076296 463169621 /nfs/dbraw/zinc/16/96/21/463169621.db2.gz ZDQFWRGZVDTYIB-IBGZPJMESA-N 0 3 338.492 2.154 40 0 EEABHN Cn1cccc1C(=O)N1CCN2C[C@H](OCc3ccccc3)C[C@H]2C1 ZINC000096183428 463195268 /nfs/dbraw/zinc/19/52/68/463195268.db2.gz FGMDJKWGHMFNRF-ZWKOTPCHSA-N 0 3 339.439 2.141 40 0 EEABHN COc1ccc(CN2CC[C@H]3[C@H](CNC(=O)C4CC4)OC[C@H]3C2)cc1 ZINC000096185300 463196454 /nfs/dbraw/zinc/19/64/54/463196454.db2.gz LYAVYMMJRMOCFJ-QRQLOZEOSA-N 0 3 344.455 2.058 40 0 EEABHN CCN(C(=O)CN)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079392936 463210979 /nfs/dbraw/zinc/21/09/79/463210979.db2.gz GHVULIAFSRLWOR-CVEARBPZSA-N 0 3 333.432 2.031 40 0 EEABHN c1ncn2c1CN(CC1CCOCC1)C[C@H](COc1cccnc1)C2 ZINC000096209186 463212290 /nfs/dbraw/zinc/21/22/90/463212290.db2.gz GNIODPXFKWQIRB-KRWDZBQOSA-N 0 3 342.443 2.216 40 0 EEABHN CCN(C[C@@H]1CCN(C(=O)[C@@H](N)C(C)C)C1)C(=O)OC(C)(C)C ZINC000079410158 463212363 /nfs/dbraw/zinc/21/23/63/463212363.db2.gz RKOVENNLVDZUCQ-KBPBESRZSA-N 0 3 327.469 2.075 40 0 EEABHN O=C(C[C@]12COC[C@H]1CN(Cc1cccs1)C2)N1CCCCO1 ZINC000096209514 463214107 /nfs/dbraw/zinc/21/41/07/463214107.db2.gz LOZFCIJUADLPQM-PBHICJAKSA-N 0 3 336.457 2.141 40 0 EEABHN Cc1cc(CN2CCC3(CC2)C(=O)NCCN3CC(C)C)oc1C ZINC000096230187 463223088 /nfs/dbraw/zinc/22/30/88/463223088.db2.gz FIPOBJDFVJKLKQ-UHFFFAOYSA-N 0 3 333.476 2.319 40 0 EEABHN O=C1[C@H](N2CCC[C@H](C3OCCO3)C2)CCCN1c1ccccc1 ZINC000096406587 463240262 /nfs/dbraw/zinc/24/02/62/463240262.db2.gz KRETVSIODLSGEB-DOTOQJQBSA-N 0 3 330.428 2.267 40 0 EEABHN CS(=O)(=O)[C@@H]1CCCC[C@H]1NCCc1ccc(-n2cccn2)cc1 ZINC000096491559 463286508 /nfs/dbraw/zinc/28/65/08/463286508.db2.gz NYRRCDZRDYDRLU-QZTJIDSGSA-N 0 3 347.484 2.360 40 0 EEABHN O=C1CNC(=O)N1CCNC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000096492074 463288028 /nfs/dbraw/zinc/28/80/28/463288028.db2.gz UEPCEQIFMHUTPT-UHFFFAOYSA-N 0 3 341.333 2.226 40 0 EEABHN COc1cc(Br)ccc1CN[C@@H](C)Cn1cncn1 ZINC000096500750 463292069 /nfs/dbraw/zinc/29/20/69/463292069.db2.gz IQWPPUVHZOWZHK-JTQLQIEISA-N 0 3 325.210 2.228 40 0 EEABHN C[C@H]1C[C@@H](NS(=O)(=O)Cc2ccon2)CCN1Cc1ccccc1 ZINC000080294482 463305975 /nfs/dbraw/zinc/30/59/75/463305975.db2.gz BFAMPKBVQYNBEJ-HOCLYGCPSA-N 0 3 349.456 2.147 40 0 EEABHN CN(C)c1cc(C[C@@H]2COCCN(Cc3cccs3)C2)ncn1 ZINC000257309104 463772270 /nfs/dbraw/zinc/77/22/70/463772270.db2.gz TZNZXIYHUNXESO-AWEZNQCLSA-N 0 3 332.473 2.295 40 0 EEABHN CN(C[C@@H]1COc2ccccc2O1)C(=O)C[C@H](N)c1ccccc1 ZINC000194279497 463825652 /nfs/dbraw/zinc/82/56/52/463825652.db2.gz RSMTULJTQYOKQU-CVEARBPZSA-N 0 3 326.396 2.375 40 0 EEABHN COc1cc(CN2CCC[C@@H](c3nc(N(C)C)no3)C2)ccc1O ZINC000195004316 463974574 /nfs/dbraw/zinc/97/45/74/463974574.db2.gz RFOBEJLVVGUCNO-CYBMUJFWSA-N 0 3 332.404 2.229 40 0 EEABHN N[C@@H](Cc1ccccc1)C(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000195542496 464072880 /nfs/dbraw/zinc/07/28/80/464072880.db2.gz ZANPSWSFAQTTPZ-OALUTQOASA-N 0 3 346.471 2.133 40 0 EEABHN COC[C@]1(CN)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218559353 464108860 /nfs/dbraw/zinc/10/88/60/464108860.db2.gz QOLBHTYYYIAOBA-OKZBNKHCSA-N 0 3 349.427 2.357 40 0 EEABHN CCN1CCN(c2ccc(N)cc2NC(=O)c2cccnc2)CC1 ZINC000226259450 464183765 /nfs/dbraw/zinc/18/37/65/464183765.db2.gz YVYYFGOGZPOYAZ-UHFFFAOYSA-N 0 3 325.416 2.058 40 0 EEABHN CCN1CCCC[C@H]1CNC(=O)c1ccccc1S[C@H](C)C(N)=O ZINC000240555635 464448451 /nfs/dbraw/zinc/44/84/51/464448451.db2.gz GWUFHWLILHWLEH-KGLIPLIRSA-N 0 3 349.500 2.257 40 0 EEABHN Cc1nc(N2CCOCC2)ccc1NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000245304960 464469430 /nfs/dbraw/zinc/46/94/30/464469430.db2.gz HHTKKTCHXFIKJL-FMKPAKJESA-N 0 3 346.475 2.426 40 0 EEABHN CC(C)[C@@H](CO)N(Cc1ccccc1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000252497059 464969704 /nfs/dbraw/zinc/96/97/04/464969704.db2.gz PYATZTSVNIOCGX-ZWKOTPCHSA-N 0 3 339.501 2.330 40 0 EEABHN Cc1nc2ccc(N[C@@H]3CCN(Cc4ccccc4)[C@@H](C)C3)nn2n1 ZINC000329398465 465321168 /nfs/dbraw/zinc/32/11/68/465321168.db2.gz VGSAHPSZIJIVLY-WMLDXEAASA-N 0 3 336.443 2.898 40 0 EEABHN COC[C@@]1(CC(=O)N(C)C)CCCN1Cc1cccc(OC)c1F ZINC000585276499 469001234 /nfs/dbraw/zinc/00/12/34/469001234.db2.gz ASRGWIRYQUUBGL-SFHVURJKSA-N 0 3 338.423 2.294 40 0 EEABHN COC[C@@]1(CC(=O)N(C)C)CCCN1Cc1cc(OC)ccc1F ZINC000585279838 469006617 /nfs/dbraw/zinc/00/66/17/469006617.db2.gz ZPJHLPDOPQOMIA-SFHVURJKSA-N 0 3 338.423 2.294 40 0 EEABHN CCCC(=O)N1CC[C@H](c2nn(CCN(C)C)c3ncccc23)C1 ZINC000019501087 202009113 /nfs/dbraw/zinc/00/91/13/202009113.db2.gz VKJYMFOYHVUHGW-AWEZNQCLSA-N 0 3 329.448 2.109 40 0 EEABHN CN1CCC(c2ncc3c(n2)CCN(C(=O)c2ccccc2)C3)CC1 ZINC000019588335 202014073 /nfs/dbraw/zinc/01/40/73/202014073.db2.gz GGQIDRLWIANPQQ-UHFFFAOYSA-N 0 3 336.439 2.484 40 0 EEABHN O=C(NCc1ccccc1CN1CCC(O)CC1)Nc1cccnc1 ZINC000075535632 202380497 /nfs/dbraw/zinc/38/04/97/202380497.db2.gz PIJWIUIBMIGPEG-UHFFFAOYSA-N 0 3 340.427 2.360 40 0 EEABHN COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNCc3ccccc3)O2)no1 ZINC000077262728 201181664 /nfs/dbraw/zinc/18/16/64/201181664.db2.gz ACPSTYMZBPSTIU-YTQUADARSA-N 0 3 346.427 2.062 40 0 biogenic,in-vitro EEABHN CN(Cc1csc(Br)c1)C(=O)[C@H](N)C1CCOCC1 ZINC000262066367 201201330 /nfs/dbraw/zinc/20/13/30/201201330.db2.gz SCPMTLAOKAQTOJ-GFCCVEGCSA-N 0 3 347.278 2.223 40 0 EEABHN Cc1ccc2cc(C(=O)NCCN3CCN(C)C(C)(C)C3)ccc2n1 ZINC000330032260 201362774 /nfs/dbraw/zinc/36/27/74/201362774.db2.gz KFJUZODVSWKDCN-UHFFFAOYSA-N 0 3 340.471 2.299 40 0 EEABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)[C@@]2(CN)CO)cc1 ZINC000218501686 241327120 /nfs/dbraw/zinc/32/71/20/241327120.db2.gz OUXRPUDVMCRVIM-RCCFBDPRSA-N 0 3 349.427 2.011 40 0 EEABHN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)CN1CCCCCC1)C2 ZINC000257215585 244166019 /nfs/dbraw/zinc/16/60/19/244166019.db2.gz CQTHAARDEVOFCB-HLNWXESRSA-N 0 3 347.503 2.253 40 0 EEABHN Cc1ncsc1CN1CCC[C@@H](Cc2cc(C(N)=O)nc(C)n2)C1 ZINC000257223474 244190641 /nfs/dbraw/zinc/19/06/41/244190641.db2.gz DXNAQHAZDAGQKV-ZDUSSCGKSA-N 0 3 345.472 2.104 40 0 EEABHN Cc1cccc(Nc2cccc([C@@H]3CCCN(C(=O)CN)C3)n2)n1 ZINC000072382962 203211353 /nfs/dbraw/zinc/21/13/53/203211353.db2.gz UIZPUAWYSNDVQW-CQSZACIVSA-N 0 3 325.416 2.193 40 0 EEABHN N[C@H](CC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccccc1 ZINC000225445043 205081061 /nfs/dbraw/zinc/08/10/61/205081061.db2.gz ZTWKRPAEWCPCTN-OAHLLOKOSA-N 0 3 343.452 2.123 40 0 EEABHN Cc1ccc([C@@H]2[C@@H](C)CCCN2C[C@@H](O)CN2C(=O)CCC2=O)cc1 ZINC000195530631 292237496 /nfs/dbraw/zinc/23/74/96/292237496.db2.gz DRYPEEUKLBVCJN-VPWXQRGCSA-N 0 3 344.455 2.278 40 0 EEABHN CNc1nccnc1C[C@H]1CCCN(C(=O)CN(C)C2CCCC2)C1 ZINC000257265792 277306032 /nfs/dbraw/zinc/30/60/32/277306032.db2.gz MAGUAVNYYHIHRD-OAHLLOKOSA-N 0 3 345.491 2.174 40 0 EEABHN CC(=O)N1CCC[C@@]2(C)[C@H]1CCCN2C(=O)CN1CCCCCC1 ZINC000257305134 278018175 /nfs/dbraw/zinc/01/81/75/278018175.db2.gz SONYGHBYCUGUTN-MJGOQNOKSA-N 0 3 335.492 2.254 40 0 EEABHN Cc1noc([C@H](C)NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)n1 ZINC000332755263 312052485 /nfs/dbraw/zinc/05/24/85/312052485.db2.gz MZZKLFAUGWTCGL-TUKIKUTGSA-N 0 3 329.404 2.184 40 0 EEABHN C[C@H](O)[C@@H]1CCN(C(=O)NC[C@H]2CCCN2CCc2ccccc2)C1 ZINC000252487341 464965142 /nfs/dbraw/zinc/96/51/42/464965142.db2.gz VRGRNVRRNQHCPH-QXAKKESOSA-N 0 3 345.487 2.106 40 0 EEABHN C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCCC[C@H]1CN(C)C ZINC000019078945 463014744 /nfs/dbraw/zinc/01/47/44/463014744.db2.gz QPMXUSOOXIMKNZ-KGLIPLIRSA-N 0 3 334.416 2.125 40 0 EEABHN CNC(=O)[C@]1(Cc2cc(C(C)C)no2)CCN(Cc2cccnc2)C1 ZINC000019695668 463021069 /nfs/dbraw/zinc/02/10/69/463021069.db2.gz SKQHCNRDGKEKSY-IBGZPJMESA-N 0 3 342.443 2.374 40 0 EEABHN CN(C)CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1ccccc1)C2 ZINC000096039558 463143826 /nfs/dbraw/zinc/14/38/26/463143826.db2.gz GWRPKHNJGVOTOK-ICSRJNTNSA-N 0 3 346.471 2.276 40 0 EEABHN COc1ccc(CN2CCOC[C@]3(CC[C@H](CN(C)C)O3)C2)cc1 ZINC000096052292 463157210 /nfs/dbraw/zinc/15/72/10/463157210.db2.gz XZPJVHXPMILBAX-MOPGFXCFSA-N 0 3 334.460 2.007 40 0 EEABHN O=C([C@@H]1CCO[C@@H]2CCN(Cc3ccoc3)C[C@H]21)N1CCCCO1 ZINC000096058290 463159483 /nfs/dbraw/zinc/15/94/83/463159483.db2.gz RBOGPZIHZHMPBE-IXDOHACOSA-N 0 3 334.416 2.061 40 0 EEABHN C[C@H]1CN(Cc2ccncc2)CC[C@]12CC[C@H](C(=O)NCC1CC1)O2 ZINC000096061298 463160812 /nfs/dbraw/zinc/16/08/12/463160812.db2.gz SUINCIKBJCAYMO-QKYXUNIQSA-N 0 3 343.471 2.367 40 0 EEABHN Cc1nc(CN2CCC23CCN(Cc2cnn(C)c2)CC3)cs1 ZINC000096077988 463169307 /nfs/dbraw/zinc/16/93/07/463169307.db2.gz VJQDZHATMNQIBQ-UHFFFAOYSA-N 0 3 331.489 2.426 40 0 EEABHN Cn1cc(CN2CCC[C@]3(CCN(Cc4ccncc4)C3)C2)cn1 ZINC000096100145 463172972 /nfs/dbraw/zinc/17/29/72/463172972.db2.gz DTXDZNSMJLIKFS-IBGZPJMESA-N 0 3 325.460 2.303 40 0 EEABHN O=C([C@H]1CCCO1)N1CCC2(CCN(Cc3ccccn3)CC2)CC1 ZINC000096158391 463189177 /nfs/dbraw/zinc/18/91/77/463189177.db2.gz IBNQYCRHJKYWCQ-GOSISDBHSA-N 0 3 343.471 2.465 40 0 EEABHN Cc1noc(C)c1CN1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC000096207903 463210716 /nfs/dbraw/zinc/21/07/16/463210716.db2.gz WSBULUIKUBCCMR-APWZRJJASA-N 0 3 343.427 2.352 40 0 EEABHN Cc1noc(C[C@H]2C[C@H]3CN(CCOCc4ccccc4)C[C@H]3O2)n1 ZINC000096220554 463217613 /nfs/dbraw/zinc/21/76/13/463217613.db2.gz WALLHAUGJLIFOH-RCCFBDPRSA-N 0 3 343.427 2.227 40 0 EEABHN O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CCN(CC3CC3)C2)C1 ZINC000096226090 463221001 /nfs/dbraw/zinc/22/10/01/463221001.db2.gz YUNOIJVMIGPAIF-GOSISDBHSA-N 0 3 331.391 2.073 40 0 EEABHN Cc1ccc(CN2CCc3ncnc(N4CCOCC4)c3CC2)s1 ZINC000096255708 463228703 /nfs/dbraw/zinc/22/87/03/463228703.db2.gz BDRUVCVIRRQLCE-UHFFFAOYSA-N 0 3 344.484 2.284 40 0 EEABHN CN1CCc2cc(C(=O)NCC3CC3)c(NCC3CC3)nc2CC1 ZINC000096260608 463230830 /nfs/dbraw/zinc/23/08/30/463230830.db2.gz YPCXYQOXBAXBKN-UHFFFAOYSA-N 0 3 328.460 2.074 40 0 EEABHN COCCN1CC[C@H](NC(=O)N[C@@H](c2ncccc2C)C(C)C)C1 ZINC000096413328 463245748 /nfs/dbraw/zinc/24/57/48/463245748.db2.gz GVCZCWBQYATKNM-JKSUJKDBSA-N 0 3 334.464 2.107 40 0 EEABHN CNC(=O)CN1CCC(CN(C)c2ccnc3ccsc32)CC1 ZINC000096429545 463259022 /nfs/dbraw/zinc/25/90/22/463259022.db2.gz WFYJSEUXDMONSQ-UHFFFAOYSA-N 0 3 332.473 2.191 40 0 EEABHN CCCO[C@H]1CCCN(C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000096435360 463263944 /nfs/dbraw/zinc/26/39/44/463263944.db2.gz RGKUQDBQLPHPPK-HNNXBMFYSA-N 0 3 337.468 2.258 40 0 EEABHN O=c1cc(CN2CCC[C@@H]2C[C@@H](O)c2ccccc2)[nH]c2ccnn21 ZINC000096443589 463268700 /nfs/dbraw/zinc/26/87/00/463268700.db2.gz VIGFHLLJYSMZJB-IAGOWNOFSA-N 0 3 338.411 2.111 40 0 EEABHN Brc1ccc(N2CCC(CN3CCOCC3)CC2)nc1 ZINC000096453513 463274526 /nfs/dbraw/zinc/27/45/26/463274526.db2.gz PZXCQWSALWWBLY-UHFFFAOYSA-N 0 3 340.265 2.393 40 0 EEABHN Cc1ccc(F)c(N2CCC[C@@H](N[C@@H](C)CS(C)(=O)=O)C2)c1 ZINC000096491660 463286802 /nfs/dbraw/zinc/28/68/02/463286802.db2.gz LTUYIKHOYFYUDO-UONOGXRCSA-N 0 3 328.453 2.126 40 0 EEABHN O=C(CNCCN1CCCCC1)Nc1ccc(N2CCCC2)cc1 ZINC000035311454 463431695 /nfs/dbraw/zinc/43/16/95/463431695.db2.gz DPPAYGQLJNEWLY-UHFFFAOYSA-N 0 3 330.476 2.301 40 0 EEABHN CC(=O)N1CC2(CCN(Cc3ncccc3C)CC2)C[C@@H](O)C1(C)C ZINC000257202330 463756196 /nfs/dbraw/zinc/75/61/96/463756196.db2.gz ALHUISXAKCBRQP-GOSISDBHSA-N 0 3 345.487 2.364 40 0 EEABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2cc(F)cc(F)c2)c1 ZINC000257309460 463772218 /nfs/dbraw/zinc/77/22/18/463772218.db2.gz UBAUECVBCQVNFW-GOSISDBHSA-N 0 3 345.393 2.471 40 0 EEABHN CN(C)Cc1cnc([C@@H]2CC[N@H+](Cc3cccc(C(=O)[O-])c3)C2)[nH]1 ZINC000257319887 463777059 /nfs/dbraw/zinc/77/70/59/463777059.db2.gz VULHEQROPOYIIP-OAHLLOKOSA-N 0 3 328.416 2.159 40 0 EEABHN CN(C)Cc1cnc([C@@H]2CC[N@@H+](Cc3cccc(C(=O)[O-])c3)C2)[nH]1 ZINC000257319887 463777062 /nfs/dbraw/zinc/77/70/62/463777062.db2.gz VULHEQROPOYIIP-OAHLLOKOSA-N 0 3 328.416 2.159 40 0 EEABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3ccncc3)CCO2)n1 ZINC000257335631 463782414 /nfs/dbraw/zinc/78/24/14/463782414.db2.gz YLCYMYJKIMAZRY-QGZVFWFLSA-N 0 3 326.400 2.065 40 0 EEABHN COCCNCC(=O)N[C@H]1CCCOc2c3ccccc3ccc21 ZINC000195543700 464074898 /nfs/dbraw/zinc/07/48/98/464074898.db2.gz JOKQUHYKVNXJTF-KRWDZBQOSA-N 0 3 328.412 2.406 40 0 EEABHN CCOC(=O)c1ccc(NC(=S)NCCN(C)C)cc1Cl ZINC000225404336 464157601 /nfs/dbraw/zinc/15/76/01/464157601.db2.gz YAKKUPGEHADQCO-UHFFFAOYSA-N 0 3 329.853 2.365 40 0 EEABHN NCC(=O)N(C1CC1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000242437521 464457737 /nfs/dbraw/zinc/45/77/37/464457737.db2.gz CEHITUOYEFHOLO-WKILWMFISA-N 0 3 345.443 2.174 40 0 EEABHN CCOC[C@@H]1CCN(CC2CC2)C2(CN(c3ncc(F)cn3)C2)C1 ZINC000306127235 466490079 /nfs/dbraw/zinc/49/00/79/466490079.db2.gz FSQSLKDDGGVPTG-OAHLLOKOSA-N 0 3 334.439 2.333 40 0 EEABHN CNC(=O)c1cccc([C@@H]2CNCCN2Cc2ccc(F)cc2)c1 ZINC000585182256 468996204 /nfs/dbraw/zinc/99/62/04/468996204.db2.gz BQEXBBKRTIGCBU-SFHVURJKSA-N 0 3 327.403 2.332 40 0 EEABHN COC[C@]1(CC(=O)N(C)C)CCCN1Cc1cc(OC)ccc1F ZINC000585279836 469006730 /nfs/dbraw/zinc/00/67/30/469006730.db2.gz ZPJHLPDOPQOMIA-GOSISDBHSA-N 0 3 338.423 2.294 40 0 EEABHN Cc1c(CN[C@H]2CC[C@H](Oc3ccc(Cl)cc3)[C@@H]2O)cnn1C ZINC000585282982 469007325 /nfs/dbraw/zinc/00/73/25/469007325.db2.gz AFVRQQVGOOTPRS-YESZJQIVSA-N 0 3 335.835 2.442 40 0 EEABHN CCOC(=O)c1cc(N)n(C2CCN(Cc3ccccc3)CC2)n1 ZINC000575629222 485574740 /nfs/dbraw/zinc/57/47/40/485574740.db2.gz MNEZWPDCAJBERF-UHFFFAOYSA-N 0 3 328.416 2.479 40 0 EEABHN CCn1cc(C(=O)N2CC[C@@H](c3cc(N(C)C)cc(C)n3)C2)cn1 ZINC000257257647 536029430 /nfs/dbraw/zinc/02/94/30/536029430.db2.gz KQNMNDTVYAXSRG-CQSZACIVSA-N 0 3 327.432 2.302 40 0 EEABHN C[C@H](N)C(=O)N(C)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000100178048 219094426 /nfs/dbraw/zinc/09/44/26/219094426.db2.gz QINBASVFAXXUQH-CWRNSKLLSA-N 0 3 333.432 2.030 40 0 EEABHN Cc1cccc(Nc2cc([C@H]3CCCN(CCO)C3)nc(C)n2)n1 ZINC000072360128 216165935 /nfs/dbraw/zinc/16/59/35/216165935.db2.gz SPLDBCOLHVVMRA-HNNXBMFYSA-N 0 3 327.432 2.404 40 0 EEABHN COc1ccc2cc(C)c3nn(CCN4CCCC4)c(=O)n3c2c1 ZINC000072346983 216161171 /nfs/dbraw/zinc/16/11/71/216161171.db2.gz VAFNZWHBTVDXRK-UHFFFAOYSA-N 0 3 326.400 2.062 40 0 EEABHN CN(C)c1nccnc1C1CCN(C(=O)[C@]2(C)CCCCN2C)CC1 ZINC000072367349 216173984 /nfs/dbraw/zinc/17/39/84/216173984.db2.gz ONDVNPOTKFFQLU-IBGZPJMESA-N 0 3 345.491 2.123 40 0 EEABHN Cc1nc(CCC(=O)N(C)C)cc([C@H]2CCCN2C2CCOCC2)n1 ZINC000072367046 216173280 /nfs/dbraw/zinc/17/32/80/216173280.db2.gz BVXVMWXZPRFWSW-GOSISDBHSA-N 0 3 346.475 2.122 40 0 EEABHN Cc1cc(C)nc(Nc2cccc([C@H]3CCCN(CCO)C3)n2)n1 ZINC000072383042 216183826 /nfs/dbraw/zinc/18/38/26/216183826.db2.gz RUESGRAHVNFNNQ-HNNXBMFYSA-N 0 3 327.432 2.404 40 0 EEABHN CN1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000072794579 216306320 /nfs/dbraw/zinc/30/63/20/216306320.db2.gz DBMAKWUMVPFLSO-VMPITWQZSA-N 0 3 327.472 2.186 40 0 EEABHN C[C@@H](NC(=O)CCN1CCN(c2ccccc2)CC1)c1ccncc1 ZINC000072812014 216310265 /nfs/dbraw/zinc/31/02/65/216310265.db2.gz QLXDVTHDAMKQHR-QGZVFWFLSA-N 0 3 338.455 2.471 40 0 EEABHN Cc1c(NC(=O)Nc2ccn(CCN(C)C)n2)cccc1N(C)C ZINC000191618044 239213381 /nfs/dbraw/zinc/21/33/81/239213381.db2.gz KIBDHKLHUPHAGB-UHFFFAOYSA-N 0 3 330.436 2.463 40 0 EEABHN Cc1cc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)c2ccccc2n1 ZINC000078394486 217046702 /nfs/dbraw/zinc/04/67/02/217046702.db2.gz ZXBZMLVPMFRFAO-OAHLLOKOSA-N 0 3 340.471 2.157 40 0 EEABHN Cc1ccc(C(=O)NCC2(N3CCCCC3)CCOCC2)c(C)n1 ZINC000078871443 217135229 /nfs/dbraw/zinc/13/52/29/217135229.db2.gz LIUCZMQUBQSLCJ-UHFFFAOYSA-N 0 3 331.460 2.463 40 0 EEABHN CC(C)N(C[C@@H]1CCCCN1C(=O)CN)C(=O)OCc1ccccc1 ZINC000079412499 217221532 /nfs/dbraw/zinc/22/15/32/217221532.db2.gz OFRDPSWPPDAHBJ-KRWDZBQOSA-N 0 3 347.459 2.373 40 0 EEABHN CC(C)[C@H](N)C(=O)N(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000079391455 217218891 /nfs/dbraw/zinc/21/88/91/217218891.db2.gz DYRNRSUXAFZOAT-CABCVRRESA-N 0 3 341.496 2.464 40 0 EEABHN Cc1ncc(CNC[C@@H]2CN3CCC[C@@H]3CO2)n1-c1ccccc1 ZINC000081292742 217378858 /nfs/dbraw/zinc/37/88/58/217378858.db2.gz NOZFIOIRPIYQJV-IEBWSBKVSA-N 0 3 326.444 2.134 40 0 EEABHN C[C@H]1CCCC[C@H]1NCC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000195567055 323514972 /nfs/dbraw/zinc/51/49/72/323514972.db2.gz YEGMZXKKVARGCQ-SMDDNHRTSA-N 0 3 342.436 2.336 40 0 EEABHN COCCN1CCC(NC(=O)c2cc3cccc(OC)c3o2)CC1 ZINC000085467881 462549199 /nfs/dbraw/zinc/54/91/99/462549199.db2.gz JYAULXFLQJZGEZ-UHFFFAOYSA-N 0 3 332.400 2.282 40 0 EEABHN CCOC(=O)C[C@@H](N)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000012648431 462862422 /nfs/dbraw/zinc/86/24/22/462862422.db2.gz LMHWUCOFJHJIFA-CVEARBPZSA-N 0 3 334.416 2.458 40 0 EEABHN COc1ccc(CN[C@@H]2[C@@H](c3ccc(OC)cc3)C[C@@H](O)[C@H]2O)cc1 ZINC000077261891 462960829 /nfs/dbraw/zinc/96/08/29/462960829.db2.gz NKHLXKKTMONSTK-UAFMIMERSA-N 0 3 343.423 2.071 40 0 biogenic,in-vitro EEABHN Cc1ccc(CN2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)s1 ZINC000096055013 463156373 /nfs/dbraw/zinc/15/63/73/463156373.db2.gz SEDDSAXIAKRRDD-HUUCEWRRSA-N 0 3 330.457 2.184 40 0 EEABHN Cc1cccc(CO[C@H]2C[C@H]3CN(Cc4ccncc4)CCN3C2)n1 ZINC000096055105 463156620 /nfs/dbraw/zinc/15/66/20/463156620.db2.gz VOWBXNOHCFWEGQ-PMACEKPBSA-N 0 3 338.455 2.260 40 0 EEABHN Cn1cc(CN2CCC3(CCOC[C@H]3COCC3CC3)CC2)cn1 ZINC000096106457 463173841 /nfs/dbraw/zinc/17/38/41/463173841.db2.gz LXCUCDYRIYYEFI-SFHVURJKSA-N 0 3 333.476 2.465 40 0 EEABHN c1coc(CN2CC[C@]3(C2)COCCN(Cc2ccccn2)C3)c1 ZINC000096202130 463206970 /nfs/dbraw/zinc/20/69/70/463206970.db2.gz NDUGKIBNNWPKES-LJQANCHMSA-N 0 3 327.428 2.399 40 0 EEABHN Cc1nc(-c2ccc(S(=O)(=O)N(C)C[C@H]3CCN(C)C3)cc2)co1 ZINC000096409583 463242447 /nfs/dbraw/zinc/24/24/47/463242447.db2.gz PIOZAEHQQQTOBQ-AWEZNQCLSA-N 0 3 349.456 2.222 40 0 EEABHN C[C@@H]1C[C@@H](NC(=O)NCc2nccn2C)CCN1Cc1ccccc1 ZINC000080114163 463284037 /nfs/dbraw/zinc/28/40/37/463284037.db2.gz MSWFHTKQORVWDB-WBVHZDCISA-N 0 3 341.459 2.272 40 0 EEABHN C[C@H](O)[C@H]1CCN(C(=O)NC[C@@H]2CCCN2CCc2ccccc2)C1 ZINC000096502535 463293078 /nfs/dbraw/zinc/29/30/78/463293078.db2.gz VRGRNVRRNQHCPH-WDSOQIARSA-N 0 3 345.487 2.106 40 0 EEABHN COc1cccc(N2CCC[C@@H](N[C@@H](C)Cn3cccn3)C2=O)c1 ZINC000138487400 463310256 /nfs/dbraw/zinc/31/02/56/463310256.db2.gz RJTCZFLHPRZPIC-WMLDXEAASA-N 0 3 328.416 2.065 40 0 EEABHN Cc1ccc(NC(=O)N(C)C)c(C(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000073476763 463615175 /nfs/dbraw/zinc/61/51/75/463615175.db2.gz OHOKFTOCOUXJDK-HNNXBMFYSA-N 0 3 344.459 2.303 40 0 EEABHN O=C(NCc1ccc(F)cc1)NCC1CCN([C@@H]2CCOC2)CC1 ZINC000575605981 468145714 /nfs/dbraw/zinc/14/57/14/468145714.db2.gz IPOUEVLUQMGDGW-QGZVFWFLSA-N 0 3 335.423 2.126 40 0 EEABHN CSC1(CNC(=O)NC2CCN(CCc3ccncc3)CC2)CC1 ZINC000225717020 242000438 /nfs/dbraw/zinc/00/04/38/242000438.db2.gz SVDRYJYSCMAWJJ-UHFFFAOYSA-N 0 3 348.516 2.283 40 0 EEABHN Cc1nc(C[C@@H]2CCCN(Cc3ccsc3)C2)cc(C(N)=O)n1 ZINC000257255871 244282315 /nfs/dbraw/zinc/28/23/15/244282315.db2.gz KJFLMHRBRZTGDG-ZDUSSCGKSA-N 0 3 330.457 2.400 40 0 EEABHN Cn1cc(CN2CC[C@H](C(=O)NCCc3ccc(Cl)cc3)C2)cn1 ZINC000019747980 212061124 /nfs/dbraw/zinc/06/11/24/212061124.db2.gz XRRDQIUTIGOREX-INIZCTEOSA-N 0 3 346.862 2.254 40 0 EEABHN COc1cccc(C(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)c1 ZINC000019564489 212044049 /nfs/dbraw/zinc/04/40/49/212044049.db2.gz PDTWXSDMUABTPK-KRWDZBQOSA-N 0 3 338.411 2.108 40 0 EEABHN CC(C)N(C(=O)[C@H](C)N)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079391320 217218194 /nfs/dbraw/zinc/21/81/94/217218194.db2.gz AQSVDVTZBHXIFJ-MJBXVCDLSA-N 0 3 327.469 2.407 40 0 EEABHN CC(C)N(C(=O)CN)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079392978 217218364 /nfs/dbraw/zinc/21/83/64/217218364.db2.gz IEUVSSVHHUKAQW-SJORKVTESA-N 0 3 347.459 2.420 40 0 EEABHN O=C(OCc1ccccc1)N(C[C@H]1CCCN(CCO)C1)C1CC1 ZINC000079411302 217222023 /nfs/dbraw/zinc/22/20/23/217222023.db2.gz FEKOAKYERJACGR-KRWDZBQOSA-N 0 3 332.444 2.492 40 0 EEABHN NS(=O)(=O)c1ccc(CCNCc2cc(Cl)ccc2F)cc1 ZINC000095435678 218378235 /nfs/dbraw/zinc/37/82/35/218378235.db2.gz YQTPDPHGGRMGMQ-UHFFFAOYSA-N 0 3 342.823 2.459 40 0 EEABHN CCN(CC)CC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000096408551 218760788 /nfs/dbraw/zinc/76/07/88/218760788.db2.gz DDGWDUHKUVRDEI-ZDUSSCGKSA-N 0 3 341.402 2.325 40 0 EEABHN O=C(NC1CCCCC1)C1CCN(CCOC[C@@H]2CCCO2)CC1 ZINC000096421080 218786697 /nfs/dbraw/zinc/78/66/97/218786697.db2.gz BJMNAHZLEXESLH-SFHVURJKSA-N 0 3 338.492 2.343 40 0 EEABHN CN1CCC(O)(OC(=O)[C@@H](c2ccccc2)C2(O)CCCC2)CC1 ZINC000006375812 273871021 /nfs/dbraw/zinc/87/10/21/273871021.db2.gz WHZKZJOSELYKPT-MRXNPFEDSA-N 0 3 333.428 2.033 40 0 EEABHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(C(C)C)cc1 ZINC000298114776 465306379 /nfs/dbraw/zinc/30/63/79/465306379.db2.gz RKZGPVROISMBRH-QGZVFWFLSA-N 0 3 331.460 2.027 40 0 EEABHN CCOC(=O)c1cnc2c(OC)cc(C)cc2c1N1CCNCC1 ZINC000064874685 462726336 /nfs/dbraw/zinc/72/63/36/462726336.db2.gz CPFLFTWDEPUQQA-UHFFFAOYSA-N 0 3 329.400 2.138 40 0 EEABHN CSCC[C@@H](N)C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000157579881 463145677 /nfs/dbraw/zinc/14/56/77/463145677.db2.gz CZNIOERACXJEOG-OAHLLOKOSA-N 0 3 341.908 2.065 40 0 EEABHN CN(C)C(=O)[C@H]1CO[C@H]2CCN(CCOCc3ccccc3)C[C@H]2C1 ZINC000096042641 463147568 /nfs/dbraw/zinc/14/75/68/463147568.db2.gz SYUZFHXBCDPQIR-QRVBRYPASA-N 0 3 346.471 2.018 40 0 EEABHN c1csc(CN2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)n1 ZINC000096055178 463156779 /nfs/dbraw/zinc/15/67/79/463156779.db2.gz ZRSXJXCUSLAPOX-IAGOWNOFSA-N 0 3 344.484 2.261 40 0 EEABHN O=C([C@@H]1CCCO1)N1CCC[C@@]2(CCCN2Cc2cccnc2)C1 ZINC000096071480 463165661 /nfs/dbraw/zinc/16/56/61/463165661.db2.gz YYIJXDFCNSPPBH-PKOBYXMFSA-N 0 3 329.444 2.218 40 0 EEABHN Fc1ccc2nc(CO[C@H]3CN(C4CCOCC4)C[C@H]3F)[nH]c2c1 ZINC000096112228 463180316 /nfs/dbraw/zinc/18/03/16/463180316.db2.gz WVNWZDUUDWOMEF-CJNGLKHVSA-N 0 3 337.370 2.420 40 0 biogenic,in-vitro EEABHN O=C(c1ccncc1)N1C[C@@H]2CN(Cc3ccccc3F)C[C@H]2C1 ZINC000096245578 463226956 /nfs/dbraw/zinc/22/69/56/463226956.db2.gz XCDPGGZJOVAQKP-IRXDYDNUSA-N 0 3 325.387 2.425 40 0 EEABHN c1ccc(OC[C@@H]2C[C@H]3OCCN(CC4CCOCC4)[C@@H]3C2)nc1 ZINC000096250614 463227719 /nfs/dbraw/zinc/22/77/19/463227719.db2.gz HMPSJDWWOACBQJ-RCCFBDPRSA-N 0 3 332.444 2.366 40 0 EEABHN COCCN1CC[C@@H](NC(=O)/C=C/c2cn(C)c3ccccc23)C1 ZINC000096430949 463259873 /nfs/dbraw/zinc/25/98/73/463259873.db2.gz PTBZQCNQMAWYKQ-KXPUMZMLSA-N 0 3 327.428 2.028 40 0 EEABHN CC(C)(C)OC[C@@H](O)CN1CCC(NC(=O)C2CCCCC2)CC1 ZINC000096483277 463282642 /nfs/dbraw/zinc/28/26/42/463282642.db2.gz ZONGKXAYYAICTF-KRWDZBQOSA-N 0 3 340.508 2.323 40 0 EEABHN O=C1CCCN1C[C@@H](O)CNC1(c2ccc(F)cc2F)CCCC1 ZINC000096492226 463287630 /nfs/dbraw/zinc/28/76/30/463287630.db2.gz MZXYOVZEYVDXCN-AWEZNQCLSA-N 0 3 338.398 2.307 40 0 EEABHN Cc1nc(C[C@@H]2CCCN(Cc3ccccc3F)C2)cc(C(N)=O)n1 ZINC000257297643 463767767 /nfs/dbraw/zinc/76/77/67/463767767.db2.gz RIGKHSGZGFQNAW-AWEZNQCLSA-N 0 3 342.418 2.478 40 0 EEABHN CN1CCN(C(=O)c2cc[nH]n2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257332901 463780792 /nfs/dbraw/zinc/78/07/92/463780792.db2.gz XZHBQLYPDFZULG-HNNXBMFYSA-N 0 3 349.438 2.204 40 0 EEABHN CN1CCN(C(=O)c2ccn[nH]2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257332901 463780797 /nfs/dbraw/zinc/78/07/97/463780797.db2.gz XZHBQLYPDFZULG-HNNXBMFYSA-N 0 3 349.438 2.204 40 0 EEABHN O=C(c1ccc(F)cc1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257336585 463783937 /nfs/dbraw/zinc/78/39/37/463783937.db2.gz YPBRMCTYEXNMAG-MRXNPFEDSA-N 0 3 342.361 2.134 40 0 EEABHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000195540366 464073541 /nfs/dbraw/zinc/07/35/41/464073541.db2.gz HVTNJQMUGPUVKW-YOEHRIQHSA-N 0 3 342.447 2.130 40 0 EEABHN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)n1C ZINC000223260946 464139191 /nfs/dbraw/zinc/13/91/91/464139191.db2.gz DNSKKUNCEAMLIC-IAGOWNOFSA-N 0 3 343.500 2.263 40 0 EEABHN C[N@@H+]1CC[C@H](Nc2ncnc3[n-]cnc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000225600740 464174632 /nfs/dbraw/zinc/17/46/32/464174632.db2.gz LRIHMPKQHYTWLD-JSGCOSHPSA-N 0 3 330.342 2.488 40 0 EEABHN C[N@H+]1CC[C@H](Nc2ncnc3[n-]cnc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000225600740 464174635 /nfs/dbraw/zinc/17/46/35/464174635.db2.gz LRIHMPKQHYTWLD-JSGCOSHPSA-N 0 3 330.342 2.488 40 0 EEABHN CN(C)C[C@@H](NC(=O)NCCc1ccnn1C)c1ccc(Cl)cc1 ZINC000225790325 535940827 /nfs/dbraw/zinc/94/08/27/535940827.db2.gz WTVXJWNWKVIUHM-MRXNPFEDSA-N 0 3 349.866 2.218 40 0 EEABHN COc1ccc(OC)c(-c2ccc3nnc([C@@H](N)C(C)C)n3n2)c1 ZINC000217565769 536824593 /nfs/dbraw/zinc/82/45/93/536824593.db2.gz PXQASURUOGRUHY-INIZCTEOSA-N 0 3 327.388 2.464 40 0 EEABHN O[C@@H]1CN(Cc2ccc(F)c(F)c2)CC[C@H]1NCc1ccccn1 ZINC000036739960 213115201 /nfs/dbraw/zinc/11/52/01/213115201.db2.gz KSRWPFBCOWQKEB-QZTJIDSGSA-N 0 3 333.382 2.085 40 0 EEABHN Cn1nncc1CN[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000253418767 243948397 /nfs/dbraw/zinc/94/83/97/243948397.db2.gz XDYALIFHUSYPPH-NSHDSACASA-N 0 3 341.337 2.082 40 0 EEABHN C[C@H](CC(=O)NCCN1CCC(C)CC1)n1nnc2ccccc21 ZINC000019496901 212032748 /nfs/dbraw/zinc/03/27/48/212032748.db2.gz VTRQDSXVDHGMAD-OAHLLOKOSA-N 0 3 329.448 2.231 40 0 EEABHN C[C@H](N)C(=O)N1CCCC[C@@H]1CN(C(=O)OC(C)(C)C)C1CC1 ZINC000079409909 217221868 /nfs/dbraw/zinc/22/18/68/217221868.db2.gz HCILIKGUFDWUSQ-GXTWGEPZSA-N 0 3 325.453 2.114 40 0 EEABHN CC[C@@H](CN1CCCC1)NC(=O)Cc1cc(C(C)=O)ccc1OC ZINC000012362869 211355514 /nfs/dbraw/zinc/35/55/14/211355514.db2.gz SAPXWOXENLBZGS-KRWDZBQOSA-N 0 3 332.444 2.431 40 0 EEABHN Cc1cc(C)c2cc(CNC[C@@H]3CCCO3)c3nn(C)c(=O)n3c2c1 ZINC000012325219 211348701 /nfs/dbraw/zinc/34/87/01/211348701.db2.gz SCXLBWFSILKIAU-HNNXBMFYSA-N 0 3 340.427 2.072 40 0 EEABHN CC(C)N(C[C@@H]1CCCN(C(=O)[C@H](C)N)C1)C(=O)OC(C)(C)C ZINC000079409822 279447194 /nfs/dbraw/zinc/44/71/94/279447194.db2.gz GMWVOWFRWMWXQH-UONOGXRCSA-N 0 3 327.469 2.218 40 0 EEABHN Cn1cc(N2CC[C@H](N[C@@H]3CCC[C@@H](C(F)(F)F)C3)C2=O)cn1 ZINC000249199328 294255495 /nfs/dbraw/zinc/25/54/95/294255495.db2.gz SJKJQJUSMXCMHW-WZRBSPASSA-N 0 3 330.354 2.236 40 0 EEABHN COc1ccccc1[C@@H]1CC[C@H](C)CN1CCCS(N)(=O)=O ZINC000239782505 295391090 /nfs/dbraw/zinc/39/10/90/295391090.db2.gz COTDFFPPWWTUSX-ZFWWWQNUSA-N 0 3 326.462 2.147 40 0 EEABHN C[C@@H](NCCn1c2ccccc2[nH]c1=O)c1ccc([S@](C)=O)cc1 ZINC000090220615 462785308 /nfs/dbraw/zinc/78/53/08/462785308.db2.gz GBCTXJSJIXJAID-YEBMWUKDSA-N 0 3 343.452 2.418 40 0 EEABHN C[C@@H](CNC(=O)Nc1ccc(F)cc1Cl)CN1CCN(C)CC1 ZINC000076330544 462842708 /nfs/dbraw/zinc/84/27/08/462842708.db2.gz HBQDKQUYTALIFC-LBPRGKRZSA-N 0 3 342.846 2.484 40 0 EEABHN O=C1CCCN1[C@@H]1CCCN(CCc2nc(-c3ccccc3)no2)C1 ZINC000077286496 462963753 /nfs/dbraw/zinc/96/37/53/462963753.db2.gz KIPSEYOOFTYICU-MRXNPFEDSA-N 0 3 340.427 2.366 40 0 EEABHN Cc1cc2nc([C@H]3CCCN(Cc4cn(C)nc4C)C3)cc(N)n2n1 ZINC000019129371 463014301 /nfs/dbraw/zinc/01/43/01/463014301.db2.gz HLAYDFQAIFUEDY-AWEZNQCLSA-N 0 3 339.447 2.041 40 0 EEABHN Cc1cc(OCC(=O)N2C[C@H]3CCCN3Cc3ccccc32)no1 ZINC000078615873 463133660 /nfs/dbraw/zinc/13/36/60/463133660.db2.gz XMKRNZBYGDKRQT-OAHLLOKOSA-N 0 3 327.384 2.373 40 0 EEABHN Cn1cccc1CN1CCC2(CC1)CN(Cc1cccnc1)CCO2 ZINC000096038471 463142982 /nfs/dbraw/zinc/14/29/82/463142982.db2.gz SYVJPEIOCVGAQL-UHFFFAOYSA-N 0 3 340.471 2.287 40 0 EEABHN O=C1N(Cc2cccnc2)CC[C@]12CCCN(Cc1ccccn1)C2 ZINC000096048628 463151880 /nfs/dbraw/zinc/15/18/80/463151880.db2.gz SXAIWRUBAPFYOV-FQEVSTJZSA-N 0 3 336.439 2.491 40 0 EEABHN O=C(N[C@H]1CCC12CCN(Cc1ccco1)CC2)c1cnccn1 ZINC000096051476 463154860 /nfs/dbraw/zinc/15/48/60/463154860.db2.gz PWBONDNBUJLOHE-INIZCTEOSA-N 0 3 326.400 2.244 40 0 EEABHN Cc1cccc(CO[C@H]2C[C@H]3CN(Cc4ccco4)CCN3C2)n1 ZINC000096055065 463156666 /nfs/dbraw/zinc/15/66/66/463156666.db2.gz SRBYCHLFLJTOKI-HKUYNNGSSA-N 0 3 327.428 2.458 40 0 EEABHN CN(C)CCOC[C@@H]1CC[C@H]2[C@@H]1OCCN2Cc1ccc(F)cc1 ZINC000096055210 463158004 /nfs/dbraw/zinc/15/80/04/463158004.db2.gz ZRIRAWQRHWOJEO-YTQUADARSA-N 0 3 336.451 2.383 40 0 EEABHN COc1ccc(CN2CCC3(CC[C@H](C(=O)N(C)C)O3)CC2)cc1 ZINC000096061137 463161739 /nfs/dbraw/zinc/16/17/39/463161739.db2.gz SQLUFZKZEQOQII-QGZVFWFLSA-N 0 3 332.444 2.297 40 0 EEABHN CN(C)CCN1CCN(C(=O)c2ccsc2)Cc2cccnc21 ZINC000096198834 463204523 /nfs/dbraw/zinc/20/45/23/463204523.db2.gz VVGSEWATDNKQBL-UHFFFAOYSA-N 0 3 330.457 2.167 40 0 EEABHN COc1ccccc1CN1CC[C@]2(C1)C[C@@H](NC(=O)C1CC1)CCO2 ZINC000096207540 463210661 /nfs/dbraw/zinc/21/06/61/463210661.db2.gz MEMGBYPBQPLSGD-FXAWDEMLSA-N 0 3 344.455 2.345 40 0 EEABHN CN1CCN(C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC000028220971 463219302 /nfs/dbraw/zinc/21/93/02/463219302.db2.gz JIGARXCIJZWIME-MRXNPFEDSA-N 0 3 335.879 2.326 40 0 EEABHN Cc1cc(N2CC[C@H](N[C@@H](C)CCc3ccc(O)cc3)C2=O)n(C)n1 ZINC000136471915 463241957 /nfs/dbraw/zinc/24/19/57/463241957.db2.gz USZJWKGMMDFARV-GUYCJALGSA-N 0 3 342.443 2.150 40 0 EEABHN Cc1cn2c(n1)CC[C@@H](N[C@H]1CCCN(c3ccccc3F)C1=O)C2 ZINC000096486211 463283689 /nfs/dbraw/zinc/28/36/89/463283689.db2.gz HIATWEVIZJVSRJ-ZBFHGGJFSA-N 0 3 342.418 2.431 40 0 EEABHN CC[C@@H](NCc1ccccc1C(F)(F)F)C(=O)N1CCOCC1 ZINC000096493678 463287676 /nfs/dbraw/zinc/28/76/76/463287676.db2.gz QYFQMVJNCYNEBZ-CQSZACIVSA-N 0 3 330.350 2.432 40 0 EEABHN CCc1noc(C2CCC(N[C@H](C(N)=O)c3ccccc3)CC2)n1 ZINC000097234098 463352043 /nfs/dbraw/zinc/35/20/43/463352043.db2.gz XZXQQOGVQFVANW-XUJLQICISA-N 0 3 328.416 2.474 40 0 EEABHN O=C1C[C@@H]2[C@H](CCN2Cc2ccc(F)cc2)N1CCN1CCCC1 ZINC000107198439 463560812 /nfs/dbraw/zinc/56/08/12/463560812.db2.gz HSMCIWNGOAOSLI-ZWKOTPCHSA-N 0 3 331.435 2.097 40 0 EEABHN COc1ccc(F)cc1C(=O)N1CCO[C@@H](c2cc(N)cc(C)n2)C1 ZINC000257344279 463788143 /nfs/dbraw/zinc/78/81/43/463788143.db2.gz ZWKJXHMNMAIGSB-QGZVFWFLSA-N 0 3 345.374 2.334 40 0 EEABHN CC[C@H](CO)N[C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000195561764 464077929 /nfs/dbraw/zinc/07/79/29/464077929.db2.gz CVLKSEKSMSCOQX-DJIMGWMZSA-N 0 3 325.474 2.440 40 0 EEABHN O=C(Cc1cccs1)N1Cc2ccnn2[C@@H](CN2CCCC2)C1 ZINC000247854081 464711168 /nfs/dbraw/zinc/71/11/68/464711168.db2.gz JSGSABQJQYHPFQ-HNNXBMFYSA-N 0 3 330.457 2.166 40 0 EEABHN NC(=O)[C@@H]1CCCN1C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000252490744 464966276 /nfs/dbraw/zinc/96/62/76/464966276.db2.gz LAAROIQBGRTVFU-INIZCTEOSA-N 0 3 339.842 2.393 40 0 EEABHN CO[C@@H](C)c1nsc(N2CC[C@@H](OCCN3CCCCC3)C2)n1 ZINC000252536255 464981812 /nfs/dbraw/zinc/98/18/12/464981812.db2.gz HZUKKOYWHAIONJ-UONOGXRCSA-N 0 3 340.493 2.327 40 0 EEABHN C[C@H](NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccnn1C ZINC000192887327 465012818 /nfs/dbraw/zinc/01/28/18/465012818.db2.gz QEBWHBMJBWWNFU-HZMBPMFUSA-N 0 3 337.807 2.229 40 0 EEABHN CCOc1ccc(CC(=O)NCC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000575606956 468146369 /nfs/dbraw/zinc/14/63/69/468146369.db2.gz NFEOLZIMHOBTPI-GOSISDBHSA-N 0 3 346.471 2.245 40 0 EEABHN Cc1ccc(C(=O)N2CCC[C@@]3(CCCN3CC(=O)N(C)C)CC2)o1 ZINC000585100121 468968442 /nfs/dbraw/zinc/96/84/42/468968442.db2.gz GEBQCZXDXVGPNR-LJQANCHMSA-N 0 3 347.459 2.137 40 0 EEABHN CCOc1cncc(CN[C@@H]2CCCN(c3ccc(C)nn3)C2)c1 ZINC000621334323 470032829 /nfs/dbraw/zinc/03/28/29/470032829.db2.gz AFSHSUQXMQEABP-MRXNPFEDSA-N 0 3 327.432 2.337 40 0 EEABHN CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)CN)cc1 ZINC000218602785 536195005 /nfs/dbraw/zinc/19/50/05/536195005.db2.gz OZIFQFHUBZQUSV-GBESFXJTSA-N 0 3 344.480 2.153 40 0 EEABHN CN(C)c1cncc(C2CCN(C(=O)[C@]3(C)CCCCN3C)CC2)n1 ZINC000072367359 216174565 /nfs/dbraw/zinc/17/45/65/216174565.db2.gz OOWWJALTUXNUEL-IBGZPJMESA-N 0 3 345.491 2.123 40 0 EEABHN CNc1cc(C2CCN(C(=O)[C@@]3(C)CCCCN3C)CC2)nc(C)n1 ZINC000072367367 216175277 /nfs/dbraw/zinc/17/52/77/216175277.db2.gz QITJTLHOJXXVPT-LJQANCHMSA-N 0 3 345.491 2.407 40 0 EEABHN CN(c1ccccc1)c1ccc(C[C@@H]2CCCN(CCO)C2)nn1 ZINC000072387239 216186463 /nfs/dbraw/zinc/18/64/63/216186463.db2.gz AVVLOJBOQAIBID-INIZCTEOSA-N 0 3 326.444 2.491 40 0 EEABHN Cc1cccc(CN2CCC[C@@H](Cc3cc(C(N)=O)ncn3)CC2)n1 ZINC000257230628 244210885 /nfs/dbraw/zinc/21/08/85/244210885.db2.gz GDDWPOXUKMISKT-OAHLLOKOSA-N 0 3 339.443 2.124 40 0 EEABHN CCOc1ccc(C[N@@H+]2CC[C@@H](c3cc(=O)[n-]c(C)n3)C2)cc1OC ZINC000019533713 212039396 /nfs/dbraw/zinc/03/93/96/212039396.db2.gz XGEAFSRXJRMSFP-OAHLLOKOSA-N 0 3 343.427 2.475 40 0 EEABHN CCOc1ccc(C[N@H+]2CC[C@@H](c3cc(=O)[n-]c(C)n3)C2)cc1OC ZINC000019533713 212039400 /nfs/dbraw/zinc/03/94/00/212039400.db2.gz XGEAFSRXJRMSFP-OAHLLOKOSA-N 0 3 343.427 2.475 40 0 EEABHN C[C@H](NC1(CNC(=O)[C@H]2CCOC2)CCOCC1)c1ccccc1 ZINC000079096291 217192086 /nfs/dbraw/zinc/19/20/86/217192086.db2.gz VVJCIOORLHYZNQ-RDJZCZTQSA-N 0 3 332.444 2.039 40 0 EEABHN CCN(C(=O)[C@H](C)N)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079393141 217218824 /nfs/dbraw/zinc/21/88/24/217218824.db2.gz AFDOFWRFUWJJQK-USXIJHARSA-N 0 3 347.459 2.420 40 0 EEABHN C[C@H](N)C(=O)N1CCC[C@H]1CN(C(=O)OCc1ccccc1)C1CC1 ZINC000079413043 217222525 /nfs/dbraw/zinc/22/25/25/217222525.db2.gz OGUXCAFCWBTJKZ-YOEHRIQHSA-N 0 3 345.443 2.126 40 0 EEABHN CC(C)[C@@H](CCN[C@@H]1CS(=O)(=O)C[C@@H]1O)c1ccc(Cl)cc1 ZINC000013722053 211621367 /nfs/dbraw/zinc/62/13/67/211621367.db2.gz IVQRGOYRMMQZOP-OAGGEKHMSA-N 0 3 345.892 2.217 40 0 EEABHN Cc1ccc(=O)n(CC2(O)C[C@H]3CC[C@@H](C2)N3Cc2ccsc2)n1 ZINC000012366058 211356566 /nfs/dbraw/zinc/35/65/66/211356566.db2.gz PLKQUHBZKYINJH-BYICEURKSA-N 0 3 345.468 2.171 40 0 EEABHN CCc1ccccc1NC(=O)C[C@@H](C)NC[C@@](C)(O)c1cnn(C)c1 ZINC000095423102 218365142 /nfs/dbraw/zinc/36/51/42/218365142.db2.gz OUFHWUPEANRFGN-AUUYWEPGSA-N 0 3 344.459 2.197 40 0 EEABHN Cc1cc([C@@H](C)N[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)c(C)s1 ZINC000097373655 219017740 /nfs/dbraw/zinc/01/77/40/219017740.db2.gz ILCYVKIFKYBJRH-NEPJUHHUSA-N 0 3 337.489 2.128 40 0 EEABHN CCN1CCN(CCC(=O)N2C[C@@H](C)OC[C@@H]2c2ccccc2)CC1 ZINC000074196531 276383615 /nfs/dbraw/zinc/38/36/15/276383615.db2.gz IJECZHVRFBQNEQ-IEBWSBKVSA-N 0 3 345.487 2.003 40 0 EEABHN CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)N ZINC000079409841 279299416 /nfs/dbraw/zinc/29/94/16/279299416.db2.gz SQQMVVUDDZYMOM-IHRRRGAJSA-N 0 3 327.469 2.407 40 0 EEABHN COc1ncccc1C(=O)N1CCCSC[C@@H]1CN1CCCC1 ZINC000085473144 295461862 /nfs/dbraw/zinc/46/18/62/295461862.db2.gz PWOKDWQRCFUKBO-AWEZNQCLSA-N 0 3 335.473 2.134 40 0 EEABHN O=C(c1cn(CC2CC2)nn1)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000333864981 312207232 /nfs/dbraw/zinc/20/72/32/312207232.db2.gz NVNMDYZEWYNUEH-INIZCTEOSA-N 0 3 337.427 2.313 40 0 EEABHN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000097372486 323322551 /nfs/dbraw/zinc/32/25/51/323322551.db2.gz HGZMZJSFUGYPDG-PBHICJAKSA-N 0 3 348.491 2.233 40 0 EEABHN COc1ncccc1C(=O)N1CCCSC[C@H]1CN1CCCC1 ZINC000085473147 462550529 /nfs/dbraw/zinc/55/05/29/462550529.db2.gz PWOKDWQRCFUKBO-CQSZACIVSA-N 0 3 335.473 2.134 40 0 EEABHN CCCCOc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2CC)cc1 ZINC000006651477 462694570 /nfs/dbraw/zinc/69/45/70/462694570.db2.gz GJLPKIPSWATWCN-MRXNPFEDSA-N 0 3 347.459 2.405 40 0 EEABHN CNCc1cc(N(C)C)nc([C@H]2CCCN2C(=O)C2CCCC2)n1 ZINC000019760658 463021238 /nfs/dbraw/zinc/02/12/38/463021238.db2.gz YICWUZAUPXPCJZ-OAHLLOKOSA-N 0 3 331.464 2.116 40 0 EEABHN CC(=O)Nc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000095438996 463084323 /nfs/dbraw/zinc/08/43/23/463084323.db2.gz KMQPRGIYRYIJCF-SFHVURJKSA-N 0 3 340.423 2.443 40 0 EEABHN CSCC[C@H](N)C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000157579730 463145159 /nfs/dbraw/zinc/14/51/59/463145159.db2.gz CZNIOERACXJEOG-HNNXBMFYSA-N 0 3 341.908 2.065 40 0 EEABHN O=C1N(Cc2cccnc2)CC[C@@]12CCCN(Cc1cccnc1)C2 ZINC000096048631 463152369 /nfs/dbraw/zinc/15/23/69/463152369.db2.gz YVMPGJALLARIRU-HXUWFJFHSA-N 0 3 336.439 2.491 40 0 EEABHN Cc1ccc(CN2CCN3C[C@H](OCc4ccccn4)C[C@@H]3C2)o1 ZINC000096055122 463156637 /nfs/dbraw/zinc/15/66/37/463156637.db2.gz DAQCBLTXJHHDTH-IEBWSBKVSA-N 0 3 327.428 2.458 40 0 EEABHN Cc1ccc(CN2C[C@@H](C(=O)N3CCCC3)C3(C2)CCOCC3)o1 ZINC000096052182 463156802 /nfs/dbraw/zinc/15/68/02/463156802.db2.gz ZTXOIKQNVHVZNI-KRWDZBQOSA-N 0 3 332.444 2.439 40 0 EEABHN Cc1ccc(N2CC[C@@H]3[C@@H]2CCN3Cc2ccc3c(c2)OCO3)nn1 ZINC000096184858 463195696 /nfs/dbraw/zinc/19/56/96/463195696.db2.gz FALZECRXSLNHHL-CVEARBPZSA-N 0 3 338.411 2.367 40 0 EEABHN O=C(NCc1cccnc1)[C@@H]1C[C@H]2[C@H](CCN2Cc2cccs2)O1 ZINC000096186580 463198598 /nfs/dbraw/zinc/19/85/98/463198598.db2.gz KGLDMVSOTFAXJS-ULQDDVLXSA-N 0 3 343.452 2.191 40 0 EEABHN O=C(NCc1ccc(F)cc1)C1=NO[C@@]2(CCN(CC3CC3)C2)C1 ZINC000096226091 463221423 /nfs/dbraw/zinc/22/14/23/463221423.db2.gz YUNOIJVMIGPAIF-SFHVURJKSA-N 0 3 331.391 2.073 40 0 EEABHN Cc1nn(C)cc1C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000096433131 463261104 /nfs/dbraw/zinc/26/11/04/463261104.db2.gz XQROOVDNTDAEDI-OAHLLOKOSA-N 0 3 326.444 2.465 40 0 EEABHN N[C@H](Cc1ccccc1)C(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000096481246 463281291 /nfs/dbraw/zinc/28/12/91/463281291.db2.gz MUVKBKFUYKDGGC-QZTJIDSGSA-N 0 3 328.387 2.296 40 0 EEABHN N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000096481248 463281703 /nfs/dbraw/zinc/28/17/03/463281703.db2.gz VNIHNXQEBUHCDT-ROUUACIJSA-N 0 3 328.387 2.296 40 0 EEABHN CC(C)(CN[C@@H]1CCN(c2cccc(Cl)c2)C1)S(C)(=O)=O ZINC000096494386 463287691 /nfs/dbraw/zinc/28/76/91/463287691.db2.gz CRCBHTBAVAHSRA-CYBMUJFWSA-N 0 3 330.881 2.332 40 0 EEABHN Fc1ccc(CN2CC[C@]3(C[C@@H](Nc4cnccn4)CO3)C2)cc1 ZINC000107728302 463580193 /nfs/dbraw/zinc/58/01/93/463580193.db2.gz SVYTUDPYYWORCF-AEFFLSMTSA-N 0 3 328.391 2.461 40 0 EEABHN O=C([C@@H]1COC[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21)N1CCCCO1 ZINC000107709833 463580232 /nfs/dbraw/zinc/58/02/32/463580232.db2.gz XDYFEDDOKWBQFR-KBAYOESNSA-N 0 3 348.418 2.074 40 0 EEABHN Cc1cc(C)nc(N2CC[C@H](O)[C@@H](N3CCC(F)(F)CC3)CC2)n1 ZINC000257330104 463781365 /nfs/dbraw/zinc/78/13/65/463781365.db2.gz XMVOIBDXTQWFPZ-GJZGRUSLSA-N 0 3 340.418 2.154 40 0 EEABHN COCc1cc(N2CCN(C[C@@H]3CCOC3)CC2)nc(C(C)(C)C)n1 ZINC000195544967 464074427 /nfs/dbraw/zinc/07/44/27/464074427.db2.gz YRVRAFATKPBWDC-HNNXBMFYSA-N 0 3 348.491 2.079 40 0 EEABHN S=C(NC[C@H]1CCCO1)NC1CCN(Cc2cccs2)CC1 ZINC000225231615 464154248 /nfs/dbraw/zinc/15/42/48/464154248.db2.gz DOODQJFMNJDRDT-CQSZACIVSA-N 0 3 339.530 2.356 40 0 EEABHN CN1CC[C@@H](Nc2cc(-n3cccn3)nc(N)n2)[C@@H]1c1ccccc1 ZINC000225600168 464175019 /nfs/dbraw/zinc/17/50/19/464175019.db2.gz NPJVCTDKZDTPRZ-PBHICJAKSA-N 0 3 335.415 2.102 40 0 EEABHN CN1CCC[C@H](CNS(=O)(=O)Cc2ccon2)[C@H]1c1ccccc1 ZINC000245289815 464469902 /nfs/dbraw/zinc/46/99/02/464469902.db2.gz FHHCXUCJOCUOQQ-NVXWUHKLSA-N 0 3 349.456 2.177 40 0 EEABHN COC(=O)[C@@H]1CCN(Cc2ccccc2N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000245316858 464470535 /nfs/dbraw/zinc/47/05/35/464470535.db2.gz KXKQICJGNUOFOG-YQQAZPJKSA-N 0 3 332.444 2.295 40 0 EEABHN CS(=O)(=O)N1CCC[C@@H]1CN[C@H]1CCCOc2cc(F)ccc21 ZINC000182166366 464589133 /nfs/dbraw/zinc/58/91/33/464589133.db2.gz RTCPTZKVOIXEHN-HIFRSBDPSA-N 0 3 342.436 2.053 40 0 EEABHN Cc1cccnc1[C@H](NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)C(C)C ZINC000252476849 464959450 /nfs/dbraw/zinc/95/94/50/464959450.db2.gz CMHAJPQCARIRKD-YESZJQIVSA-N 0 3 346.475 2.250 40 0 EEABHN Cc1noc(C)c1CN1CCc2ncnc(-c3cnn(C)c3)c2CC1 ZINC000096255194 282385187 /nfs/dbraw/zinc/38/51/87/282385187.db2.gz NDGDBSYWAJSYTC-UHFFFAOYSA-N 0 3 338.415 2.083 40 0 EEABHN COCCN1CCC(CNC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000038489560 213211001 /nfs/dbraw/zinc/21/10/01/213211001.db2.gz BXOMSFUJSATQJV-UHFFFAOYSA-N 0 3 339.867 2.498 40 0 EEABHN COc1ccc([C@H](CN)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000035622922 213042933 /nfs/dbraw/zinc/04/29/33/213042933.db2.gz ADROAGHLHUGPGF-HOCLYGCPSA-N 0 3 335.448 2.294 40 0 EEABHN CN(C)CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCO1 ZINC000072371178 216176733 /nfs/dbraw/zinc/17/67/33/216176733.db2.gz MOXUCPBLTCVBDX-LJQANCHMSA-N 0 3 343.427 2.111 40 0 EEABHN CC[C@H]1CCCC[N@@H+]1CCC[N-]S(=O)(=O)c1c(C)noc1C ZINC000225875500 242067580 /nfs/dbraw/zinc/06/75/80/242067580.db2.gz NQXCRRJDVVJFPG-AWEZNQCLSA-N 0 3 329.466 2.224 40 0 EEABHN CC[C@H]1CCCC[N@H+]1CCC[N-]S(=O)(=O)c1c(C)noc1C ZINC000225875500 242067584 /nfs/dbraw/zinc/06/75/84/242067584.db2.gz NQXCRRJDVVJFPG-AWEZNQCLSA-N 0 3 329.466 2.224 40 0 EEABHN Cc1cccc(CN2CCC[C@H](Cc3cc(C(N)=O)ncn3)CC2)n1 ZINC000257230627 244211421 /nfs/dbraw/zinc/21/14/21/244211421.db2.gz GDDWPOXUKMISKT-HNNXBMFYSA-N 0 3 339.443 2.124 40 0 EEABHN CN(C)C(=O)c1cc(C[C@@H]2CCCN(Cc3ccccn3)C2)ncn1 ZINC000257236824 244231980 /nfs/dbraw/zinc/23/19/80/244231980.db2.gz HDXXEZSHTNXQRW-HNNXBMFYSA-N 0 3 339.443 2.028 40 0 EEABHN NCc1cnn(-c2ccccc2C(=O)NCc2nc3ccccc3[nH]2)c1 ZINC000257271853 244380615 /nfs/dbraw/zinc/38/06/15/244380615.db2.gz NABKLXQMASFHJL-UHFFFAOYSA-N 0 3 346.394 2.137 40 0 EEABHN Cn1nccc1CN1CC[C@@H](c2cc(C(N)=O)c3ccccc3n2)C1 ZINC000019762595 212062861 /nfs/dbraw/zinc/06/28/61/212062861.db2.gz AJUSAADVIKZLKO-CYBMUJFWSA-N 0 3 335.411 2.057 40 0 EEABHN CN(C)c1ncc(CN2CCC[C@](C)(C(=O)NC3CCCC3)C2)cn1 ZINC000019746705 212061095 /nfs/dbraw/zinc/06/10/95/212061095.db2.gz NLPLOGBERJSQBH-IBGZPJMESA-N 0 3 345.491 2.204 40 0 EEABHN CC(C)N(C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)[C@H](C)N ZINC000079393154 217218152 /nfs/dbraw/zinc/21/81/52/217218152.db2.gz RXSVAPIPCMEPNN-DOTOQJQBSA-N 0 3 347.459 2.229 40 0 EEABHN CCN(C[C@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)[C@H](C)N ZINC000079393128 217218159 /nfs/dbraw/zinc/21/81/59/217218159.db2.gz ODXNZCXSUHCFBE-DOTOQJQBSA-N 0 3 347.459 2.373 40 0 EEABHN COc1nc(-c2ccccc2)nc(C)c1CC(=O)N(C)CCN(C)C ZINC000012360865 211355869 /nfs/dbraw/zinc/35/58/69/211355869.db2.gz GQAHWTSPZOZVSX-UHFFFAOYSA-N 0 3 342.443 2.023 40 0 EEABHN COc1ccc(OC)c(CN[C@@H]2COC[C@H]2Cc2cc(C)no2)c1 ZINC000012366567 211357802 /nfs/dbraw/zinc/35/78/02/211357802.db2.gz CRARTQYOWAIQDP-RHSMWYFYSA-N 0 3 332.400 2.348 40 0 EEABHN CN(Cc1ccc2c(c1)OCCO2)C(=O)C[C@H](N)Cc1ccccc1 ZINC000095427979 218370314 /nfs/dbraw/zinc/37/03/14/218370314.db2.gz YDVZFNPJAJDEAP-QGZVFWFLSA-N 0 3 340.423 2.376 40 0 EEABHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CCCO1 ZINC000271066993 256204604 /nfs/dbraw/zinc/20/46/04/256204604.db2.gz MIOGNYRKLWBVOR-WMZOPIPTSA-N 0 3 332.444 2.384 40 0 EEABHN Cc1ccc(C(=O)N2CC[C@@H](N(C)C)[C@@H]2Cc2cnn(C)c2)cc1 ZINC000096200907 292062179 /nfs/dbraw/zinc/06/21/79/292062179.db2.gz KYSYQQYZGHBWAA-MSOLQXFVSA-N 0 3 326.444 2.116 40 0 EEABHN COC(=O)CCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000096413967 277315246 /nfs/dbraw/zinc/31/52/46/277315246.db2.gz MTYDOTYAEIOEEL-NVXWUHKLSA-N 0 3 332.444 2.451 40 0 EEABHN C[C@@H](CNCc1sccc1Br)CN1CCN(C)CC1 ZINC000097378289 463356097 /nfs/dbraw/zinc/35/60/97/463356097.db2.gz JYPGJDNNCPGLIS-LBPRGKRZSA-N 0 3 346.338 2.484 40 0 EEABHN O[C@H](CNCc1cc(F)ccc1Br)C1CCOCC1 ZINC000090186789 462785129 /nfs/dbraw/zinc/78/51/29/462785129.db2.gz PCJXMSCPICOBBL-CQSZACIVSA-N 0 3 332.213 2.465 40 0 EEABHN Cn1cc(CN2CCC[C@]3(CCN(Cc4nccs4)C3)C2)cn1 ZINC000096046981 463150532 /nfs/dbraw/zinc/15/05/32/463150532.db2.gz SBJSRPQGVHSJKS-KRWDZBQOSA-N 0 3 331.489 2.365 40 0 EEABHN CN(C)Cc1cncc2c1CCN(Cc1ccc3c(c1)OCO3)C2 ZINC000096067394 463164807 /nfs/dbraw/zinc/16/48/07/463164807.db2.gz BLYNKWFEIWLRFT-UHFFFAOYSA-N 0 3 325.412 2.430 40 0 EEABHN Cc1cccc(CN2CC[C@]3(CCN(Cc4cnn(C)c4)C3)C2=O)c1 ZINC000096159594 463190335 /nfs/dbraw/zinc/19/03/35/463190335.db2.gz AYSAYBVOTXRGPN-FQEVSTJZSA-N 0 3 338.455 2.353 40 0 EEABHN COCCO[C@@H]1CCN(Cc2cccc(F)c2)[C@H]1Cc1cnn(C)c1 ZINC000096200232 463206155 /nfs/dbraw/zinc/20/61/55/463206155.db2.gz LADRMOZSMXMPCK-RBUKOAKNSA-N 0 3 347.434 2.408 40 0 EEABHN CSCC[C@H](N)C(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000158127394 463208241 /nfs/dbraw/zinc/20/82/41/463208241.db2.gz LRZSFDOWEYIDBC-GJZGRUSLSA-N 0 3 326.437 2.114 40 0 EEABHN COCCN1C(=O)CCC12CCC(NCc1cccnc1OC)CC2 ZINC000096228549 463222078 /nfs/dbraw/zinc/22/20/78/463222078.db2.gz ZJGDTFPYFDVNJD-UHFFFAOYSA-N 0 3 347.459 2.130 40 0 EEABHN Cc1nc(CN2C[C@@H]3CN(Cc4c(C)noc4C)C[C@@H]3C2=O)cs1 ZINC000096245111 463226012 /nfs/dbraw/zinc/22/60/12/463226012.db2.gz ZYXYDYUEEMGALR-BBRMVZONSA-N 0 3 346.456 2.147 40 0 EEABHN COc1cccc(CCCN2CCN([C@H]3CCCN(C)C3)CC2)c1 ZINC000096424369 463255342 /nfs/dbraw/zinc/25/53/42/463255342.db2.gz WIGKUFFABFMUPH-IBGZPJMESA-N 0 3 331.504 2.340 40 0 EEABHN C[C@H](CCOc1ccccc1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000096443664 463268616 /nfs/dbraw/zinc/26/86/16/463268616.db2.gz RIZOEPADMNXWFF-NUJGCVRESA-N 0 3 332.444 2.071 40 0 EEABHN Cc1cccc(NC2CCN(C(=O)CN(C)[C@@H]3CCSC3)CC2)n1 ZINC000096486760 463285599 /nfs/dbraw/zinc/28/55/99/463285599.db2.gz QSJUITCURJONCR-MRXNPFEDSA-N 0 3 348.516 2.230 40 0 EEABHN CC[C@H](NCc1ccccc1C(F)(F)F)C(=O)N1CCOCC1 ZINC000096493676 463288173 /nfs/dbraw/zinc/28/81/73/463288173.db2.gz QYFQMVJNCYNEBZ-AWEZNQCLSA-N 0 3 330.350 2.432 40 0 EEABHN Cc1cccc(CN2CCC[C@]3(C[C@@H](CN4CCOCC4)CO3)C2)n1 ZINC000107790499 463583025 /nfs/dbraw/zinc/58/30/25/463583025.db2.gz WAUJAMRVEFMVGK-ICSRJNTNSA-N 0 3 345.487 2.093 40 0 EEABHN CC(C)(C)CCN1CC[C@@H]2OCCN(C(=O)c3ccncc3)[C@H]2C1 ZINC000108528248 463609526 /nfs/dbraw/zinc/60/95/26/463609526.db2.gz ASQRFOOYTRQUSG-IRXDYDNUSA-N 0 3 331.460 2.433 40 0 EEABHN CC(C)C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1 ZINC000257291673 463764977 /nfs/dbraw/zinc/76/49/77/463764977.db2.gz QICUIOCWHUMJAX-YRXWBPOGSA-N 0 3 346.471 2.194 40 0 EEABHN Cc1nccc([C@@H]2CCCN2C(=O)CCN(C)Cc2cccnc2)n1 ZINC000257298634 463766669 /nfs/dbraw/zinc/76/66/69/463766669.db2.gz RMPOSUUSHIBRLL-SFHVURJKSA-N 0 3 339.443 2.366 40 0 EEABHN C[C@@H](NCc1cc(=O)n2ccsc2n1)[C@@H]1COc2ccccc21 ZINC000185631919 463852560 /nfs/dbraw/zinc/85/25/60/463852560.db2.gz FLNGTJGLSLPZKJ-RISCZKNCSA-N 0 3 327.409 2.410 40 0 EEABHN C[C@@H]1CCCC[C@@H]1NCC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000195567052 464079356 /nfs/dbraw/zinc/07/93/56/464079356.db2.gz YEGMZXKKVARGCQ-RISCZKNCSA-N 0 3 342.436 2.336 40 0 EEABHN CCN1CCCC[C@@H]1CNC(=O)c1ccccc1S[C@H](C)C(N)=O ZINC000240555637 464448296 /nfs/dbraw/zinc/44/82/96/464448296.db2.gz GWUFHWLILHWLEH-ZIAGYGMSSA-N 0 3 349.500 2.257 40 0 EEABHN O=C(NCC[C@H]1Cn2nccc2CN(C2CCC2)C1)c1ccco1 ZINC000247500621 464686359 /nfs/dbraw/zinc/68/63/59/464686359.db2.gz PUEIOFISLFSBEN-CQSZACIVSA-N 0 3 328.416 2.281 40 0 EEABHN CCS[C@@H]1CCCC[C@H]1N[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000249296885 464860557 /nfs/dbraw/zinc/86/05/57/464860557.db2.gz NBKRLTLEDAZVTE-QLFBSQMISA-N 0 3 336.505 2.488 40 0 EEABHN CCN1CC[C@@]2(C1)CN(Cc1ccco1)Cc1cnc(N(C)C)nc12 ZINC000306140619 466493527 /nfs/dbraw/zinc/49/35/27/466493527.db2.gz UZATXURRXWZPNJ-LJQANCHMSA-N 0 3 341.459 2.115 40 0 EEABHN CC(C)CCN1CCC[C@]2(CC(C(=O)NCC(F)(F)F)=NO2)C1 ZINC000585101202 468969351 /nfs/dbraw/zinc/96/93/51/468969351.db2.gz NNHBCOHIMHFAFI-AWEZNQCLSA-N 0 3 335.370 2.322 40 0 EEABHN O=C(COc1ccccc1)N1CCN(C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000169293486 534634773 /nfs/dbraw/zinc/63/47/73/534634773.db2.gz UURGQMGVBGIYKK-RCCFBDPRSA-N 0 3 326.440 2.422 40 0 EEABHN C[C@@H](SCc1ccccc1)C(=O)NCCCN1CCN(C)CC1 ZINC000022934659 212337336 /nfs/dbraw/zinc/33/73/36/212337336.db2.gz JHQHMAZAGZULNL-MRXNPFEDSA-N 0 3 335.517 2.062 40 0 EEABHN CC(=O)N[C@]12CN(C(C)C)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257204446 244129732 /nfs/dbraw/zinc/12/97/32/244129732.db2.gz AUQRBCNPDORIEI-VAMGGRTRSA-N 0 3 343.471 2.195 40 0 EEABHN COc1ncc(C2(O)CCN(CCc3ccccc3)CC2)c(OC)n1 ZINC000019594846 212049992 /nfs/dbraw/zinc/04/99/92/212049992.db2.gz BVWKJVMSYHRQNH-UHFFFAOYSA-N 0 3 343.427 2.020 40 0 EEABHN Cc1cc(C)n(CC(=O)Nc2cccc(CN3CCCC3)c2)c(=O)n1 ZINC000019572426 212045432 /nfs/dbraw/zinc/04/54/32/212045432.db2.gz QNVJHDWPNPJIHT-UHFFFAOYSA-N 0 3 340.427 2.095 40 0 EEABHN O=c1cc([C@@H]2CC[N@@H+](Cc3cccc(F)c3)C2)nc(N2CCCC2)[n-]1 ZINC000019293783 212012576 /nfs/dbraw/zinc/01/25/76/212012576.db2.gz PHFQPULRHZUSTA-OAHLLOKOSA-N 0 3 342.418 2.499 40 0 EEABHN O=c1cc([C@@H]2CC[N@H+](Cc3cccc(F)c3)C2)nc(N2CCCC2)[n-]1 ZINC000019293783 212012578 /nfs/dbraw/zinc/01/25/78/212012578.db2.gz PHFQPULRHZUSTA-OAHLLOKOSA-N 0 3 342.418 2.499 40 0 EEABHN Cc1ccc2c(c1)CN(C(=O)[C@H]1CCCO1)CC1(CCN(C)CC1)O2 ZINC000012365216 211357445 /nfs/dbraw/zinc/35/74/45/211357445.db2.gz AZWSRACEAKVFHH-GOSISDBHSA-N 0 3 344.455 2.359 40 0 EEABHN CCOc1cc(CN[C@@H]2COC[C@H]2Cc2cc(C)no2)ccc1O ZINC000012366570 211357278 /nfs/dbraw/zinc/35/72/78/211357278.db2.gz DSJBAYJTHCQFHS-GDBMZVCRSA-N 0 3 332.400 2.435 40 0 EEABHN CC[C@H](CN1CCCCC1)NC(=O)Cc1ccc2c(c1)OCCO2 ZINC000012239777 211327788 /nfs/dbraw/zinc/32/77/88/211327788.db2.gz PIEULNKFBZCDAA-MRXNPFEDSA-N 0 3 332.444 2.381 40 0 EEABHN CN(C)C[C@@H]1CSCCCN1C(=O)Cc1noc2ccccc21 ZINC000090699692 462807813 /nfs/dbraw/zinc/80/78/13/462807813.db2.gz XVYLFGQXKUEAPV-CYBMUJFWSA-N 0 3 333.457 2.266 40 0 EEABHN CCN1CC[C@@H](c2cc(C(=O)NCc3ccccc3OC)[nH]n2)C1 ZINC000019707778 463021141 /nfs/dbraw/zinc/02/11/41/463021141.db2.gz VOFKZYBVKQFJCS-CQSZACIVSA-N 0 3 328.416 2.158 40 0 EEABHN O=C1N(Cc2ccccn2)CCC12CCN(Cc1ccncc1)CC2 ZINC000096046903 463150420 /nfs/dbraw/zinc/15/04/20/463150420.db2.gz AYXVKECKELOFDV-UHFFFAOYSA-N 0 3 336.439 2.491 40 0 EEABHN c1cc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3CC2CCOCC2)ccn1 ZINC000096058007 463160607 /nfs/dbraw/zinc/16/06/07/463160607.db2.gz KSDKBULUIDSIFV-IPMKNSEASA-N 0 3 332.444 2.257 40 0 EEABHN O=C(c1cccc(O)c1)N1CCC2(CC1)COCCN2CC1CC1 ZINC000096074642 463166755 /nfs/dbraw/zinc/16/67/55/463166755.db2.gz IRNZRQZMTGCPAQ-UHFFFAOYSA-N 0 3 330.428 2.109 40 0 EEABHN COc1ccc(CN2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)cc1 ZINC000096208502 463211592 /nfs/dbraw/zinc/21/15/92/463211592.db2.gz FBBFKJTUJUBZHD-XLIONFOSSA-N 0 3 344.455 2.060 40 0 EEABHN O=C1N(c2cccnc2)CC[C@@]12CCCN(CC1CCOCC1)C2 ZINC000096224503 463218812 /nfs/dbraw/zinc/21/88/12/463218812.db2.gz CDJYOEUBFLWQJN-LJQANCHMSA-N 0 3 329.444 2.327 40 0 EEABHN c1cncc(NC[C@@H]2CC[C@@H]3[C@@H]2OCCN3CC2CCOCC2)c1 ZINC000096250144 463226416 /nfs/dbraw/zinc/22/64/16/463226416.db2.gz RHBLTLZYACKDMN-QXAKKESOSA-N 0 3 331.460 2.400 40 0 EEABHN CN(C[C@H]1CCN(C)C1)C(=O)c1cccc(OCC(F)(F)F)n1 ZINC000096417005 463249336 /nfs/dbraw/zinc/24/93/36/463249336.db2.gz PTVICFXBSGQCPO-NSHDSACASA-N 0 3 331.338 2.046 40 0 EEABHN CCCCN(CCCC)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000029853637 463275857 /nfs/dbraw/zinc/27/58/57/463275857.db2.gz RVCOBDITPKPIED-UHFFFAOYSA-N 0 3 341.477 2.175 40 0 EEABHN CN(C(=O)c1ccc(NC(=O)c2ccon2)cc1)[C@@H]1CCCN(C)C1 ZINC000151765938 463587326 /nfs/dbraw/zinc/58/73/26/463587326.db2.gz VNVVIXRPOYCRNT-OAHLLOKOSA-N 0 3 342.399 2.093 40 0 EEABHN CNC(=O)c1cccc(C[C@H]2COCCN(Cc3cccs3)C2)n1 ZINC000257338283 463784357 /nfs/dbraw/zinc/78/43/57/463784357.db2.gz YWSPCFQGSQVSIS-CQSZACIVSA-N 0 3 345.468 2.194 40 0 EEABHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000195209520 464017729 /nfs/dbraw/zinc/01/77/29/464017729.db2.gz IKXJXECGBMLPKQ-FHLIZLRMSA-N 0 3 348.466 2.007 40 0 EEABHN CC[C@@H]1CN(C(=O)c2ccncc2F)[C@@H](CC)CN1CC(C)(C)O ZINC000225427230 464159763 /nfs/dbraw/zinc/15/97/63/464159763.db2.gz QSLKVQKCUFPYLY-KGLIPLIRSA-N 0 3 337.439 2.307 40 0 EEABHN Cc1occc1C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188113590 464203783 /nfs/dbraw/zinc/20/37/83/464203783.db2.gz XTXCWAOWTQBQMP-LJQANCHMSA-N 0 3 328.412 2.297 40 0 EEABHN O=C1CCCN1C[C@@H]1CO[C@@H]2CN(Cc3cccc4[nH]ccc43)C[C@H]12 ZINC000248012160 464722632 /nfs/dbraw/zinc/72/26/32/464722632.db2.gz VZKILATVRHEDRU-SZVBFZGTSA-N 0 3 339.439 2.237 40 0 EEABHN Cc1ccn(C)c(=O)c1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000249085270 464838090 /nfs/dbraw/zinc/83/80/90/464838090.db2.gz TVLRZIIMRUIOFQ-WBVHZDCISA-N 0 3 340.427 2.261 40 0 EEABHN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)CN)cc1 ZINC000252515968 464978223 /nfs/dbraw/zinc/97/82/23/464978223.db2.gz OZIFQFHUBZQUSV-QRVBRYPASA-N 0 3 344.480 2.153 40 0 EEABHN Cc1cc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)nn1C ZINC000253371006 464994342 /nfs/dbraw/zinc/99/43/42/464994342.db2.gz ZJSZJWAELGMIJM-CJNGLKHVSA-N 0 3 327.432 2.371 40 0 EEABHN COc1ccccc1NC(=O)NCC1CCN([C@H]2CCOC2)CC1 ZINC000575415672 468143306 /nfs/dbraw/zinc/14/33/06/468143306.db2.gz NOEXYTVZZXWMFN-HNNXBMFYSA-N 0 3 333.432 2.318 40 0 EEABHN COc1ccc(C(=O)NCC2CCN([C@H]3CCOC3)CC2)cc1F ZINC000575415637 468143909 /nfs/dbraw/zinc/14/39/09/468143909.db2.gz KPOWNCZFBXSFBG-HNNXBMFYSA-N 0 3 336.407 2.065 40 0 EEABHN CC[NH+](CC)C[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21 ZINC000585095131 468964633 /nfs/dbraw/zinc/96/46/33/468964633.db2.gz BLURHVFCOKEWFK-INIZCTEOSA-N 0 3 328.416 2.128 40 0 EEABHN COc1ccc(C(=O)N2Cc3ccnn3CC[C@H]2CN(C)C)cc1F ZINC000585097468 468965155 /nfs/dbraw/zinc/96/51/55/468965155.db2.gz LZSRGAOPJKIMJO-AWEZNQCLSA-N 0 3 346.406 2.007 40 0 EEABHN Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@H]1CN1CCCCC1 ZINC000585098444 468967282 /nfs/dbraw/zinc/96/72/82/468967282.db2.gz YSMOGVUGWOJMHN-HNNXBMFYSA-N 0 3 343.431 2.080 40 0 EEABHN COC[C@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218559199 536679864 /nfs/dbraw/zinc/67/98/64/536679864.db2.gz QOLBHTYYYIAOBA-FGTMMUONSA-N 0 3 349.427 2.357 40 0 EEABHN O=C([C@H]1COC[C@H]2CN(Cc3cccc(F)c3)C[C@H]21)N1CCCCO1 ZINC000097953543 219064206 /nfs/dbraw/zinc/06/42/06/219064206.db2.gz CSXGDTXTQLUGPC-NXHRZFHOSA-N 0 3 348.418 2.074 40 0 EEABHN COc1cccc(-c2noc([C@H]3CCN(Cc4cnn(C)c4)C3)n2)c1 ZINC000072369907 216177765 /nfs/dbraw/zinc/17/77/65/216177765.db2.gz JAKQFGGYFPSSSR-HNNXBMFYSA-N 0 3 339.399 2.468 40 0 EEABHN CC1(c2n[nH]cc2C(N)=O)CCN(CCc2ccc(F)cc2)CC1 ZINC000072388924 216189921 /nfs/dbraw/zinc/18/99/21/216189921.db2.gz VNTOUCNXTNTAKM-UHFFFAOYSA-N 0 3 330.407 2.244 40 0 EEABHN CCOC[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)CC ZINC000218487883 241327304 /nfs/dbraw/zinc/32/73/04/241327304.db2.gz NSQPMHFRCVFZSJ-QLFBSQMISA-N 0 3 331.865 2.222 40 0 EEABHN COc1cccc(CN2CCC3(CN(C(C)=O)[C@@](C)(CO)C3)CC2)c1 ZINC000257249808 244265073 /nfs/dbraw/zinc/26/50/73/244265073.db2.gz JJVPXVJYIXUESY-LJQANCHMSA-N 0 3 346.471 2.281 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000079428180 217223375 /nfs/dbraw/zinc/22/33/75/217223375.db2.gz UTMGZWNCSDZZBZ-SJORKVTESA-N 0 3 347.459 2.135 40 0 EEABHN CC[C@@H](CN1CCCCC1)NC(=O)Cc1ccc2c(c1)OCCO2 ZINC000012239773 211328114 /nfs/dbraw/zinc/32/81/14/211328114.db2.gz PIEULNKFBZCDAA-INIZCTEOSA-N 0 3 332.444 2.381 40 0 EEABHN CCN(CCNC(=O)c1nnn(-c2ccccc2)c1C1CC1)C1CC1 ZINC000095393033 218325462 /nfs/dbraw/zinc/32/54/62/218325462.db2.gz JYAIXENLNLKCBI-UHFFFAOYSA-N 0 3 339.443 2.359 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000079410112 280272263 /nfs/dbraw/zinc/27/22/63/280272263.db2.gz QBHXRFUKSHWCLL-KBPBESRZSA-N 0 3 327.469 2.075 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CCC[C@@H](N(C(=O)OC(C)(C)C)C2CC2)C1 ZINC000079427497 280272373 /nfs/dbraw/zinc/27/23/73/280272373.db2.gz WTGIZGHNKKEZIR-CABCVRRESA-N 0 3 339.480 2.360 40 0 EEABHN O=S1(=O)CCC[C@@H](NC[C@H]2CCCN2CC2CCCCC2)C1 ZINC000182921627 323392507 /nfs/dbraw/zinc/39/25/07/323392507.db2.gz AVDSEJIAOGQUCC-IAGOWNOFSA-N 0 3 328.522 2.198 40 0 EEABHN CS(=O)(=O)N1CCC[C@@H]1CN[C@H]1CCSc2ccc(F)cc21 ZINC000090799495 462811000 /nfs/dbraw/zinc/81/10/00/462811000.db2.gz RKYLDNJKUPVEGE-OCCSQVGLSA-N 0 3 344.477 2.376 40 0 EEABHN C[C@H](c1ccccc1)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000076198913 462820909 /nfs/dbraw/zinc/82/09/09/462820909.db2.gz NLRBQVDJJYKSLN-OAHLLOKOSA-N 0 3 345.468 2.217 40 0 EEABHN CCOC(=O)C[C@H](N)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000012648434 462861620 /nfs/dbraw/zinc/86/16/20/462861620.db2.gz LMHWUCOFJHJIFA-HOTGVXAUSA-N 0 3 334.416 2.458 40 0 EEABHN C[C@@H](NC(C)(C)CNC(=O)C(=O)Nc1cccnc1)c1ccccc1 ZINC000077838139 463059607 /nfs/dbraw/zinc/05/96/07/463059607.db2.gz XVHMWDSCHZAWIG-CQSZACIVSA-N 0 3 340.427 2.266 40 0 EEABHN Cc1noc(C[C@@H]2COC[C@H]3CN(Cc4scnc4C)C[C@H]32)n1 ZINC000096040851 463145462 /nfs/dbraw/zinc/14/54/62/463145462.db2.gz CXLZRBTUEPIUNK-MCIONIFRSA-N 0 3 334.445 2.080 40 0 EEABHN O=C([C@H]1CC=CCC1)N1CCO[C@H]2[C@H](OCCN3CCCC3)CC[C@@H]21 ZINC000096041634 463146230 /nfs/dbraw/zinc/14/62/30/463146230.db2.gz QSLSMGKNIIOPMV-INDMIFKZSA-N 0 3 348.487 2.214 40 0 EEABHN CN(C)CCOC[C@H]1Cn2ccnc2CN(Cc2ccsc2)C1 ZINC000096044172 463149297 /nfs/dbraw/zinc/14/92/97/463149297.db2.gz ASVDELYSUWUQQS-MRXNPFEDSA-N 0 3 334.489 2.155 40 0 EEABHN c1ccc(CN2CCC3(CC2)CN(Cc2cccnc2)CCO3)nc1 ZINC000096048936 463153523 /nfs/dbraw/zinc/15/35/23/463153523.db2.gz BJUVAUPWSVHAOH-UHFFFAOYSA-N 0 3 338.455 2.344 40 0 EEABHN CCS(=O)(=O)N1CCC2(CC[C@@H]2N(C)Cc2ccco2)CC1 ZINC000096051602 463154846 /nfs/dbraw/zinc/15/48/46/463154846.db2.gz CSRAQTDCMAIDGB-HNNXBMFYSA-N 0 3 326.462 2.306 40 0 EEABHN CCOC[C@H]1CN(CCN2CCCC2)Cc2cnn(CC3CC3)c21 ZINC000096068337 463165780 /nfs/dbraw/zinc/16/57/80/463165780.db2.gz CFWXTZTXBRQTTQ-GOSISDBHSA-N 0 3 332.492 2.325 40 0 EEABHN Cc1cc(CN2CCC3(CC2)NC(=O)C[C@@H]3c2cnn(C)c2)oc1C ZINC000096199818 463206263 /nfs/dbraw/zinc/20/62/63/463206263.db2.gz DRIGRYFHAPNHPL-QGZVFWFLSA-N 0 3 342.443 2.268 40 0 EEABHN COC[C@@H]1C(=O)N(CC2CC2)CC12CCN(Cc1ccco1)CC2 ZINC000096205802 463208737 /nfs/dbraw/zinc/20/87/37/463208737.db2.gz DNAZISSACUXRGU-QGZVFWFLSA-N 0 3 332.444 2.377 40 0 EEABHN Cc1cccnc1[C@H](NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C(C)C ZINC000096406857 463240240 /nfs/dbraw/zinc/24/02/40/463240240.db2.gz CMHAJPQCARIRKD-BRWVUGGUSA-N 0 3 346.475 2.250 40 0 EEABHN Cc1cc(C)c(CNCc2cnc(N3CCN(C)CC3)nc2)c(C)c1 ZINC000096474687 463280026 /nfs/dbraw/zinc/28/00/26/463280026.db2.gz LWIFYBHJRJZSOZ-UHFFFAOYSA-N 0 3 339.487 2.443 40 0 EEABHN Nc1nc(N2CC[C@H](OCCN3CCCCC3)C2)nc2ccccc12 ZINC000096486688 463285089 /nfs/dbraw/zinc/28/50/89/463285089.db2.gz AHOZQIOAKJGEKR-HNNXBMFYSA-N 0 3 341.459 2.293 40 0 EEABHN CCNC(=O)N1CC[C@@H](N[C@@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000096490330 463286955 /nfs/dbraw/zinc/28/69/55/463286955.db2.gz IUJULEMPNGOJFJ-MAUKXSAKSA-N 0 3 341.459 2.386 40 0 EEABHN Cn1nccc1CCN[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000097095015 463321740 /nfs/dbraw/zinc/32/17/40/463321740.db2.gz PDOJJPDFBZHFPG-ZWKOTPCHSA-N 0 3 348.878 2.278 40 0 EEABHN CNC(=O)c1c[nH]nc1[C@H]1CCN(Cc2cccc(C)c2OC)C1 ZINC000257323835 463777916 /nfs/dbraw/zinc/77/79/16/463777916.db2.gz WMALAJAPYGBCJV-ZDUSSCGKSA-N 0 3 328.416 2.076 40 0 EEABHN CNc1cc(C)nc([C@H]2CN(C(=O)CCc3cccnc3)CCO2)c1 ZINC000257330474 463781578 /nfs/dbraw/zinc/78/15/78/463781578.db2.gz XOPCPZKBUVGKGU-GOSISDBHSA-N 0 3 340.427 2.359 40 0 EEABHN CN(C)c1cnnc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000224311469 464151636 /nfs/dbraw/zinc/15/16/36/464151636.db2.gz UWBLXSCDDRYXAW-UHFFFAOYSA-N 0 3 344.394 2.036 40 0 EEABHN CCN(CCCN[C@@H]1CCCOc2cc(F)ccc21)S(C)(=O)=O ZINC000181975165 464543850 /nfs/dbraw/zinc/54/38/50/464543850.db2.gz YJGNIKNGYBQCTL-OAHLLOKOSA-N 0 3 344.452 2.301 40 0 EEABHN CN1CCC(Cc2ccccc2F)(C(=O)N2CCC(CO)CC2)CC1 ZINC000585182354 468995534 /nfs/dbraw/zinc/99/55/34/468995534.db2.gz AENRDUKVXLXPOY-UHFFFAOYSA-N 0 3 348.462 2.311 40 0 EEABHN Cn1nccc1CNC[C@H]1CC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O ZINC000585285472 469008253 /nfs/dbraw/zinc/00/82/53/469008253.db2.gz DOYPPPNWCILJOM-CSMYWGQOSA-N 0 3 335.835 2.382 40 0 EEABHN Cc1noc(C)c1Cc1ccc(C(=O)N2CCN3CCC[C@H]3C2)o1 ZINC000028242916 1352374133 /nfs/dbraw/zinc/37/41/33/1352374133.db2.gz BKZAOFSGLKNCBR-AWEZNQCLSA-N 0 3 329.400 2.395 40 0 EEABHN C[C@@H]1C[C@H](C)CN(CCCNC2=NS(=O)(=O)c3ccccc32)C1 ZINC000040149913 213273317 /nfs/dbraw/zinc/27/33/17/213273317.db2.gz OEENZCBQMLGFFB-OKILXGFUSA-N 0 3 335.473 2.093 40 0 EEABHN CNc1cc(C)nc([C@H]2CCN(C(=O)c3cccnc3OC)C2)c1 ZINC000257273419 244386707 /nfs/dbraw/zinc/38/67/07/244386707.db2.gz NGMKTERIPXGXNQ-ZDUSSCGKSA-N 0 3 326.400 2.465 40 0 EEABHN CN(CCN1CCCCC1)C(=O)Cn1ccnc1-c1ccccc1 ZINC000019717599 212057109 /nfs/dbraw/zinc/05/71/09/212057109.db2.gz QYTVHSFUIQDPKQ-UHFFFAOYSA-N 0 3 326.444 2.494 40 0 EEABHN C[C@H](N)C(=O)N(C)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079393100 217218585 /nfs/dbraw/zinc/21/85/85/217218585.db2.gz RZYHMOHKUHSHAD-CWRNSKLLSA-N 0 3 333.432 2.030 40 0 EEABHN Cc1ccc(CN(CCN(C)C)C(=O)c2nnc3ccccc3n2)o1 ZINC000280764963 464249661 /nfs/dbraw/zinc/24/96/61/464249661.db2.gz BHVZCAPLIQKFRC-UHFFFAOYSA-N 0 3 339.399 2.130 40 0 EEABHN COc1ccccc1O[C@@H](C)CNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000074822712 462639270 /nfs/dbraw/zinc/63/92/70/462639270.db2.gz CCBZXXSGFMMHIB-LSDHHAIUSA-N 0 3 335.448 2.198 40 0 EEABHN O=C(Nc1cnn(CCN2CCCCC2)c1)[C@@H](O)c1ccccc1 ZINC000089433120 462681626 /nfs/dbraw/zinc/68/16/26/462681626.db2.gz KJJIACISDFXELY-KRWDZBQOSA-N 0 3 328.416 2.041 40 0 EEABHN Cc1ccc([C@@H]2[C@@H](C)CCCN2C[C@H](O)CN2C(=O)CCC2=O)cc1 ZINC000095399536 463075788 /nfs/dbraw/zinc/07/57/88/463075788.db2.gz DRYPEEUKLBVCJN-KNBMTAEXSA-N 0 3 344.455 2.278 40 0 EEABHN O=C([C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@H]2O1)N1CCCC1 ZINC000096042710 463147474 /nfs/dbraw/zinc/14/74/74/463147474.db2.gz QPQUSAHSKCRAJN-IPMKNSEASA-N 0 3 328.456 2.331 40 0 EEABHN c1ccc(O[C@H]2CC[C@H]3[C@H]2OCCN3CCN2CCCCC2)nc1 ZINC000096042298 463147704 /nfs/dbraw/zinc/14/77/04/463147704.db2.gz CHJUUCWKSAFJBM-JENIJYKNSA-N 0 3 331.460 2.178 40 0 EEABHN Cc1noc(C)c1CN1C[C@]2(CCN(Cc3cccnc3)C2)CC1=O ZINC000096050955 463154909 /nfs/dbraw/zinc/15/49/09/463154909.db2.gz CGUNTUJOOKOECM-LJQANCHMSA-N 0 3 340.427 2.311 40 0 EEABHN Cc1ccc(CN2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)o1 ZINC000096055036 463155853 /nfs/dbraw/zinc/15/58/53/463155853.db2.gz OFMSMMDLIZTAPY-IEBWSBKVSA-N 0 3 327.428 2.458 40 0 EEABHN O=C1CCCN1[C@@H]1CN(Cc2ccc(F)cc2)C[C@@H]2CCCO[C@H]12 ZINC000096057106 463157588 /nfs/dbraw/zinc/15/75/88/463157588.db2.gz HKSRUAZENYGZHL-WDYCEAGBSA-N 0 3 332.419 2.428 40 0 EEABHN CCn1nnc2c1[C@H](COCCN(C)C)CN(Cc1cccs1)C2 ZINC000096060853 463161200 /nfs/dbraw/zinc/16/12/00/463161200.db2.gz CJYKKCVKOMFZQN-AWEZNQCLSA-N 0 3 349.504 2.037 40 0 EEABHN O=C([C@@H]1CCCO1)N1CCC[C@]2(CCCN2Cc2cccnc2)C1 ZINC000096071481 463165799 /nfs/dbraw/zinc/16/57/99/463165799.db2.gz YYIJXDFCNSPPBH-HKUYNNGSSA-N 0 3 329.444 2.218 40 0 EEABHN Cn1cncc1CN1CCC2(C[C@H](OCc3cccnc3)CO2)CC1 ZINC000096073160 463166894 /nfs/dbraw/zinc/16/68/94/463166894.db2.gz JHBNSTQIEUPLGG-SFHVURJKSA-N 0 3 342.443 2.155 40 0 EEABHN Cc1ccc(N2CCC3(CCCN3Cc3cnn(C)c3)CC2)nn1 ZINC000096075339 463169322 /nfs/dbraw/zinc/16/93/22/463169322.db2.gz GDPZVFVPADVRHB-UHFFFAOYSA-N 0 3 326.448 2.154 40 0 EEABHN CC(C)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2c2nccs2)C1 ZINC000096185664 463196797 /nfs/dbraw/zinc/19/67/97/463196797.db2.gz BCOBOECHYTWNJW-ILXRZTDVSA-N 0 3 332.477 2.112 40 0 EEABHN O=C(c1ccco1)N1CC[C@@H]2O[C@@H](COCCN3CCCC3)CC[C@@H]21 ZINC000096186704 463199136 /nfs/dbraw/zinc/19/91/36/463199136.db2.gz KHFGQAHDDSUPOT-IKGGRYGDSA-N 0 3 348.443 2.154 40 0 EEABHN Cn1ccnc1CN1CCOC[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096202171 463206760 /nfs/dbraw/zinc/20/67/60/463206760.db2.gz FWUROYMYZWNWNY-SFHVURJKSA-N 0 3 346.500 2.206 40 0 EEABHN C[C@@H](O)CN(Cc1ccccc1)Cc1ccc(NS(C)(=O)=O)cc1 ZINC000096421173 463253128 /nfs/dbraw/zinc/25/31/28/463253128.db2.gz YKDAMSDOIAGGSR-OAHLLOKOSA-N 0 3 348.468 2.441 40 0 EEABHN CN(Cc1cc(=O)c(O)co1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000096441738 463267456 /nfs/dbraw/zinc/26/74/56/463267456.db2.gz PLKBQBDPHNGZHU-INIZCTEOSA-N 0 3 328.412 2.299 40 0 EEABHN C[C@H](CCOc1ccccc1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000096443662 463268967 /nfs/dbraw/zinc/26/89/67/463268967.db2.gz RIZOEPADMNXWFF-JFIYKMOQSA-N 0 3 332.444 2.071 40 0 EEABHN CCN1CCN([C@@H](C)CNc2cncc(Br)c2)CC1 ZINC000096453484 463274363 /nfs/dbraw/zinc/27/43/63/463274363.db2.gz DTVIVTNJOHEKJV-LBPRGKRZSA-N 0 3 327.270 2.282 40 0 EEABHN Fc1cnc(N[C@H]2CO[C@@]3(CCN(Cc4ccccc4)C3)C2)nc1 ZINC000107226582 463563061 /nfs/dbraw/zinc/56/30/61/463563061.db2.gz ICMVJZKGICGCLS-AEFFLSMTSA-N 0 3 328.391 2.461 40 0 EEABHN Cc1cccnc1CN1CC[C@]2(CCC[C@H]2C(=O)N2CCOCC2)C1 ZINC000108533046 463610218 /nfs/dbraw/zinc/61/02/18/463610218.db2.gz IDZFLUCOZYJSLO-FXAWDEMLSA-N 0 3 343.471 2.241 40 0 EEABHN CNc1cc(C)nc([C@@H]2CN(C(=O)CN(C)C3CCCC3)CCO2)c1 ZINC000257332813 463781459 /nfs/dbraw/zinc/78/14/59/463781459.db2.gz XYUCVWVOIGMSLT-SFHVURJKSA-N 0 3 346.475 2.206 40 0 EEABHN Cn1ccnc1-c1cc(C[C@@H]2CCN(Cc3cccnc3)C2)ncn1 ZINC000257334163 463781986 /nfs/dbraw/zinc/78/19/86/463781986.db2.gz YEUJWKAPXFXYMA-HNNXBMFYSA-N 0 3 334.427 2.337 40 0 EEABHN COC(=O)c1cc(Cl)cc(NC(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000172427793 464078289 /nfs/dbraw/zinc/07/82/89/464078289.db2.gz MOWYZBXKOZZJCR-CQSZACIVSA-N 0 3 337.807 2.439 40 0 EEABHN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)[nH]1 ZINC000223289711 464140659 /nfs/dbraw/zinc/14/06/59/464140659.db2.gz JMVOIJWCENWZPK-CVEARBPZSA-N 0 3 329.473 2.252 40 0 EEABHN COc1ccc(S(=O)(=O)NCCCN2CCCC2)c(C)c1C ZINC000225118692 464152412 /nfs/dbraw/zinc/15/24/12/464152412.db2.gz LKRMRMIUPSRPMP-UHFFFAOYSA-N 0 3 326.462 2.076 40 0 EEABHN C[C@H]1CN(c2ccc(Br)cn2)CCN1CC(C)(C)O ZINC000275563097 464779538 /nfs/dbraw/zinc/77/95/38/464779538.db2.gz ORFMONLKRNTBAP-NSHDSACASA-N 0 3 328.254 2.126 40 0 EEABHN COCc1noc(CN2CCN(C[C@H]3C(C)=CCC[C@@H]3C)CC2)n1 ZINC000191133735 464782334 /nfs/dbraw/zinc/78/23/34/464782334.db2.gz KOMBCTYHOQQWLO-HOTGVXAUSA-N 0 3 334.464 2.326 40 0 EEABHN CCS[C@@H]1CCCC[C@@H]1N[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000249296886 464860712 /nfs/dbraw/zinc/86/07/12/464860712.db2.gz NBKRLTLEDAZVTE-SOUVJXGZSA-N 0 3 336.505 2.488 40 0 EEABHN CC[C@H](N[C@H]1CCCc2c(OC)cccc21)C(=O)N1CCOCC1 ZINC000194910292 535945889 /nfs/dbraw/zinc/94/58/89/535945889.db2.gz YNVVICJVJRXOQX-IRXDYDNUSA-N 0 3 332.444 2.300 40 0 EEABHN Cc1nc2ccccn2c1CNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000895627900 684668688 /nfs/dbraw/zinc/66/86/88/684668688.db2.gz SOGPMGOKITXLOO-AWEZNQCLSA-N 0 3 329.448 2.315 40 0 EEABHN CCOc1ccc(CN2CCC(C(=O)N[C@H](C)COC)CC2)cc1 ZINC000199403208 1406142683 /nfs/dbraw/zinc/14/26/83/1406142683.db2.gz GLXRSRINLXMPKP-OAHLLOKOSA-N 0 3 334.460 2.448 40 0 EEABHN COc1ccc(S(=O)(=O)NCCCN2CCCCCC2)cc1F ZINC000032588491 212813851 /nfs/dbraw/zinc/81/38/51/212813851.db2.gz TUNHOYXJHZKSNQ-UHFFFAOYSA-N 0 3 344.452 2.379 40 0 EEABHN COC(=O)c1ccc([C@@H](N)[C@H](N)c2ccc(OC(C)=O)cc2)cc1 ZINC000022861598 212329453 /nfs/dbraw/zinc/32/94/53/212329453.db2.gz SXLFVIFJZLJYAI-IAGOWNOFSA-N 0 3 328.368 2.098 40 0 EEABHN CN1CCN(CCCNC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000022829311 212326960 /nfs/dbraw/zinc/32/69/60/212326960.db2.gz JWAIETWOLMTMHN-UHFFFAOYSA-N 0 3 330.259 2.361 40 0 EEABHN Fc1ccnc(Nc2nccc([C@H]3CCN(Cc4cnc[nH]4)C3)n2)c1 ZINC000257241532 244245202 /nfs/dbraw/zinc/24/52/02/244245202.db2.gz HYIQJUYOMCHPPJ-LBPRGKRZSA-N 0 3 339.378 2.467 40 0 EEABHN CN1CCc2nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)ncc2C1 ZINC000019590366 212048894 /nfs/dbraw/zinc/04/88/94/212048894.db2.gz RJCSGXMWCSVUQI-OAHLLOKOSA-N 0 3 328.460 2.361 40 0 EEABHN COc1cccc(CN2CCC[C@H](c3nc(C)cc(=O)[nH]3)C2)c1OC ZINC000019117987 212000718 /nfs/dbraw/zinc/00/07/18/212000718.db2.gz VIGNMFUVXADBRD-HNNXBMFYSA-N 0 3 343.427 2.475 40 0 EEABHN Cc1cc(C(=O)NC[C@H](C)CN2CCN(C)CC2)c2ccccc2n1 ZINC000078394489 217046436 /nfs/dbraw/zinc/04/64/36/217046436.db2.gz ZXBZMLVPMFRFAO-HNNXBMFYSA-N 0 3 340.471 2.157 40 0 EEABHN Cc1ncsc1CCN1CCC(NC(=O)C2CCOCC2)CC1 ZINC000095399432 218333110 /nfs/dbraw/zinc/33/31/10/218333110.db2.gz BWPVFZUETUHNAQ-UHFFFAOYSA-N 0 3 337.489 2.001 40 0 EEABHN COc1cccc2c1OC1(CCN(CCO)CC1)[C@H]1CCCO[C@H]21 ZINC000257287388 274154400 /nfs/dbraw/zinc/15/44/00/274154400.db2.gz PPTGVYAZKYOZMH-DOTOQJQBSA-N 0 3 333.428 2.382 40 0 EEABHN Fc1ccc(-c2cc3nc4c(c(N5CCNCC5)n3n2)CCC4)cc1 ZINC000035314337 274910116 /nfs/dbraw/zinc/91/01/16/274910116.db2.gz SKKFBVDAYFSHRQ-UHFFFAOYSA-N 0 3 337.402 2.434 40 0 EEABHN CN(C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)C1=CCCC1)C2 ZINC000096039579 289170738 /nfs/dbraw/zinc/17/07/38/289170738.db2.gz KDXZELRJWQGADC-IEBWSBKVSA-N 0 3 336.476 2.073 40 0 EEABHN O=C(C1CCOCC1)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096053917 463156398 /nfs/dbraw/zinc/15/63/98/463156398.db2.gz GMMVIUXYCQAOSY-IRXDYDNUSA-N 0 3 332.419 2.143 40 0 EEABHN Cc1cccc(CO[C@H]2C[C@@H]3CN(Cc4ccccn4)CCN3C2)n1 ZINC000096055095 463156463 /nfs/dbraw/zinc/15/64/63/463156463.db2.gz QXMPXPYBLMDLPY-UXHICEINSA-N 0 3 338.455 2.260 40 0 EEABHN O=C([C@H]1C[C@H]2OCC[C@H]2N(Cc2cccs2)C1)N1CCCCO1 ZINC000096057669 463160568 /nfs/dbraw/zinc/16/05/68/463160568.db2.gz ZPNUVRFQSLINHT-NUEKZKHPSA-N 0 3 336.457 2.282 40 0 EEABHN Cc1cnc(C(=O)N2C[C@H]3CN(Cc4cccc(F)c4)C[C@H]3C2)cn1 ZINC000096161701 463192023 /nfs/dbraw/zinc/19/20/23/463192023.db2.gz ANWUXGGPAFHGHM-IYBDPMFKSA-N 0 3 340.402 2.128 40 0 EEABHN Cc1cccc(CN2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC000096183403 463195590 /nfs/dbraw/zinc/19/55/90/463195590.db2.gz DOYYNSPSUURTCC-VQTJNVASSA-N 0 3 338.455 2.260 40 0 EEABHN Cc1nc(CN2CCN3C[C@H](OCc4ccccn4)C[C@H]3C2)cs1 ZINC000096183462 463196377 /nfs/dbraw/zinc/19/63/77/463196377.db2.gz RREBUOYBXREEOG-ZWKOTPCHSA-N 0 3 344.484 2.322 40 0 EEABHN Cn1nccc1CCN[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000097095016 463321199 /nfs/dbraw/zinc/32/11/99/463321199.db2.gz PDOJJPDFBZHFPG-MSOLQXFVSA-N 0 3 348.878 2.278 40 0 EEABHN CCc1noc(C2CCC(N[C@@H](C(N)=O)c3ccccc3)CC2)n1 ZINC000097234099 463353015 /nfs/dbraw/zinc/35/30/15/463353015.db2.gz XZXQQOGVQFVANW-ZBCRRDGASA-N 0 3 328.416 2.474 40 0 EEABHN O=C(NC[C@H]1CCCO1)NCC1CCN(Cc2cccs2)CC1 ZINC000057775403 463516817 /nfs/dbraw/zinc/51/68/17/463516817.db2.gz CTRCMVAPKYKBBW-OAHLLOKOSA-N 0 3 337.489 2.438 40 0 EEABHN Cc1cccc(CN2CCC3(CC2)C[C@H](NC(=O)N(C)C)CCO3)n1 ZINC000108527427 463610124 /nfs/dbraw/zinc/61/01/24/463610124.db2.gz BISQZJJAVNHENG-MRXNPFEDSA-N 0 3 346.475 2.175 40 0 EEABHN CN(C)[C@H]1[C@H](NC(=O)OC(C)(C)C)C[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257302442 463768430 /nfs/dbraw/zinc/76/84/30/463768430.db2.gz SCYWBMDSWQULHE-WCVJEAGWSA-N 0 3 336.432 2.022 40 0 EEABHN Cc1noc(C)c1-c1cc([C@H]2CCCN2CCC(N)=O)nc(C)n1 ZINC000257323752 463778509 /nfs/dbraw/zinc/77/85/09/463778509.db2.gz WLRRGHNPTGRUKG-OAHLLOKOSA-N 0 3 329.404 2.069 40 0 EEABHN C[C@H](NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccnn1C ZINC000192887354 465012875 /nfs/dbraw/zinc/01/28/75/465012875.db2.gz QEBWHBMJBWWNFU-IINYFYTJSA-N 0 3 337.807 2.229 40 0 EEABHN CC(C)N(C(=O)[C@H](C)N)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000100178043 219094112 /nfs/dbraw/zinc/09/41/12/219094112.db2.gz UMJWFILEJZYTMM-MELADBBJSA-N 0 3 327.469 2.407 40 0 EEABHN Cc1cc(N(C)C)cc(C2CCN(C(=O)c3ccn(C)n3)CC2)n1 ZINC000072368489 216174996 /nfs/dbraw/zinc/17/49/96/216174996.db2.gz LKMBYHJJXJJCCD-UHFFFAOYSA-N 0 3 327.432 2.209 40 0 EEABHN CNCC(=O)N1CCC[C@@H]1c1cccc(Nc2nc(C)cs2)n1 ZINC000072383009 216183588 /nfs/dbraw/zinc/18/35/88/216183588.db2.gz LCSXMIYKPZNVTM-CYBMUJFWSA-N 0 3 331.445 2.473 40 0 EEABHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@H]2c2ccco2)n1 ZINC000225820532 242051911 /nfs/dbraw/zinc/05/19/11/242051911.db2.gz QPAXMTBDFPZSBD-LBPRGKRZSA-N 0 3 332.408 2.031 40 0 EEABHN CN1C[C@H](C(=O)NC[C@H](c2ccccc2)N2CCCCCC2)CC1=O ZINC000019587381 212049543 /nfs/dbraw/zinc/04/95/43/212049543.db2.gz LZFADVSRVPEBMD-QZTJIDSGSA-N 0 3 343.471 2.198 40 0 EEABHN COc1cc2c(cc1CN(CCN(C)C)Cc1ccncc1)OCO2 ZINC000019582705 212047337 /nfs/dbraw/zinc/04/73/37/212047337.db2.gz JUSSSIIQRQWJJA-UHFFFAOYSA-N 0 3 343.427 2.383 40 0 EEABHN CCOc1cc(C[N@@H+]2CC[C@@H](c3cc(=O)[n-]c(C)n3)C2)ccc1OC ZINC000019531898 212040034 /nfs/dbraw/zinc/04/00/34/212040034.db2.gz ARSGXGNHIKBVST-OAHLLOKOSA-N 0 3 343.427 2.475 40 0 EEABHN CCOc1cc(C[N@H+]2CC[C@@H](c3cc(=O)[n-]c(C)n3)C2)ccc1OC ZINC000019531898 212040037 /nfs/dbraw/zinc/04/00/37/212040037.db2.gz ARSGXGNHIKBVST-OAHLLOKOSA-N 0 3 343.427 2.475 40 0 EEABHN CC(C)N(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[C@H](C)N ZINC000079391304 217218633 /nfs/dbraw/zinc/21/86/33/217218633.db2.gz NNBDYIRKESTIJM-KBPBESRZSA-N 0 3 327.469 2.218 40 0 EEABHN CC(=O)c1cn(CCC(=O)N[C@H]2CCCN(C)C2)c2ccccc12 ZINC000012148349 211308089 /nfs/dbraw/zinc/30/80/89/211308089.db2.gz STWDITPPSSYREO-HNNXBMFYSA-N 0 3 327.428 2.444 40 0 EEABHN C[C@H](c1ccccc1)n1cc(C(=O)NCCN2CCCCCC2)nn1 ZINC000004986244 210350052 /nfs/dbraw/zinc/35/00/52/210350052.db2.gz STDFVMBAVSFHEX-MRXNPFEDSA-N 0 3 341.459 2.493 40 0 EEABHN CCN(C(=O)CNC(=O)OC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000096134047 276061489 /nfs/dbraw/zinc/06/14/89/276061489.db2.gz GVHCMKYDIKPNTF-HOCLYGCPSA-N 0 3 333.432 2.026 40 0 EEABHN CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)CN1CCCCCC1 ZINC000257305133 278018249 /nfs/dbraw/zinc/01/82/49/278018249.db2.gz SONYGHBYCUGUTN-HKUYNNGSSA-N 0 3 335.492 2.254 40 0 EEABHN CC(C)C1CCC(N2CCN(Cc3nnnn3C3CC3)CC2)CC1 ZINC000333276353 312122743 /nfs/dbraw/zinc/12/27/43/312122743.db2.gz IAMLADKJFYPDDF-UHFFFAOYSA-N 0 3 332.496 2.340 40 0 EEABHN c1ccc2c(c1)CCCN2CCN1CCN(C[C@H]2CCOC2)CC1 ZINC000090551869 462796931 /nfs/dbraw/zinc/79/69/31/462796931.db2.gz RBBSXQYVYMKUNG-GOSISDBHSA-N 0 3 329.488 2.093 40 0 EEABHN C[C@H](CNC(=O)Nc1ccc(F)cc1Cl)CN1CCN(C)CC1 ZINC000076330545 462842946 /nfs/dbraw/zinc/84/29/46/462842946.db2.gz HBQDKQUYTALIFC-GFCCVEGCSA-N 0 3 342.846 2.484 40 0 EEABHN COc1ccc([C@H](N)c2nc(CNc3ccccc3)n[nH]2)cc1OC ZINC000095533826 463107550 /nfs/dbraw/zinc/10/75/50/463107550.db2.gz XDEFATUOXZXNAZ-KRWDZBQOSA-N 0 3 339.399 2.482 40 0 EEABHN O=C([C@@H]1CO[C@@H]2CCN(Cc3ccc(F)cc3)C[C@@H]2C1)N1CCCO1 ZINC000096058172 463159641 /nfs/dbraw/zinc/15/96/41/463159641.db2.gz UJYJMTHHGVORLB-XYJFISCASA-N 0 3 348.418 2.217 40 0 EEABHN Cn1cc([C@@H]2CC(=O)N(C)C23CCN(Cc2ccsc2)CC3)cn1 ZINC000096061514 463161104 /nfs/dbraw/zinc/16/11/04/463161104.db2.gz IAGJTQOFBPUUEL-INIZCTEOSA-N 0 3 344.484 2.462 40 0 EEABHN Cn1cc([C@H]2CC(=O)N(C)C23CCN(Cc2ccsc2)CC3)cn1 ZINC000096061515 463161868 /nfs/dbraw/zinc/16/18/68/463161868.db2.gz IAGJTQOFBPUUEL-MRXNPFEDSA-N 0 3 344.484 2.462 40 0 EEABHN COc1ccccc1CN1C[C@@H]2COC[C@]2(CNC(=O)CC2CC2)C1 ZINC000096108426 463177657 /nfs/dbraw/zinc/17/76/57/463177657.db2.gz KAUBAPJOUSKTJP-XLIONFOSSA-N 0 3 344.455 2.060 40 0 EEABHN CN(C)CCOC[C@@H]1Cn2nccc2CN(Cc2ccsc2)C1 ZINC000096188958 463200222 /nfs/dbraw/zinc/20/02/22/463200222.db2.gz TXOBISOSXHUOFJ-INIZCTEOSA-N 0 3 334.489 2.155 40 0 EEABHN Clc1ccc(CN2C[C@@H]3COC[C@]3(CN3CCOCC3)C2)cc1 ZINC000096206837 463208839 /nfs/dbraw/zinc/20/88/39/463208839.db2.gz GSPIAIPQUXXYLZ-AEFFLSMTSA-N 0 3 336.863 2.121 40 0 EEABHN Cc1cccnc1[C@H](NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C(C)C ZINC000096406859 463240803 /nfs/dbraw/zinc/24/08/03/463240803.db2.gz CMHAJPQCARIRKD-IXDOHACOSA-N 0 3 346.475 2.250 40 0 EEABHN Cc1cccnc1CN1CC[C@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000108533049 463610366 /nfs/dbraw/zinc/61/03/66/463610366.db2.gz IDZFLUCOZYJSLO-YLJYHZDGSA-N 0 3 343.471 2.241 40 0 EEABHN CCOC[C@@]1(CN)[C@H](S(=O)(=O)CC)[C@H]1c1ccc(Cl)cc1 ZINC000242575123 464457037 /nfs/dbraw/zinc/45/70/37/464457037.db2.gz NSQPMHFRCVFZSJ-RBSFLKMASA-N 0 3 331.865 2.222 40 0 EEABHN O=C(Cc1cccc(F)c1)N1Cc2cncn2[C@H](CN2CCCC2)C1 ZINC000247882624 464712195 /nfs/dbraw/zinc/71/21/95/464712195.db2.gz WESBZULWEBIVTE-GOSISDBHSA-N 0 3 342.418 2.244 40 0 EEABHN Cc1cc(CN2CC3(C2)C[C@@H](COCC2CC2)CCN3C)n(C)n1 ZINC000247919945 464714726 /nfs/dbraw/zinc/71/47/26/464714726.db2.gz NQJQOUYCSLYXCV-KRWDZBQOSA-N 0 3 332.492 2.051 40 0 EEABHN CN1CCN(CC2CCN(C(=O)NC[C@@H]3CC=CCC3)CC2)CC1 ZINC000192161331 464878482 /nfs/dbraw/zinc/87/84/82/464878482.db2.gz JXTWNVYPEPRQOR-QGZVFWFLSA-N 0 3 334.508 2.012 40 0 EEABHN C[C@@H]1CN(CC2CCN(C(=O)C3SCCS3)CC2)C[C@H](C)O1 ZINC000253416057 465004309 /nfs/dbraw/zinc/00/43/09/465004309.db2.gz SLYLXYAUIVTFLI-BETUJISGSA-N 0 3 344.546 2.140 40 0 EEABHN C[C@@]1(O)CCN[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289279 467941867 /nfs/dbraw/zinc/94/18/67/467941867.db2.gz HGPJUBRGOALGBN-JENIJYKNSA-N 0 3 328.387 2.410 40 0 biogenic,in-vitro EEABHN O=S1(=O)CC[C@@H](NCCNC(c2ccccc2)c2ccccc2)C1 ZINC000575419523 468144028 /nfs/dbraw/zinc/14/40/28/468144028.db2.gz BZKPHFXXEYRXLD-GOSISDBHSA-N 0 3 344.480 2.142 40 0 EEABHN CN(C)CCNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)cn1 ZINC000226751319 535892173 /nfs/dbraw/zinc/89/21/73/535892173.db2.gz ZFYYNDMKLTVAHF-UHFFFAOYSA-N 0 3 326.322 2.183 40 0 EEABHN COC[C@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218037376 536680204 /nfs/dbraw/zinc/68/02/04/536680204.db2.gz YSYLHMUKBHEYIN-FGTMMUONSA-N 0 3 331.437 2.218 40 0 EEABHN NCC(=O)N1CCC[C@@H](c2cncc(Oc3ccccc3F)n2)C1 ZINC000072363200 216169682 /nfs/dbraw/zinc/16/96/82/216169682.db2.gz NNOVEQANPVNEMO-GFCCVEGCSA-N 0 3 330.363 2.073 40 0 EEABHN COc1ccccc1N1CC[C@H](N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1=O ZINC000245316718 243102881 /nfs/dbraw/zinc/10/28/81/243102881.db2.gz KGWKUZQPCWHHKD-GFOFROLCSA-N 0 3 330.428 2.204 40 0 EEABHN c1cncc(NC[C@@H]2CC[C@@H]3[C@H]2OCCN3CC2CCOCC2)c1 ZINC000253479590 244000565 /nfs/dbraw/zinc/00/05/65/244000565.db2.gz RHBLTLZYACKDMN-UHOSZYNNSA-N 0 3 331.460 2.400 40 0 EEABHN CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CCCCN2)n1 ZINC000257260940 244348363 /nfs/dbraw/zinc/34/83/63/244348363.db2.gz LFDTXXDRBSWJGH-OAHLLOKOSA-N 0 3 325.416 2.123 40 0 EEABHN CN1CCC(Cc2ccccc2F)(C(=O)NC2CCOCC2)CC1 ZINC000257262771 244352190 /nfs/dbraw/zinc/35/21/90/244352190.db2.gz LMVOHCSOVGPLSW-UHFFFAOYSA-N 0 3 334.435 2.375 40 0 EEABHN CC(=O)N1[C@H]2CCN(Cc3ccc4[nH]ccc4c3)C[C@@H]2C[C@]1(C)CO ZINC000257277024 244394803 /nfs/dbraw/zinc/39/48/03/244394803.db2.gz NWDGAYAOANKBSH-YSIASYRMSA-N 0 3 341.455 2.362 40 0 EEABHN CCOC(=O)C1=C([O-])NC(N2CCCCC2)=[NH+][C@H]1c1ccccc1C ZINC000010339383 211166898 /nfs/dbraw/zinc/16/68/98/211166898.db2.gz URZFWAUOEZFTID-HOTGVXAUSA-N 0 3 343.427 2.187 40 0 EEABHN COc1cc(NC2CCN(CCn3ccnc3)CC2)cc(OC)c1 ZINC000132042242 533025927 /nfs/dbraw/zinc/02/59/27/533025927.db2.gz NZYZMMLZOWXPKH-UHFFFAOYSA-N 0 3 330.432 2.477 40 0 EEABHN COCCNC(=O)c1ccc(NC[C@H](c2ccccc2)N(C)C)nc1 ZINC000079029350 274036002 /nfs/dbraw/zinc/03/60/02/274036002.db2.gz NJTQRPWRGIIKPF-QGZVFWFLSA-N 0 3 342.443 2.173 40 0 EEABHN CNS(=O)(=O)c1cccc([C@H](C)NCC2(O)CCC(C)CC2)c1 ZINC000096491464 277291526 /nfs/dbraw/zinc/29/15/26/277291526.db2.gz KFNYBLRCJVPCDB-UUCFBXCCSA-N 0 3 340.489 2.187 40 0 EEABHN COc1coc(C(=O)NC[C@H]2CCCN2CC2CCCCC2)cc1=O ZINC000252501024 278077724 /nfs/dbraw/zinc/07/77/24/278077724.db2.gz UBQMFNDRIHAMIA-OAHLLOKOSA-N 0 3 348.443 2.423 40 0 EEABHN O=C([C@@H]1CCO[C@@H]2CCN(Cc3ccc(F)cc3)C[C@H]21)N1CCCO1 ZINC000096043386 463147385 /nfs/dbraw/zinc/14/73/85/463147385.db2.gz QCGLLHWYQFBYJI-FGTMMUONSA-N 0 3 348.418 2.217 40 0 EEABHN Cc1ncsc1CN1CC[C@H]2OCC[C@@H](C(=O)N3CCCC3)[C@H]2C1 ZINC000096043439 463149150 /nfs/dbraw/zinc/14/91/50/463149150.db2.gz OCFSJVLZYRRHLM-BZUAXINKSA-N 0 3 349.500 2.301 40 0 EEABHN O=C(C1CCOCC1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096053918 463157220 /nfs/dbraw/zinc/15/72/20/463157220.db2.gz GMMVIUXYCQAOSY-IAGOWNOFSA-N 0 3 332.419 2.143 40 0 EEABHN COc1ccc(CN2CC[C@H]3CO[C@H](CNC(=O)C4CC4)[C@H]3C2)cc1 ZINC000096056275 463158390 /nfs/dbraw/zinc/15/83/90/463158390.db2.gz AYGBGBJHJKCETQ-YTQUADARSA-N 0 3 344.455 2.058 40 0 EEABHN O=C(NCC1CC1)[C@H]1CCC2(CCN(Cc3ccccn3)CC2)O1 ZINC000096061178 463161779 /nfs/dbraw/zinc/16/17/79/463161779.db2.gz FWAUYIFPYSHIJY-QGZVFWFLSA-N 0 3 329.444 2.121 40 0 EEABHN O=C(c1cccnc1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096161698 463192061 /nfs/dbraw/zinc/19/20/61/463192061.db2.gz UFJFNRKQGJLLCZ-CALCHBBNSA-N 0 3 325.387 2.425 40 0 EEABHN CN(Cc1cccnc1)[C@H]1CCC[C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@@H]21 ZINC000096182950 463194547 /nfs/dbraw/zinc/19/45/47/463194547.db2.gz BFWWQEORTIQACF-YRXWBPOGSA-N 0 3 343.471 2.177 40 0 EEABHN Cc1cc(CN2CC[C@@H]3[C@@H](CN4CCOCC4)OC[C@@H]3C2)oc1C ZINC000096185266 463196445 /nfs/dbraw/zinc/19/64/45/463196445.db2.gz IZXXLIGOLKUHHS-YTQUADARSA-N 0 3 334.460 2.066 40 0 EEABHN Cn1cc(CN2CC[C@H]3OCC[C@@]3(CCNc3ccccn3)C2)cn1 ZINC000096208100 463210262 /nfs/dbraw/zinc/21/02/62/463210262.db2.gz FJOSFNPRDXMBIM-MJGOQNOKSA-N 0 3 341.459 2.298 40 0 EEABHN Cc1ccc(C(=O)N2CCC[C@@]3(C2)COCCN(C(C)C)C3)cn1 ZINC000096228751 463221946 /nfs/dbraw/zinc/22/19/46/463221946.db2.gz FURNQUKTEPDOFX-LJQANCHMSA-N 0 3 331.460 2.353 40 0 EEABHN Cn1cc(CN2C[C@H]3c4ccccc4[C@H](N4CCOCC4)[C@H]3C2)cn1 ZINC000096251705 463226580 /nfs/dbraw/zinc/22/65/80/463226580.db2.gz QQYYTNNKSKTSNE-UFYCRDLUSA-N 0 3 338.455 2.023 40 0 EEABHN O=C([C@H]1CCCN(CCSc2ccccc2)C1)N1CCOCC1 ZINC000096410307 463243963 /nfs/dbraw/zinc/24/39/63/463243963.db2.gz ZXXWVPKQTDPKDH-INIZCTEOSA-N 0 3 334.485 2.350 40 0 EEABHN Cc1cnn(CCN[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c1 ZINC000162117502 463484869 /nfs/dbraw/zinc/48/48/69/463484869.db2.gz ZTPGOMKSGORIMF-OAHLLOKOSA-N 0 3 336.798 2.379 40 0 EEABHN COCCN1CCCC2(CCN(Cc3ncccc3C)CC2)C1=O ZINC000108536269 463612100 /nfs/dbraw/zinc/61/21/00/463612100.db2.gz VWWHILJCYVJOMA-UHFFFAOYSA-N 0 3 331.460 2.241 40 0 EEABHN CC(C(=O)N1CCC[C@@]1(c1ccccc1)C(F)(F)F)S(C)(=O)=O ZINC000195570859 464079130 /nfs/dbraw/zinc/07/91/30/464079130.db2.gz LGLXJHLNSRGHSE-BXUZGUMPSA-N 0 3 349.374 2.500 40 0 EEABHN CC(C)C[C@H](C)CN1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000225626877 464176453 /nfs/dbraw/zinc/17/64/53/464176453.db2.gz XTTCQLAXNWLJRM-OALUTQOASA-N 0 3 325.541 2.395 40 0 EEABHN CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(CN)CO)cc1 ZINC000252514718 464978519 /nfs/dbraw/zinc/97/85/19/464978519.db2.gz CYINEGSJVUKCIV-CEXWTWQISA-N 0 3 345.464 2.126 40 0 EEABHN COc1ccnc(NC2CCN(Cc3ccc(CO)cc3)CC2)n1 ZINC000192872681 465011818 /nfs/dbraw/zinc/01/18/18/465011818.db2.gz FFDPHUBTONLWSG-UHFFFAOYSA-N 0 3 328.416 2.054 40 0 EEABHN Cc1ccc(OCc2nnc3n2CCN(C2CCC2)[C@@H](C)C3)cn1 ZINC000585097550 468965682 /nfs/dbraw/zinc/96/56/82/468965682.db2.gz LQCJCWTZCFVBPR-AWEZNQCLSA-N 0 3 327.432 2.360 40 0 EEABHN Cc1ccc(O)c(CNc2cccc(CN3CCN(C)CC3)c2)n1 ZINC000096446413 534198664 /nfs/dbraw/zinc/19/86/64/534198664.db2.gz LYKXQBPFKUJHPY-UHFFFAOYSA-N 0 3 326.444 2.455 40 0 EEABHN CC(C)CC(=O)N1CC[C@@H](c2nn(CCN(C)C)c3ncccc23)C1 ZINC000019446244 519582569 /nfs/dbraw/zinc/58/25/69/519582569.db2.gz QQOMCNHFDZRDDE-OAHLLOKOSA-N 0 3 343.475 2.355 40 0 EEABHN CC(C(=O)NC(=O)Nc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000194359487 524154001 /nfs/dbraw/zinc/15/40/01/524154001.db2.gz YQCIETLZLRORHB-LBPRGKRZSA-N 0 3 332.381 2.197 40 0 EEABHN COC[C@]1(CN)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218568786 536680355 /nfs/dbraw/zinc/68/03/55/536680355.db2.gz MJFGSCNYKZIVNU-OKZBNKHCSA-N 0 3 349.427 2.357 40 0 EEABHN Cc1nn(C)c2ncc(C(=O)N[C@@H](C)CN3CCC[C@H](C)C3)cc12 ZINC000056240564 282286989 /nfs/dbraw/zinc/28/69/89/282286989.db2.gz VAIBNDWMNNXTFZ-STQMWFEESA-N 0 3 329.448 2.127 40 0 EEABHN CN1CCC(OC(=O)[C@@](O)(c2ccns2)c2ccccc2)CC1 ZINC000002012106 209810730 /nfs/dbraw/zinc/81/07/30/209810730.db2.gz DUBGPZZEEYRMDD-KRWDZBQOSA-N 0 3 332.425 2.016 40 0 EEABHN Cc1ccc(C)c([C@H](O)CN2CCN([C@@H]3CCCN(C)C3)CC2)c1 ZINC000072637016 216285460 /nfs/dbraw/zinc/28/54/60/216285460.db2.gz WDJGIFIVEKNYAT-UYAOXDASSA-N 0 3 331.504 2.049 40 0 EEABHN CN(C)C[C@@H](NC(=O)NCc1ccnn1C)c1ccc(Cl)cc1 ZINC000225788011 242035497 /nfs/dbraw/zinc/03/54/97/242035497.db2.gz LQSXLYFFRUORKS-OAHLLOKOSA-N 0 3 335.839 2.176 40 0 EEABHN NC(=O)c1cnn2c1nccc2C1CCN(Cc2ccccc2)CC1 ZINC000257230208 244211522 /nfs/dbraw/zinc/21/15/22/244211522.db2.gz GBHURKHBOJNNMJ-UHFFFAOYSA-N 0 3 335.411 2.208 40 0 EEABHN c1ccc2c(CN3CCC(c4nnc5n4CCNC5)CC3)ccnc2c1 ZINC000019711259 212057139 /nfs/dbraw/zinc/05/71/39/212057139.db2.gz BGLOQBYAIKIUJS-UHFFFAOYSA-N 0 3 348.454 2.309 40 0 EEABHN CN1CCc2nc(C3CCN(C(=O)[C@@H]4CC45CCC5)CC3)ncc2C1 ZINC000019590657 212049147 /nfs/dbraw/zinc/04/91/47/212049147.db2.gz XAUYPLBPSOMAKW-INIZCTEOSA-N 0 3 340.471 2.361 40 0 EEABHN O=C(COc1ccccc1)N1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019373461 212023721 /nfs/dbraw/zinc/02/37/21/212023721.db2.gz UURGQMGVBGIYKK-FGTMMUONSA-N 0 3 326.440 2.422 40 0 EEABHN C[C@H](N)C(=O)N(C)[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079393102 217218506 /nfs/dbraw/zinc/21/85/06/217218506.db2.gz RZYHMOHKUHSHAD-BPUTZDHNSA-N 0 3 333.432 2.030 40 0 EEABHN O=C(Cc1cc(-c2ccccc2)on1)N[C@@H]1CCN(CC2CC2)C1 ZINC000081366358 217390155 /nfs/dbraw/zinc/39/01/55/217390155.db2.gz SKJXNYHMBJNKQO-MRXNPFEDSA-N 0 3 325.412 2.485 40 0 EEABHN CS(=O)(=O)N1CCC(N[C@H](c2cc(F)ccc2F)C2CC2)CC1 ZINC000095423497 218365731 /nfs/dbraw/zinc/36/57/31/218365731.db2.gz SRARXCRLTOONTE-INIZCTEOSA-N 0 3 344.427 2.430 40 0 EEABHN CSCC[C@@H](N)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000130982480 533603101 /nfs/dbraw/zinc/60/31/01/533603101.db2.gz JJJKLMXAHPPEJF-GFCCVEGCSA-N 0 3 347.937 2.126 40 0 EEABHN CN1CCOC[C@]2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000096228716 277117432 /nfs/dbraw/zinc/11/74/32/277117432.db2.gz YZDWTRRTOZNHMT-LJQANCHMSA-N 0 3 327.428 2.352 40 0 EEABHN Cc1ccc2c(c1)CN(Cc1cnc(C)nc1)[C@H](CN(C)C)CO2 ZINC000019219399 281071763 /nfs/dbraw/zinc/07/17/63/281071763.db2.gz CXVVGSVWNNJSEU-GOSISDBHSA-N 0 3 326.444 2.418 40 0 EEABHN COC[C@]1(CN)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218037520 293287137 /nfs/dbraw/zinc/28/71/37/293287137.db2.gz YSYLHMUKBHEYIN-OKZBNKHCSA-N 0 3 331.437 2.218 40 0 EEABHN Cn1cc(CNC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)cn1 ZINC000097102266 323321350 /nfs/dbraw/zinc/32/13/50/323321350.db2.gz VZGCKLMEWOWJOK-LJQANCHMSA-N 0 3 341.459 2.274 40 0 EEABHN C[C@@H](CNC(=O)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)N(C)C1CC1 ZINC000163141955 463566419 /nfs/dbraw/zinc/56/64/19/463566419.db2.gz IVXXMWAJYCNGAG-JSGCOSHPSA-N 0 3 346.479 2.054 40 0 EEABHN COc1cc(OC)cc(C(=O)N2CCCSC[C@@H]2CN(C)C)c1 ZINC000085473134 462550517 /nfs/dbraw/zinc/55/05/17/462550517.db2.gz KHESZMNTHQRUBO-AWEZNQCLSA-N 0 3 338.473 2.213 40 0 EEABHN C[C@@H](c1ccccc1)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000076198911 462821315 /nfs/dbraw/zinc/82/13/15/462821315.db2.gz NLRBQVDJJYKSLN-HNNXBMFYSA-N 0 3 345.468 2.217 40 0 EEABHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ccc(N2CCCC2)nc1 ZINC000078550196 463126499 /nfs/dbraw/zinc/12/64/99/463126499.db2.gz FFLXPRWTUNDYGS-MRXNPFEDSA-N 0 3 328.460 2.429 40 0 EEABHN COc1ccc(CN2CCO[C@H]3[C@H]2CC[C@H]3COCCN(C)C)cc1 ZINC000096055212 463157819 /nfs/dbraw/zinc/15/78/19/463157819.db2.gz QQGYWMKDZYYSIZ-DFQSSKMNSA-N 0 3 348.487 2.253 40 0 EEABHN c1cncc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3CC2CCOCC2)c1 ZINC000096057994 463159375 /nfs/dbraw/zinc/15/93/75/463159375.db2.gz IXBPGMJNSQMBFB-IPMKNSEASA-N 0 3 332.444 2.257 40 0 EEABHN O=C(NC[C@H]1OC[C@@H]2CCN(Cc3cccs3)C[C@@H]21)c1ccno1 ZINC000096185490 463197530 /nfs/dbraw/zinc/19/75/30/463197530.db2.gz ZVZSYKLLVVXGHJ-DUVNUKRYSA-N 0 3 347.440 2.003 40 0 EEABHN C[C@H]1CN(Cc2cccs2)C[C@@]12COCCN(C(=O)NC1CC1)C2 ZINC000096202403 463207687 /nfs/dbraw/zinc/20/76/87/463207687.db2.gz RSMGHBBBDPOOLJ-KBXCAEBGSA-N 0 3 349.500 2.390 40 0 EEABHN CO[C@@H]1CCN(CC2CCOCC2)[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096206306 463208093 /nfs/dbraw/zinc/20/80/93/463208093.db2.gz CWJVSQSEQZIGOV-IPMKNSEASA-N 0 3 334.460 2.227 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CCC[C@@H]1CN(C)C(=O)OCc1ccccc1 ZINC000079413169 463211848 /nfs/dbraw/zinc/21/18/48/463211848.db2.gz FKTKVKFAIIBOTO-SJORKVTESA-N 0 3 347.459 2.229 40 0 EEABHN Cc1nnc([C@]23COC[C@H]2CN(Cc2ccc4ccccc4n2)C3)o1 ZINC000096208799 463212425 /nfs/dbraw/zinc/21/24/25/463212425.db2.gz WWFFMWWQTAUQLX-DNVCBOLYSA-N 0 3 336.395 2.326 40 0 EEABHN CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1cccc2cccnc21 ZINC000096410741 463243516 /nfs/dbraw/zinc/24/35/16/463243516.db2.gz GROCHNNRLUSVLE-ZDUSSCGKSA-N 0 3 328.416 2.020 40 0 EEABHN Cc1ccc2cccc(NC(=O)C(=O)NC[C@@H](C)N(C)C3CC3)c2n1 ZINC000096410758 463244175 /nfs/dbraw/zinc/24/41/75/463244175.db2.gz JIKKSQDYLNHNFX-CYBMUJFWSA-N 0 3 340.427 2.081 40 0 EEABHN CC[C@H](NC(=O)N[C@H]1CCN(CCOC)C1)c1ccc(F)cc1F ZINC000096415564 463248252 /nfs/dbraw/zinc/24/82/52/463248252.db2.gz ZBDVPTFQVXEGGQ-BBRMVZONSA-N 0 3 341.402 2.436 40 0 EEABHN Cc1ncsc1CN1CCC2(CC(NC(=O)c3cnccn3)C2)C1 ZINC000108526256 463609834 /nfs/dbraw/zinc/60/98/34/463609834.db2.gz RXRYJNYKPJWRJB-UHFFFAOYSA-N 0 3 343.456 2.026 40 0 EEABHN Cc1nc(CN2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)c[nH]1 ZINC000108535442 463612230 /nfs/dbraw/zinc/61/22/30/463612230.db2.gz TXZMXUZIRVXVRD-OAHLLOKOSA-N 0 3 342.447 2.134 40 0 EEABHN Cc1ncc(CN2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)[nH]1 ZINC000108535442 463612234 /nfs/dbraw/zinc/61/22/34/463612234.db2.gz TXZMXUZIRVXVRD-OAHLLOKOSA-N 0 3 342.447 2.134 40 0 EEABHN O=S(=O)(NCC1CCN([C@H]2CCSC2)CC1)c1ccccc1 ZINC000225572230 464172172 /nfs/dbraw/zinc/17/21/72/464172172.db2.gz MPVOJPVPORWTOL-HNNXBMFYSA-N 0 3 340.514 2.182 40 0 EEABHN Cc1ccc(CS(=O)(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c(F)c1 ZINC000239760975 464444179 /nfs/dbraw/zinc/44/41/79/464444179.db2.gz CIXDFWGMKGGEAY-DZGCQCFKSA-N 0 3 328.453 2.378 40 0 EEABHN CCOC[C@]1(CN)[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)CC ZINC000242548055 464457824 /nfs/dbraw/zinc/45/78/24/464457824.db2.gz LAWYZEKVYYRCQP-GVDBMIGSSA-N 0 3 325.474 2.131 40 0 EEABHN O=C1[C@H](N[C@H]2CCO[C@H]2c2ccccc2)CCN1CC(F)(F)F ZINC000191958301 464835967 /nfs/dbraw/zinc/83/59/67/464835967.db2.gz UEPILEYCAJARDD-MJBXVCDLSA-N 0 3 328.334 2.269 40 0 EEABHN C[C@@H](NC(=O)N1CCC(CN2CCN(C)CC2)CC1)c1ccccc1 ZINC000192141560 464872910 /nfs/dbraw/zinc/87/29/10/464872910.db2.gz IOVCVGSLKBFVLG-QGZVFWFLSA-N 0 3 344.503 2.417 40 0 EEABHN CN(C)C(=O)[C@]1(C)CN(C[C@@]2(O)CC[C@H](C(C)(C)C)CC2)CCO1 ZINC000585285300 469008382 /nfs/dbraw/zinc/00/83/82/469008382.db2.gz XHDRRNPJUUZDHH-ZYSHUDEJSA-N 0 3 340.508 2.133 40 0 EEABHN CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2Cc1c(C)noc1C ZINC000585291223 469011800 /nfs/dbraw/zinc/01/18/00/469011800.db2.gz NMIPIDRJNJBYRD-MAUKXSAKSA-N 0 3 335.448 2.330 40 0 EEABHN CN(c1ccccc1)c1ccc(C[C@H]2CCCN(CCO)C2)nn1 ZINC000072387240 216187015 /nfs/dbraw/zinc/18/70/15/216187015.db2.gz AVVLOJBOQAIBID-MRXNPFEDSA-N 0 3 326.444 2.491 40 0 EEABHN COCCNc1ccc(C[C@H]2CCCN(Cc3cccnc3)C2)nn1 ZINC000072387316 216187308 /nfs/dbraw/zinc/18/73/08/216187308.db2.gz JGGKETSGEMYHGR-MRXNPFEDSA-N 0 3 341.459 2.385 40 0 EEABHN O=C(NCCCCN1CCN(c2ccccc2)CC1)N1CCCCO1 ZINC000225788322 242036124 /nfs/dbraw/zinc/03/61/24/242036124.db2.gz IJZBBFROHNFPSO-UHFFFAOYSA-N 0 3 346.475 2.326 40 0 EEABHN Cc1cc(CCC(=O)NCC2(C)COC2)cc([C@@H]2CCCN2C)n1 ZINC000257240484 244242999 /nfs/dbraw/zinc/24/29/99/244242999.db2.gz HTRZMGZPVMPWLN-KRWDZBQOSA-N 0 3 331.460 2.242 40 0 EEABHN O=C(Cc1cnc[nH]1)N1CCC[C@@H]1c1cccc(CN2CCCC2)n1 ZINC000257269437 244369869 /nfs/dbraw/zinc/36/98/69/244369869.db2.gz MPXSRWRDSSGQOL-GOSISDBHSA-N 0 3 339.443 2.307 40 0 EEABHN CCCC(=O)N1CC[C@@H](c2nn(CCN(C)C)c3ncccc23)C1 ZINC000019501086 212033303 /nfs/dbraw/zinc/03/33/03/212033303.db2.gz VKJYMFOYHVUHGW-CQSZACIVSA-N 0 3 329.448 2.109 40 0 EEABHN c1csc(CN2CCC[C@H]2Cn2nnc(-c3ccncc3)n2)c1 ZINC000019343519 212018220 /nfs/dbraw/zinc/01/82/20/212018220.db2.gz OCPWQNSFIYBXPQ-AWEZNQCLSA-N 0 3 326.429 2.461 40 0 EEABHN CNC(=O)[C@H]1CCCN(Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000093360891 218217916 /nfs/dbraw/zinc/21/79/16/218217916.db2.gz QOEADIJYROKDJG-LBPRGKRZSA-N 0 3 328.359 2.255 40 0 EEABHN CNC(=O)[C@H](C)CN(C)Cc1cc(Br)cc2c1OCC2 ZINC000097379077 219019935 /nfs/dbraw/zinc/01/99/35/219019935.db2.gz FVJLMOAOEWCVFL-SNVBAGLBSA-N 0 3 341.249 2.198 40 0 EEABHN CO[C@@H]1CC[C@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000187862064 533436302 /nfs/dbraw/zinc/43/63/02/533436302.db2.gz NULMVCYXICDMKD-ZWKOTPCHSA-N 0 3 331.460 2.471 40 0 EEABHN CCN(C)c1ccccc1NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000096434904 279046605 /nfs/dbraw/zinc/04/66/05/279046605.db2.gz ZZOHRSQHGXSFHO-INIZCTEOSA-N 0 3 347.507 2.148 40 0 EEABHN CC(C)CC(=O)N1CC[C@H](c2nn(CCN(C)C)c3ncccc23)C1 ZINC000019446246 463018359 /nfs/dbraw/zinc/01/83/59/463018359.db2.gz QQOMCNHFDZRDDE-HNNXBMFYSA-N 0 3 343.475 2.355 40 0 EEABHN CN(C)CCOC[C@@H]1CC[C@@H]2[C@@H]1OCCN2Cc1ccc(F)cc1 ZINC000096055208 463156100 /nfs/dbraw/zinc/15/61/00/463156100.db2.gz ZRIRAWQRHWOJEO-QXAKKESOSA-N 0 3 336.451 2.383 40 0 EEABHN O=C(NCC1CC1)[C@@H]1CCC2(CCN(Cc3cccnc3)CC2)O1 ZINC000096061181 463161464 /nfs/dbraw/zinc/16/14/64/463161464.db2.gz QEAFJOVKNDCMKL-KRWDZBQOSA-N 0 3 329.444 2.121 40 0 EEABHN COCCO[C@H]1CCN(Cc2cccs2)[C@H]1Cc1cnn(C)c1 ZINC000096061639 463161977 /nfs/dbraw/zinc/16/19/77/463161977.db2.gz NBFMPWOLLNBZBK-IRXDYDNUSA-N 0 3 335.473 2.330 40 0 EEABHN O=C(N1CCC(F)CC1)[C@@]12CCO[C@@H]1CCN(Cc1ccoc1)C2 ZINC000096064876 463163017 /nfs/dbraw/zinc/16/30/17/463163017.db2.gz KSXBXLUXSBUEEY-SJLPKXTDSA-N 0 3 336.407 2.221 40 0 EEABHN Cc1ccc(O[C@@H]2C[C@H]3CN(Cc4cnn(C)c4)CCN3C2)cc1 ZINC000096063797 463163785 /nfs/dbraw/zinc/16/37/85/463163785.db2.gz OTYZJQVLAVHXKJ-PKOBYXMFSA-N 0 3 326.444 2.066 40 0 EEABHN c1csc(CN2CCOC3(CCN(Cc4ccccn4)CC3)C2)n1 ZINC000096158859 463191227 /nfs/dbraw/zinc/19/12/27/463191227.db2.gz BWGGBOLZGCMNBK-UHFFFAOYSA-N 0 3 344.484 2.405 40 0 EEABHN c1cc(CN2CCC3(CC2)CN(c2ncccn2)CCO3)cs1 ZINC000096159015 463191359 /nfs/dbraw/zinc/19/13/59/463191359.db2.gz VWGCKRGGLJRSHB-UHFFFAOYSA-N 0 3 330.457 2.410 40 0 EEABHN O=C(C[C@]12COC[C@H]1CN(Cc1cccs1)C2)NCc1ccco1 ZINC000096206474 463208725 /nfs/dbraw/zinc/20/87/25/463208725.db2.gz LTUXBLKOHBMLNL-KDOFPFPSSA-N 0 3 346.452 2.496 40 0 EEABHN O=C(C[C@@H]1OC[C@H]2CN(Cc3cccc(F)c3)CC[C@H]21)N1CCCO1 ZINC000096206168 463208771 /nfs/dbraw/zinc/20/87/71/463208771.db2.gz LUZIDHURBBTEFD-NXHRZFHOSA-N 0 3 348.418 2.217 40 0 EEABHN CC(C)N(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)[C@H](C)N ZINC000079391294 463210636 /nfs/dbraw/zinc/21/06/36/463210636.db2.gz PVFWFAOPEOQIMS-KBPBESRZSA-N 0 3 327.469 2.360 40 0 EEABHN Cn1cc(CN2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)cn1 ZINC000096239050 463224948 /nfs/dbraw/zinc/22/49/48/463224948.db2.gz YBVAEPKYCRHYMW-GOSISDBHSA-N 0 3 346.381 2.327 40 0 EEABHN CC(C)CCN1C[C@H]2C[C@H](C(=O)Nc3ccc4c(c3)OCO4)[C@@H](C1)O2 ZINC000096253469 463228306 /nfs/dbraw/zinc/22/83/06/463228306.db2.gz JBPJZTXNQZMRTK-RVKKMQEKSA-N 0 3 346.427 2.489 40 0 EEABHN CN(C)CCn1ccc(NC(=O)N[C@H]2CCc3ccccc3C2)n1 ZINC000096435355 463263601 /nfs/dbraw/zinc/26/36/01/463263601.db2.gz QDNODTULRZUSLJ-INIZCTEOSA-N 0 3 327.432 2.124 40 0 EEABHN Cc1ccc(F)c(N2CCC[C@H](N[C@@H](C)CS(C)(=O)=O)C2)c1 ZINC000096491659 463286558 /nfs/dbraw/zinc/28/65/58/463286558.db2.gz LTUYIKHOYFYUDO-KBPBESRZSA-N 0 3 328.453 2.126 40 0 EEABHN CN(Cc1cccnc1)[C@H]1CCC[C@@H]2CN(C(=O)[C@H]3CCOC3)C[C@@H]21 ZINC000107197394 463561607 /nfs/dbraw/zinc/56/16/07/463561607.db2.gz BFWWQEORTIQACF-XWSJACJDSA-N 0 3 343.471 2.177 40 0 EEABHN CN(Cc1cccnc1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3CCOC3)C[C@@H]21 ZINC000107197392 463561867 /nfs/dbraw/zinc/56/18/67/463561867.db2.gz BFWWQEORTIQACF-YDZRNGNQSA-N 0 3 343.471 2.177 40 0 EEABHN CNC(=O)c1sc2nc([C@@H]3CCCCN3CCOC)ccc2c1N ZINC000257339275 463786094 /nfs/dbraw/zinc/78/60/94/463786094.db2.gz ZAZZKYLLYZYMQS-ZDUSSCGKSA-N 0 3 348.472 2.412 40 0 EEABHN Cc1ncsc1CN(C)C[C@@H]1CCN(c2ncnc3nc[nH]c32)C1 ZINC000225603977 464174961 /nfs/dbraw/zinc/17/49/61/464174961.db2.gz QDQUBCKQNIPTQE-LBPRGKRZSA-N 0 3 343.460 2.076 40 0 EEABHN Cc1ncc(CNC[C@@H](C)N2CCOC[C@H]2C)n1-c1ccccc1 ZINC000247976935 464718819 /nfs/dbraw/zinc/71/88/19/464718819.db2.gz VNJSLQRABNJJMJ-HZPDHXFCSA-N 0 3 328.460 2.380 40 0 EEABHN Cc1ccnc(O[C@H]2Cn3cccc3CN(C3CCOCC3)C2)n1 ZINC000253477485 465016113 /nfs/dbraw/zinc/01/61/13/465016113.db2.gz GBNMXWDFMIVJSY-KRWDZBQOSA-N 0 3 328.416 2.029 40 0 EEABHN COC[C@]1(CC(N)=O)CCCN1Cc1[nH]c2ccc(F)cc2c1C ZINC000585278687 469005076 /nfs/dbraw/zinc/00/50/76/469005076.db2.gz QNPZLVPWALJQEY-GOSISDBHSA-N 0 3 333.407 2.472 40 0 EEABHN COc1ccc([C@H]2CN(CC3CCOCC3)CCN2C(C)=O)cc1 ZINC000257208970 536944132 /nfs/dbraw/zinc/94/41/32/536944132.db2.gz BOIDHQRBGGUSQR-LJQANCHMSA-N 0 3 332.444 2.327 40 0 EEABHN CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H](N(C)C(=O)OC(C)(C)C)CC1 ZINC000100177785 219093077 /nfs/dbraw/zinc/09/30/77/219093077.db2.gz OHSIXMJTPZUKHQ-MJBXVCDLSA-N 0 3 327.469 2.264 40 0 EEABHN N[C@H](Cc1ccccc1)C(=O)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000195542501 240995446 /nfs/dbraw/zinc/99/54/46/240995446.db2.gz ZANPSWSFAQTTPZ-RTBURBONSA-N 0 3 346.471 2.133 40 0 EEABHN CCc1cc(C(=O)N2CCO[C@H](c3cc(N(C)C)cc(C)n3)C2)no1 ZINC000257235009 244225309 /nfs/dbraw/zinc/22/53/09/244225309.db2.gz GVZLNNOFKKMKPY-KRWDZBQOSA-N 0 3 344.415 2.220 40 0 EEABHN COc1cc(C[N@@H+]2CC[C@H](c3cc(=O)[n-]c(C)n3)C2)cc(OC)c1 ZINC000019285205 212010073 /nfs/dbraw/zinc/01/00/73/212010073.db2.gz GBVUOQRSCSNZGL-AWEZNQCLSA-N 0 3 329.400 2.085 40 0 EEABHN COc1cc(C[N@H+]2CC[C@H](c3cc(=O)[n-]c(C)n3)C2)cc(OC)c1 ZINC000019285205 212010075 /nfs/dbraw/zinc/01/00/75/212010075.db2.gz GBVUOQRSCSNZGL-AWEZNQCLSA-N 0 3 329.400 2.085 40 0 EEABHN CC(=O)N1CSC[C@H]1C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000078771888 217117787 /nfs/dbraw/zinc/11/77/87/217117787.db2.gz XFTITTLWGWGEJK-CJNGLKHVSA-N 0 3 349.500 2.153 40 0 EEABHN CN(C)C(=O)COc1ccccc1CN(C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000093609659 218234603 /nfs/dbraw/zinc/23/46/03/218234603.db2.gz UZLXASZJAACPQJ-IPELMVKDSA-N 0 3 346.471 2.399 40 0 EEABHN COCCNC(=O)c1ccc(NC[C@@H](c2ccccc2)N(C)C)nc1 ZINC000079029347 285073262 /nfs/dbraw/zinc/07/32/62/285073262.db2.gz NJTQRPWRGIIKPF-KRWDZBQOSA-N 0 3 342.443 2.173 40 0 EEABHN COCCN1CC2(CCN(Cc3cnn(C)c3)CC2)c2ccccc21 ZINC000096241288 274025758 /nfs/dbraw/zinc/02/57/58/274025758.db2.gz SCXFNUIABWBMIS-UHFFFAOYSA-N 0 3 340.471 2.420 40 0 EEABHN CCN1C(=O)C[C@@H](C(=O)NC2CCN(C)CC2)[C@@H]1c1ccccc1C ZINC000257250720 279249260 /nfs/dbraw/zinc/24/92/60/279249260.db2.gz JNUAYYLWBGMZFC-MJGOQNOKSA-N 0 3 343.471 2.115 40 0 EEABHN CC(C)c1noc(CCCNC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)n1 ZINC000096499737 323320242 /nfs/dbraw/zinc/32/02/42/323320242.db2.gz UTQPGIPFBKSZNG-LSDHHAIUSA-N 0 3 349.479 2.251 40 0 EEABHN C[C@H](N[C@H]1CCc2n[nH]cc2C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000090455240 462791463 /nfs/dbraw/zinc/79/14/63/462791463.db2.gz OZDZQBVSDWDIMF-GWCFXTLKSA-N 0 3 337.420 2.160 40 0 EEABHN Cc1cccc(-c2noc([C@@H]3C[C@@H](O)CN3C3CCN(C)CC3)n2)c1 ZINC000015674383 462959445 /nfs/dbraw/zinc/95/94/45/462959445.db2.gz FSXMALWLFIJDEP-SJORKVTESA-N 0 3 342.443 2.247 40 0 biogenic,in-vitro EEABHN Cn1cc(CN2CCC3(CCOC[C@@H]3COCC3CC3)CC2)cn1 ZINC000096106456 463174053 /nfs/dbraw/zinc/17/40/53/463174053.db2.gz LXCUCDYRIYYEFI-GOSISDBHSA-N 0 3 333.476 2.465 40 0 EEABHN COc1ncccc1CN1CC[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC000096159514 463190625 /nfs/dbraw/zinc/19/06/25/463190625.db2.gz YTCAMWWEWKPZDW-IBGZPJMESA-N 0 3 338.411 2.114 40 0 EEABHN Cc1cccc(CN2CC[C@]3(C2)C[C@H](Nc2ncccn2)CCO3)n1 ZINC000096209100 463211954 /nfs/dbraw/zinc/21/19/54/463211954.db2.gz WUCOOODFTLFXNN-VQIMIIECSA-N 0 3 339.443 2.416 40 0 EEABHN O=C(C[C@H]1C[C@H]2CN(Cc3ccsc3)C[C@H]2O1)N1CCCCO1 ZINC000096218720 463216743 /nfs/dbraw/zinc/21/67/43/463216743.db2.gz KWBPLJSCXUWUGE-ARFHVFGLSA-N 0 3 336.457 2.282 40 0 EEABHN COCCN1CC[C@H](CNC(=O)COc2cccc(Cl)c2C)C1 ZINC000096412386 463244982 /nfs/dbraw/zinc/24/49/82/463244982.db2.gz ZVPVPPQXEJZWRA-CQSZACIVSA-N 0 3 340.851 2.112 40 0 EEABHN COCCN1CC[C@H](NC(=O)NCC(C)(C)c2cccs2)C1 ZINC000096413325 463246456 /nfs/dbraw/zinc/24/64/56/463246456.db2.gz CCQSUZLQHYLISG-ZDUSSCGKSA-N 0 3 325.478 2.046 40 0 EEABHN N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000096481240 463281309 /nfs/dbraw/zinc/28/13/09/463281309.db2.gz MUVKBKFUYKDGGC-ROUUACIJSA-N 0 3 328.387 2.296 40 0 EEABHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N(CCC(F)(F)F)C1CCC1 ZINC000084637733 463619286 /nfs/dbraw/zinc/61/92/86/463619286.db2.gz GGXYGBCAIBIQKQ-ZIAGYGMSSA-N 0 3 349.397 2.366 40 0 EEABHN Cc1cc(N)cc([C@H]2CN(C(=O)c3n[nH]c4ccccc43)CCO2)n1 ZINC000257273628 463758909 /nfs/dbraw/zinc/75/89/09/463758909.db2.gz NHMMDZUYQAAYHV-MRXNPFEDSA-N 0 3 337.383 2.062 40 0 EEABHN CN(CCC(=O)N1CCC[C@H]1c1cnccn1)Cc1cccnc1 ZINC000257305001 463770004 /nfs/dbraw/zinc/77/00/04/463770004.db2.gz SNZZTSLXDOXTSD-KRWDZBQOSA-N 0 3 325.416 2.057 40 0 EEABHN CC(C)C[C@@H](C)CN1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000225626908 464177047 /nfs/dbraw/zinc/17/70/47/464177047.db2.gz XTTCQLAXNWLJRM-MOPGFXCFSA-N 0 3 325.541 2.395 40 0 EEABHN COCCN1CCC(CNC(=O)Nc2c(F)cccc2F)CC1 ZINC000038489554 213211335 /nfs/dbraw/zinc/21/13/35/213211335.db2.gz SZVDJXVBEVQHCD-UHFFFAOYSA-N 0 3 327.375 2.445 40 0 EEABHN Cc1cc(CCC(=O)NCc2nccn2C)cc([C@@H]2CCCN2C)n1 ZINC000072360568 216167446 /nfs/dbraw/zinc/16/74/46/216167446.db2.gz FHNKHKSJEQHABH-KRWDZBQOSA-N 0 3 341.459 2.139 40 0 EEABHN CN1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NCc2ccco2)C1 ZINC000072849841 216315963 /nfs/dbraw/zinc/31/59/63/216315963.db2.gz NKWWHRJIQKRHFR-CQSZACIVSA-N 0 3 341.411 2.490 40 0 EEABHN CC(C)C(=O)N[C@H]1CCN(Cc2ccc3cc[nH]c3c2)CC[C@@H]1O ZINC000257238634 244236092 /nfs/dbraw/zinc/23/60/92/244236092.db2.gz HLWGVARNAKHJLM-WMZOPIPTSA-N 0 3 329.444 2.265 40 0 EEABHN COc1cc(C)ccc1CN1CCC(c2nnc3n2CCNC3)CC1 ZINC000019711170 212056649 /nfs/dbraw/zinc/05/66/49/212056649.db2.gz GSRVITMIRJOCFW-UHFFFAOYSA-N 0 3 341.459 2.078 40 0 EEABHN C[C@H](N)C(=O)N(C1CC1)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079391358 217219520 /nfs/dbraw/zinc/21/95/20/217219520.db2.gz IGBIOXWDAXCXNG-IACUBPJLSA-N 0 3 325.453 2.161 40 0 EEABHN NCC(=O)N(C1CC1)C1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000079393009 217218498 /nfs/dbraw/zinc/21/84/98/217218498.db2.gz CEHITUOYEFHOLO-UHFFFAOYSA-N 0 3 345.443 2.174 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000079410114 217221930 /nfs/dbraw/zinc/22/19/30/217221930.db2.gz JAQRNYVVBOBFMG-AWEZNQCLSA-N 0 3 327.469 2.075 40 0 EEABHN COc1ccc2c(cc(C)c3nn(CCN4CCCCC4)c(=O)n32)c1 ZINC000012181648 211312015 /nfs/dbraw/zinc/31/20/15/211312015.db2.gz SFMICRQKTMAQKE-UHFFFAOYSA-N 0 3 340.427 2.452 40 0 EEABHN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2NCC(C)(C)O)cc1 ZINC000185413714 292185525 /nfs/dbraw/zinc/18/55/25/292185525.db2.gz HDBQGXXRXXTCSV-HZPDHXFCSA-N 0 3 325.474 2.440 40 0 EEABHN CCOc1ccc(CCC(=O)N2C[C@@H]3CN(CC)CCO[C@@H]3C2)cc1 ZINC000096107972 276373077 /nfs/dbraw/zinc/37/30/77/276373077.db2.gz BHWMEAZWKJESEN-PKOBYXMFSA-N 0 3 346.471 2.197 40 0 EEABHN CN1CC[C@H](COc2ccccn2)CC12CN(C1CCOCC1)C2 ZINC000248125689 277163323 /nfs/dbraw/zinc/16/33/23/277163323.db2.gz LOULTCDQUILQRJ-INIZCTEOSA-N 0 3 331.460 2.036 40 0 EEABHN C[C@H](NCC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1-n1cccn1 ZINC000096491702 278255083 /nfs/dbraw/zinc/25/50/83/278255083.db2.gz QOCRLNJZMDOPTN-XHSDSOJGSA-N 0 3 342.443 2.159 40 0 EEABHN N[C@@H]1CN(C(=O)[C@@H]2OCCc3ccccc32)C[C@H]1c1ccccc1F ZINC000333256932 312119525 /nfs/dbraw/zinc/11/95/25/312119525.db2.gz IDLWVLFCAWGHRM-QXAKKESOSA-N 0 3 340.398 2.393 40 0 EEABHN COCCN1CCC[C@H](NC(=O)N[C@H](c2nccs2)C2CC2)C1 ZINC000230110514 464202576 /nfs/dbraw/zinc/20/25/76/464202576.db2.gz GGMYLMVHWMORGR-KBPBESRZSA-N 0 3 338.477 2.004 40 0 EEABHN CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc(C(N)=O)cc1F ZINC000088391882 462627197 /nfs/dbraw/zinc/62/71/97/462627197.db2.gz PEWZQIAEOUPLBS-UHFFFAOYSA-N 0 3 348.378 2.113 40 0 EEABHN O=C1NC(c2ccccc2)=N[C@@]12CC[C@@H]1CN(Cc3ccncc3)C[C@@H]12 ZINC000096061752 463160796 /nfs/dbraw/zinc/16/07/96/463160796.db2.gz NUWJEFWYVNNZIG-LVCYWYKZSA-N 0 3 346.434 2.239 40 0 EEABHN c1cnc(NCc2cncc3c2CCN(C2CCOCC2)C3)nc1 ZINC000096067447 463164385 /nfs/dbraw/zinc/16/43/85/463164385.db2.gz GUAGNEZBMVIZIT-UHFFFAOYSA-N 0 3 325.416 2.021 40 0 EEABHN Cn1cc(CN2CCC3(CO[C@@H](COc4ccccn4)C3)CC2)cn1 ZINC000096106198 463173882 /nfs/dbraw/zinc/17/38/82/463173882.db2.gz MSEAHTOLOPOJKQ-QGZVFWFLSA-N 0 3 342.443 2.265 40 0 EEABHN CO[C@@H]1CCN(Cc2cccnc2)[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096108602 463176471 /nfs/dbraw/zinc/17/64/71/463176471.db2.gz VPJABXFBGMTNDJ-IPMKNSEASA-N 0 3 327.428 2.396 40 0 EEABHN Cc1cccc(CN2CC[C@@H]3[C@@H](CO[C@H]3CNc3ncccn3)C2)n1 ZINC000096185374 463197018 /nfs/dbraw/zinc/19/70/18/463197018.db2.gz KCSUBGSJWWGYNC-NXHRZFHOSA-N 0 3 339.443 2.129 40 0 EEABHN O=C(N1CCCC1)N1CCOC[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096202198 463206706 /nfs/dbraw/zinc/20/67/06/463206706.db2.gz FSTWVZPVNNQWOB-SFHVURJKSA-N 0 3 349.500 2.488 40 0 EEABHN COc1ccc(CN2CC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)cc1 ZINC000107728875 463580071 /nfs/dbraw/zinc/58/00/71/463580071.db2.gz SZNLKCZUEFDLJA-VQIMIIECSA-N 0 3 340.427 2.331 40 0 EEABHN Cc1nn(C)cc1CN1CC[C@@]2(CCC[C@@H]2C(=O)N2CCCCO2)C1 ZINC000108527301 463610323 /nfs/dbraw/zinc/61/03/23/463610323.db2.gz GHQBRCFLTMZJIH-MJGOQNOKSA-N 0 3 346.475 2.275 40 0 EEABHN CCN(Cc1ccncc1)C[C@]1(O)CCN(C(=O)CC2CCCC2)C1 ZINC000257297408 463767314 /nfs/dbraw/zinc/76/73/14/463767314.db2.gz RHDMHIQETPYYHJ-HXUWFJFHSA-N 0 3 345.487 2.447 40 0 EEABHN CCN1CCN([C@H]2CCN(c3cc(Br)ccn3)C2)CC1 ZINC000239667602 464443846 /nfs/dbraw/zinc/44/38/46/464443846.db2.gz BQPICKKAOJPAKI-AWEZNQCLSA-N 0 3 339.281 2.060 40 0 EEABHN COc1ccccc1[C@H]1CC[C@H](C)CN1CCCS(N)(=O)=O ZINC000239782502 464444474 /nfs/dbraw/zinc/44/44/74/464444474.db2.gz COTDFFPPWWTUSX-DZGCQCFKSA-N 0 3 326.462 2.147 40 0 EEABHN COc1c2c(c([C@](C)(O)C(F)(F)F)c3c1CN(C)CC3)OCO2 ZINC000242574983 464457762 /nfs/dbraw/zinc/45/77/62/464457762.db2.gz NNTYIRPPSTVDPH-AWEZNQCLSA-N 0 3 333.306 2.182 40 0 EEABHN COc1ccc([C@H]2[C@H](CNC(=O)c3ccnn3C)CCCN2C)cc1 ZINC000253426068 465010638 /nfs/dbraw/zinc/01/06/38/465010638.db2.gz LNWFACUNCPAQEY-YJBOKZPZSA-N 0 3 342.443 2.242 40 0 EEABHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000329637589 465394661 /nfs/dbraw/zinc/39/46/61/465394661.db2.gz AJTBVOMYMXVITA-SFFUCWETSA-N 0 3 343.533 2.463 40 0 EEABHN Cc1ccc(C[C@@H]2CN(C(=O)C3CCN(C)CC3)CC[C@H]2O)cc1 ZINC000585276461 469000481 /nfs/dbraw/zinc/00/04/81/469000481.db2.gz LRPLLECXSBZVHH-RTBURBONSA-N 0 3 330.472 2.089 40 0 EEABHN CC(=O)N1CC[C@@H](CN(C)Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000187478461 526647077 /nfs/dbraw/zinc/64/70/77/526647077.db2.gz IPFSCDPNXIRLPQ-KRWDZBQOSA-N 0 3 344.434 2.371 40 0 EEABHN Cc1noc([C@]2(O)CCN(C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C2)n1 ZINC001548452880 1124295028 /nfs/dbraw/zinc/29/50/28/1124295028.db2.gz RUQHGFJNHXTDRC-FMKPAKJESA-N 0 3 335.354 2.320 40 0 EEABHN NCC(=O)N[C@H]1CC[C@H](N(C(=O)OCc2ccccc2)C2CC2)CC1 ZINC000100177841 219093286 /nfs/dbraw/zinc/09/32/86/219093286.db2.gz OAJYBSVHPITBAF-IYBDPMFKSA-N 0 3 345.443 2.174 40 0 EEABHN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(F)c3)[C@@]2(CN)CO)cc1 ZINC000218505971 241328551 /nfs/dbraw/zinc/32/85/51/241328551.db2.gz CCADMWIVQDUJHT-FGTMMUONSA-N 0 3 349.427 2.011 40 0 EEABHN Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3cccn3C)CCO2)n1 ZINC000257249028 244265598 /nfs/dbraw/zinc/26/55/98/244265598.db2.gz JGJYDJLIIAPHTA-KRWDZBQOSA-N 0 3 328.416 2.008 40 0 EEABHN CCN(C(=O)CN)C1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000079392924 217219460 /nfs/dbraw/zinc/21/94/60/217219460.db2.gz FGPHERTWWGZSFL-UHFFFAOYSA-N 0 3 333.432 2.031 40 0 EEABHN CC(C)N(C[C@H]1CCCN(C(=O)CN)C1)C(=O)OCc1ccccc1 ZINC000079412515 217221373 /nfs/dbraw/zinc/22/13/73/217221373.db2.gz KVPJIGCQYKEITN-KRWDZBQOSA-N 0 3 347.459 2.231 40 0 EEABHN CC(C)[C@H](N)C(=O)N(Cc1ccc(Br)nc1)C1CC1 ZINC000079421666 217224046 /nfs/dbraw/zinc/22/40/46/217224046.db2.gz UDHGQRYKUWFWSW-ZDUSSCGKSA-N 0 3 326.238 2.318 40 0 EEABHN C[C@H](N)C(=O)NC1CCC(N(C)C(=O)OCc2ccccc2)CC1 ZINC000079412823 217221884 /nfs/dbraw/zinc/22/18/84/217221884.db2.gz ORFKSILSHDAZLH-JEYLPNPQSA-N 0 3 333.432 2.030 40 0 EEABHN CCN(CC1CCN(C(=O)[C@@H](N)C(C)C)CC1)C(=O)OC(C)(C)C ZINC000079410203 217222007 /nfs/dbraw/zinc/22/20/07/217222007.db2.gz BSSRLKLFAYPCEP-HNNXBMFYSA-N 0 3 341.496 2.465 40 0 EEABHN FC(F)CN1CCN(CC2(CN3CCOCC3)CCCCC2)CC1 ZINC000092586612 218152364 /nfs/dbraw/zinc/15/23/64/218152364.db2.gz DFVWWCCBTTVDKR-UHFFFAOYSA-N 0 3 345.478 2.152 40 0 EEABHN CN1CCC(O)(CNC(=O)c2ccc(Oc3ccccc3)o2)CC1 ZINC000096451370 218835169 /nfs/dbraw/zinc/83/51/69/218835169.db2.gz WMZYGTYSSAMZQX-UHFFFAOYSA-N 0 3 330.384 2.258 40 0 EEABHN Cc1ccc2c(c1)CN(C(=O)c1ccncc1)[C@H](CN(C)C)CO2 ZINC000072395248 278877221 /nfs/dbraw/zinc/87/72/21/278877221.db2.gz XVJJHKPQPJVNQA-QGZVFWFLSA-N 0 3 325.412 2.355 40 0 EEABHN Cc1ccc(S(=O)(=O)NCCN[C@@H](C)Cc2ccc(O)cc2)cc1 ZINC000294350553 293431300 /nfs/dbraw/zinc/43/13/00/293431300.db2.gz SONLSDJGYGIJSR-HNNXBMFYSA-N 0 3 348.468 2.200 40 0 EEABHN C[C@@H]1CN(CCCCNC(=O)[C@@H]2COc3ccccc32)C[C@@H](C)O1 ZINC000085457397 462549438 /nfs/dbraw/zinc/54/94/38/462549438.db2.gz DZILEJXSXNEGTM-BFYDXBDKSA-N 0 3 332.444 2.168 40 0 EEABHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1cc(N2CCCC2)ncn1 ZINC000075166323 462691123 /nfs/dbraw/zinc/69/11/23/462691123.db2.gz OVDHBSNVULTPIC-YVEFUNNKSA-N 0 3 340.383 2.244 40 0 EEABHN C[C@@H]1CCN(Cc2cc(=O)c(O)co2)CCN1Cc1ccccc1 ZINC000076120025 462810783 /nfs/dbraw/zinc/81/07/83/462810783.db2.gz DALKDZRWWOUMJQ-OAHLLOKOSA-N 0 3 328.412 2.442 40 0 EEABHN O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccncc1 ZINC000025224508 463114730 /nfs/dbraw/zinc/11/47/30/463114730.db2.gz YXQFKHCIHOKDJB-QGZVFWFLSA-N 0 3 334.379 2.027 40 0 EEABHN Cc1noc(C)c1CN1CC[C@@H]2[C@H](CNc3ncccn3)OC[C@@H]2C1 ZINC000096041202 463146041 /nfs/dbraw/zinc/14/60/41/463146041.db2.gz JLIXEBJHRQBSAE-ZOBUZTSGSA-N 0 3 343.431 2.030 40 0 EEABHN Cc1cccc(CN2CC[C@H]3OCC[C@@H](C(=O)NC(C)C)[C@@H]3C2)n1 ZINC000096043294 463147435 /nfs/dbraw/zinc/14/74/35/463147435.db2.gz VMAFZUFTYPHRIM-FGTMMUONSA-N 0 3 331.460 2.142 40 0 EEABHN Cc1ccc(CN2CCC[C@]3(CCN(c4cncnc4)C3=O)C2)o1 ZINC000096048702 463153625 /nfs/dbraw/zinc/15/36/25/463153625.db2.gz SOVMMVTYJZUGQO-SFHVURJKSA-N 0 3 326.400 2.397 40 0 EEABHN O=C(NC[C@H]1OC[C@@H]2CCN(Cc3ccco3)C[C@@H]21)c1cscn1 ZINC000096064351 463162524 /nfs/dbraw/zinc/16/25/24/463162524.db2.gz SOYSCHNOPFSGAB-DUVNUKRYSA-N 0 3 347.440 2.003 40 0 EEABHN O=C(OCc1ccccc1)N1C[C@@H](O)[C@H](NCc2ccccc2)C1 ZINC000026898167 463176674 /nfs/dbraw/zinc/17/66/74/463176674.db2.gz CHIXMFBYNKEIGZ-QZTJIDSGSA-N 0 3 326.396 2.158 40 0 EEABHN COCCN1CCC2(CC1)CN(Cc1cccc(OC)c1)CCO2 ZINC000096158874 463190683 /nfs/dbraw/zinc/19/06/83/463190683.db2.gz RJWNCQTYPDOGJL-UHFFFAOYSA-N 0 3 334.460 2.008 40 0 EEABHN Cc1ccc(CN2CC[C@H]3[C@@H](CC(=O)N4CCCC4)OC[C@H]3C2)o1 ZINC000096209209 463211369 /nfs/dbraw/zinc/21/13/69/463211369.db2.gz OMAKNBNFHPUYBZ-KBAYOESNSA-N 0 3 332.444 2.437 40 0 EEABHN Cc1cccc(CN2CC[C@]3(C2)C[C@@H](Nc2ncccn2)CCO3)n1 ZINC000096209246 463212555 /nfs/dbraw/zinc/21/25/55/463212555.db2.gz WUCOOODFTLFXNN-QFBILLFUSA-N 0 3 339.443 2.416 40 0 EEABHN O=C(Cc1ccc2ccccc2c1)NCCCN1CCC(O)CC1 ZINC000096411788 463244691 /nfs/dbraw/zinc/24/46/91/463244691.db2.gz ZHPPQKVYZUDUMN-UHFFFAOYSA-N 0 3 326.440 2.345 40 0 EEABHN CC(C)=CC(=O)NCc1ccc(C(=O)NC[C@@H]2CCCN(C)C2)cc1 ZINC000096430959 463260506 /nfs/dbraw/zinc/26/05/06/463260506.db2.gz VCDJHPWXIWHNJD-KRWDZBQOSA-N 0 3 343.471 2.341 40 0 EEABHN CCCO[C@@H]1CCCN(C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000096435359 463263986 /nfs/dbraw/zinc/26/39/86/463263986.db2.gz RGKUQDBQLPHPPK-OAHLLOKOSA-N 0 3 337.468 2.258 40 0 EEABHN CN(CC(F)(F)F)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000096444653 463269680 /nfs/dbraw/zinc/26/96/80/463269680.db2.gz VJNLJNRYYPGHBS-UHFFFAOYSA-N 0 3 329.366 2.219 40 0 EEABHN C[C@H](O)[C@@H]1CCN(C(=O)NC[C@@H]2CCCN2CCc2ccccc2)C1 ZINC000096502533 463292819 /nfs/dbraw/zinc/29/28/19/463292819.db2.gz VRGRNVRRNQHCPH-UHOSZYNNSA-N 0 3 345.487 2.106 40 0 EEABHN CN(CC1CCN(C)CC1)C(=O)NCCc1ccc(F)cc1F ZINC000069956764 463357714 /nfs/dbraw/zinc/35/77/14/463357714.db2.gz RKPFPNXUWLWFJW-UHFFFAOYSA-N 0 3 325.403 2.491 40 0 EEABHN O=C(Nc1cccnc1)[C@@H]1COC[C@H]2CN(Cc3ccoc3)C[C@H]21 ZINC000107709741 463578462 /nfs/dbraw/zinc/57/84/62/463578462.db2.gz GADOPMHKSCDYCZ-DJIMGWMZSA-N 0 3 327.384 2.008 40 0 EEABHN Cc1cccnc1CN1CCC2(CC1)C[C@H](NC(=O)N(C)C)CCO2 ZINC000108527096 463609681 /nfs/dbraw/zinc/60/96/81/463609681.db2.gz JFNJMBYPWXOZRJ-MRXNPFEDSA-N 0 3 346.475 2.175 40 0 EEABHN CCn1nccc1-c1cc(C2CCN(CCOC)CC2)nc(C)n1 ZINC000257291451 463764225 /nfs/dbraw/zinc/76/42/25/463764225.db2.gz QGZZPYHCPKXPRK-UHFFFAOYSA-N 0 3 329.448 2.494 40 0 EEABHN COc1ccccc1CN1CCO[C@H](c2ncc(CN(C)C)[nH]2)C1 ZINC000257295301 463766307 /nfs/dbraw/zinc/76/63/07/463766307.db2.gz QXTYIXKHJPDTRP-KRWDZBQOSA-N 0 3 330.432 2.053 40 0 EEABHN COCCN1C(=O)CCC[C@H]2CN(Cc3ccncc3C)CC[C@H]21 ZINC000257308168 463771546 /nfs/dbraw/zinc/77/15/46/463771546.db2.gz TVRNWEHCABPCPQ-ZWKOTPCHSA-N 0 3 331.460 2.239 40 0 EEABHN COc1cc(C)c(S(=O)(=O)NCCCN2CCCCC2)cc1C ZINC000223144925 464137022 /nfs/dbraw/zinc/13/70/22/464137022.db2.gz WZDMHNSBXVZJNE-UHFFFAOYSA-N 0 3 340.489 2.466 40 0 EEABHN CN(C)CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2Cc1ccc(F)cc1 ZINC000248065000 464728601 /nfs/dbraw/zinc/72/86/01/464728601.db2.gz ZRIRAWQRHWOJEO-UHOSZYNNSA-N 0 3 336.451 2.383 40 0 EEABHN Cc1ccc(CS(=O)(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c(F)c1 ZINC000192714711 464982525 /nfs/dbraw/zinc/98/25/25/464982525.db2.gz CIXDFWGMKGGEAY-UKRRQHHQSA-N 0 3 328.453 2.378 40 0 EEABHN C[C@@H]1C[C@H](NC[C@H]2CCCS2(=O)=O)CN(Cc2ccccc2)C1 ZINC000253370260 464994185 /nfs/dbraw/zinc/99/41/85/464994185.db2.gz OJYRIAPFBRZRKD-BPQIPLTHSA-N 0 3 336.501 2.064 40 0 EEABHN COc1ccccc1CN1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000092759637 534077613 /nfs/dbraw/zinc/07/76/13/534077613.db2.gz SCKDRVGUPCCCEH-UHFFFAOYSA-N 0 3 342.443 2.071 40 0 EEABHN Cc1ccnc([C@@H]2CN(C(=O)c3ccc(CN(C)C)cc3)CCO2)n1 ZINC000257251754 244271609 /nfs/dbraw/zinc/27/16/09/244271609.db2.gz JSBWHZIWJZJQBC-KRWDZBQOSA-N 0 3 340.427 2.060 40 0 EEABHN C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cc(Br)cs1 ZINC000019575224 212046168 /nfs/dbraw/zinc/04/61/68/212046168.db2.gz SGEGHWMAOBNKPE-YUSALJHKSA-N 0 3 331.279 2.150 40 0 EEABHN Cc1cc(C)c2cc(CNC[C@H]3CCCO3)c3nn(C)c(=O)n3c2c1 ZINC000012325220 211349876 /nfs/dbraw/zinc/34/98/76/211349876.db2.gz SCXLBWFSILKIAU-OAHLLOKOSA-N 0 3 340.427 2.072 40 0 EEABHN CC(C(=O)N(Cc1ccc(F)cc1)CC(F)(F)F)S(C)(=O)=O ZINC000096425760 218795089 /nfs/dbraw/zinc/79/50/89/218795089.db2.gz BIBSXISHOUIJCI-SECBINFHSA-N 0 3 341.326 2.150 40 0 EEABHN Brc1ccc(-c2nsc(N3CCNCC3)n2)cc1 ZINC000216643198 275369066 /nfs/dbraw/zinc/36/90/66/275369066.db2.gz NIVNWWRSEXYUOP-UHFFFAOYSA-N 0 3 325.235 2.377 40 0 EEABHN C[C@@H]1CN(C)CCN1CC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000085468155 462549366 /nfs/dbraw/zinc/54/93/66/462549366.db2.gz SBYKLSMPIMATPF-GOSISDBHSA-N 0 3 343.515 2.494 40 0 EEABHN CN(C)C(=O)COc1ccccc1CN(C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000093609657 463043533 /nfs/dbraw/zinc/04/35/33/463043533.db2.gz UZLXASZJAACPQJ-LZQZEXGQSA-N 0 3 346.471 2.399 40 0 EEABHN O=C(NC1CC1)[C@H]1CC[C@@H]2[C@@H](CCN2CCOCc2ccccc2)O1 ZINC000096041083 463144820 /nfs/dbraw/zinc/14/48/20/463144820.db2.gz BUEFQGYOBUTNHB-GUDVDZBRSA-N 0 3 344.455 2.104 40 0 EEABHN O=C(COC[C@@]12CCC[C@@H]1CN(Cc1cccnc1)C2)N1CCCC1 ZINC000096109216 463178099 /nfs/dbraw/zinc/17/80/99/463178099.db2.gz RJYDSUMOLHJYOZ-QUCCMNQESA-N 0 3 343.471 2.323 40 0 EEABHN Cc1ccsc1C(=O)N1CCN(CCN(C)C)c2ncccc2C1 ZINC000096198836 463204592 /nfs/dbraw/zinc/20/45/92/463204592.db2.gz MGGKPUGOHBXNTR-UHFFFAOYSA-N 0 3 344.484 2.476 40 0 EEABHN COCCN1CC2(CCN(Cc3ccccc3)CC2)[C@H](COC)C1=O ZINC000096206431 463208715 /nfs/dbraw/zinc/20/87/15/463208715.db2.gz HSAGECCDAFYFBO-GOSISDBHSA-N 0 3 346.471 2.020 40 0 EEABHN Cc1occc1C(=O)N1CCC[C@@]2(CCC(=O)N2CCN(C)C)CC1 ZINC000096217700 463215049 /nfs/dbraw/zinc/21/50/49/463215049.db2.gz WHBKTMGVMZJBPP-LJQANCHMSA-N 0 3 347.459 2.137 40 0 EEABHN CO[C@@H](C)c1cccc(NC(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000096434543 463262019 /nfs/dbraw/zinc/26/20/19/463262019.db2.gz YGROJFCMHTYHKI-HOTGVXAUSA-N 0 3 348.491 2.399 40 0 EEABHN Cc1ncsc1CN1CCC2(CC1)C[C@@H](NC(=O)C1CC1)CCO2 ZINC000108535704 463611375 /nfs/dbraw/zinc/61/13/75/463611375.db2.gz FABHKDVXPWKVHX-HNNXBMFYSA-N 0 3 349.500 2.491 40 0 EEABHN CC(C)C(=O)NC1CCN(CCCOc2ccc3c(c2)OCO3)CC1 ZINC000060131787 463650157 /nfs/dbraw/zinc/65/01/57/463650157.db2.gz SXXJSVNBLAMIEY-UHFFFAOYSA-N 0 3 348.443 2.421 40 0 EEABHN CN1CCN(C(=O)c2cnc[nH]2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257279668 463760448 /nfs/dbraw/zinc/76/04/48/463760448.db2.gz OHQWHVFYKWOVCZ-HNNXBMFYSA-N 0 3 349.438 2.204 40 0 EEABHN CN1CC[C@H](c2nc(CNC(=O)CCc3ccc(F)cc3)c[nH]2)C1 ZINC000257324801 463777977 /nfs/dbraw/zinc/77/79/77/463777977.db2.gz WQGIXTACJLTTKD-AWEZNQCLSA-N 0 3 330.407 2.217 40 0 EEABHN CN(C)C(=O)CN1CCC[C@H](Cc2ccnc3ccncc23)CC1 ZINC000257331928 463780980 /nfs/dbraw/zinc/78/09/80/463780980.db2.gz XUXURETYTLUHBH-HNNXBMFYSA-N 0 3 326.444 2.363 40 0 EEABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2cccc(F)c2)c1 ZINC000257340012 463786203 /nfs/dbraw/zinc/78/62/03/463786203.db2.gz ZEDASOVACGMLQW-GOSISDBHSA-N 0 3 327.403 2.332 40 0 EEABHN N[C@@H](C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)C1CCOCC1 ZINC000261753983 463850337 /nfs/dbraw/zinc/85/03/37/463850337.db2.gz LJAWMYHORHCPMY-SECBINFHSA-N 0 3 348.287 2.084 40 0 EEABHN Cc1cn2c(n1)CC[C@@H](N[C@H](C)CS(=O)(=O)c1ccc(C)cc1)C2 ZINC000195561616 464077602 /nfs/dbraw/zinc/07/76/02/464077602.db2.gz DGRXODPOKJJDIO-HZPDHXFCSA-N 0 3 347.484 2.267 40 0 EEABHN COc1ccc([C@@H](C)NC[C@]2(O)CCOC2)c(Br)c1 ZINC000225549491 464170380 /nfs/dbraw/zinc/17/03/80/464170380.db2.gz FQNRDYRGJVLKIS-QMTHXVAHSA-N 0 3 330.222 2.260 40 0 EEABHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cccc(O)c1 ZINC000188173628 464216056 /nfs/dbraw/zinc/21/60/56/464216056.db2.gz YBDKVIDAUOJWPL-HXUWFJFHSA-N 0 3 340.423 2.101 40 0 EEABHN C[C@@H](Cc1ccccc1F)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000188219888 464227170 /nfs/dbraw/zinc/22/71/70/464227170.db2.gz AXQQGZBMQKOFHE-XJKSGUPXSA-N 0 3 330.407 2.275 40 0 EEABHN Cc1cccnc1[C@H](NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C(C)C ZINC000252476848 464957404 /nfs/dbraw/zinc/95/74/04/464957404.db2.gz CMHAJPQCARIRKD-GVDBMIGSSA-N 0 3 346.475 2.250 40 0 EEABHN Cn1nncc1CN[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000253430700 465013600 /nfs/dbraw/zinc/01/36/00/465013600.db2.gz NHRRYAQVGPNXOU-NSHDSACASA-N 0 3 325.338 2.202 40 0 EEABHN C[C@@H](CNC(=O)c1nnn(-c2ccccc2)c1C1CC1)N(C)C1CC1 ZINC000068216789 215290993 /nfs/dbraw/zinc/29/09/93/215290993.db2.gz BOOYLBQNTYTZEO-ZDUSSCGKSA-N 0 3 339.443 2.357 40 0 EEABHN CNC(=O)NC(=O)CN[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000097373957 283357690 /nfs/dbraw/zinc/35/76/90/283357690.db2.gz LRQKCANNNKOXDS-UWVGGRQHSA-N 0 3 331.338 2.243 40 0 EEABHN Cc1ccccc1NC(=O)CCN1CCN(C[C@H]2CCCO2)CC1 ZINC000072556762 216274306 /nfs/dbraw/zinc/27/43/06/216274306.db2.gz PDJXVYUUFGUNSY-QGZVFWFLSA-N 0 3 331.460 2.120 40 0 EEABHN COc1ccc([C@H](CN)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000020179260 212109579 /nfs/dbraw/zinc/10/95/79/212109579.db2.gz VIWMGCPANBKRQU-INIZCTEOSA-N 0 3 335.448 2.248 40 0 EEABHN CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCN1CCN(C)CC1 ZINC000020104395 212101609 /nfs/dbraw/zinc/10/16/09/212101609.db2.gz YMYKJPGHKXXYED-GOSISDBHSA-N 0 3 347.503 2.215 40 0 EEABHN CNc1cc(C)nc([C@@H]2CN(S(=O)(=O)C3CCCC3)CCO2)c1 ZINC000257263816 244355778 /nfs/dbraw/zinc/35/57/78/244355778.db2.gz LRPLUXCLCSHBMS-INIZCTEOSA-N 0 3 339.461 2.077 40 0 EEABHN O=c1cc([C@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)nc(N2CCCC2)[n-]1 ZINC000019333739 212016945 /nfs/dbraw/zinc/01/69/45/212016945.db2.gz JSPZOCLXLZWWRB-HNNXBMFYSA-N 0 3 342.418 2.499 40 0 EEABHN O=c1cc([C@H]2CC[N@H+](Cc3ccc(F)cc3)C2)nc(N2CCCC2)[n-]1 ZINC000019333739 212016949 /nfs/dbraw/zinc/01/69/49/212016949.db2.gz JSPZOCLXLZWWRB-HNNXBMFYSA-N 0 3 342.418 2.499 40 0 EEABHN CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)[C@@H](N)C(C)C)CC1 ZINC000079410180 217221906 /nfs/dbraw/zinc/22/19/06/217221906.db2.gz FXAGGTAUEDBIPI-AWEZNQCLSA-N 0 3 327.469 2.218 40 0 EEABHN O=C(OCc1ccccc1)N(C[C@@H]1CCCN(CCO)C1)C1CC1 ZINC000079411292 217221923 /nfs/dbraw/zinc/22/19/23/217221923.db2.gz FEKOAKYERJACGR-QGZVFWFLSA-N 0 3 332.444 2.492 40 0 EEABHN CC(C)(C)c1ncc(/C=C/C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)s1 ZINC000079823458 217256137 /nfs/dbraw/zinc/25/61/37/217256137.db2.gz FXGDFCKNNRWKCW-JLVOYYQZSA-N 0 3 349.500 2.433 40 0 EEABHN C[C@H]1CCCCN1C(=O)CN1CCC(n2cnc3cccnc32)CC1 ZINC000012114652 211293939 /nfs/dbraw/zinc/29/39/39/211293939.db2.gz YOGXSTZHLIQZJU-HNNXBMFYSA-N 0 3 341.459 2.469 40 0 EEABHN C[C@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1cncc(F)c1 ZINC000095422062 218364479 /nfs/dbraw/zinc/36/44/79/218364479.db2.gz KQZDSJQZLJOAGU-LBPRGKRZSA-N 0 3 338.404 2.354 40 0 EEABHN COC(=O)[C@H]1C[C@@H]1C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000096407277 218758033 /nfs/dbraw/zinc/75/80/33/218758033.db2.gz MUIFLAYNANSDPA-COXVUDFISA-N 0 3 330.428 2.137 40 0 EEABHN O=C1NN=C(c2ccc(-c3cc(F)cc(F)c3)o2)[C@@]12CCCNC2 ZINC000095101120 275024461 /nfs/dbraw/zinc/02/44/61/275024461.db2.gz LUVPQKQKBKSAOD-KRWDZBQOSA-N 0 3 331.322 2.429 40 0 EEABHN CS(=O)(=O)c1ccc(CN2CCNC[C@@H]2c2ccccc2)cc1 ZINC000261625201 278119129 /nfs/dbraw/zinc/11/91/29/278119129.db2.gz BGZFRVOMUPBYAC-GOSISDBHSA-N 0 3 330.453 2.237 40 0 EEABHN CN(CCN1CCC(NC(=O)c2cccn2C)CC1)c1ccccc1 ZINC000085791513 462559309 /nfs/dbraw/zinc/55/93/09/462559309.db2.gz DHRPBFFKXFQVBX-UHFFFAOYSA-N 0 3 340.471 2.356 40 0 EEABHN COc1cccc([C@@H](O)[C@@H](N)c2cccc(OC)c2OC)c1OC ZINC000001667018 462585767 /nfs/dbraw/zinc/58/57/67/462585767.db2.gz NQCYRUZEDDWTHR-JKSUJKDBSA-N 0 3 333.384 2.454 40 0 EEABHN Cn1cc(CN2CCC[C@]3(CCN(Cc4cccnc4)C3)C2)cn1 ZINC000096046993 463149712 /nfs/dbraw/zinc/14/97/12/463149712.db2.gz IXYOJLFKNKBMCE-IBGZPJMESA-N 0 3 325.460 2.303 40 0 EEABHN O=C1N(Cc2ccncc2)CC[C@]12CCCN(Cc1ccccn1)C2 ZINC000096048664 463151811 /nfs/dbraw/zinc/15/18/11/463151811.db2.gz PJCVQLJZOZRKRM-FQEVSTJZSA-N 0 3 336.439 2.491 40 0 EEABHN COc1ccc(CN2CCOC[C@@]3(CC[C@H](CN(C)C)O3)C2)cc1 ZINC000096052290 463156223 /nfs/dbraw/zinc/15/62/23/463156223.db2.gz XZPJVHXPMILBAX-RTBURBONSA-N 0 3 334.460 2.007 40 0 EEABHN Cc1cc(C(=O)N2CCC[C@]3(CCCN3Cc3cccnc3)C2)[nH]n1 ZINC000096071478 463165974 /nfs/dbraw/zinc/16/59/74/463165974.db2.gz BRGFLMVQTQADOF-IBGZPJMESA-N 0 3 339.443 2.384 40 0 EEABHN Cc1cc(C(=O)N2CCC[C@]3(CCCN3Cc3cccnc3)C2)n[nH]1 ZINC000096071478 463165978 /nfs/dbraw/zinc/16/59/78/463165978.db2.gz BRGFLMVQTQADOF-IBGZPJMESA-N 0 3 339.443 2.384 40 0 EEABHN O=C(NC[C@]12COC[C@H]1CN(Cc1cccs1)C2)c1cscn1 ZINC000096108489 463176596 /nfs/dbraw/zinc/17/65/96/463176596.db2.gz JLOYNSNUUBBYIU-WBMJQRKESA-N 0 3 349.481 2.083 40 0 EEABHN Cc1ccc(CN2Cc3ccnn3C[C@@H](COCCN(C)C)C2)s1 ZINC000096188965 463200720 /nfs/dbraw/zinc/20/07/20/463200720.db2.gz VUQBLGQPNRFBDO-INIZCTEOSA-N 0 3 348.516 2.463 40 0 EEABHN CCN1CCc2cc(C(=O)NC(C)C)c(NCC3CC3)nc2CC1 ZINC000096260599 463231895 /nfs/dbraw/zinc/23/18/95/463231895.db2.gz VZZCPNPDRSRUDF-UHFFFAOYSA-N 0 3 330.476 2.462 40 0 EEABHN CN(C)C(=O)OCCN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000158663353 463245342 /nfs/dbraw/zinc/24/53/42/463245342.db2.gz VDWMRHAAIBPHSQ-UHFFFAOYSA-N 0 3 334.342 2.306 40 0 EEABHN C[C@H](CNC(=O)Nc1cccc2[nH]ccc21)CN1CCN(C)CC1 ZINC000096418704 463250466 /nfs/dbraw/zinc/25/04/66/463250466.db2.gz JFRWIFMTQCUPMW-CQSZACIVSA-N 0 3 329.448 2.173 40 0 EEABHN CC[C@@H](NC(=O)N[C@@H]1CCN(CCOC)C1)c1cc(F)ccc1F ZINC000096419937 463251497 /nfs/dbraw/zinc/25/14/97/463251497.db2.gz JHSRKXVLINJOAI-CZUORRHYSA-N 0 3 341.402 2.436 40 0 EEABHN CC[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)CC2CCOCC2)C1 ZINC000096427974 463257856 /nfs/dbraw/zinc/25/78/56/463257856.db2.gz NFTGJKTZHSWYPP-OAHLLOKOSA-N 0 3 346.537 2.233 40 0 EEABHN C[C@H](C(=O)NC[C@@H](O)CN1CCC(C)CC1)c1ccc(F)c(F)c1 ZINC000096436447 463265274 /nfs/dbraw/zinc/26/52/74/463265274.db2.gz JRHIRRYDHSCWRV-DZGCQCFKSA-N 0 3 340.414 2.277 40 0 EEABHN CCN1CCN([C@H](C)CNc2cncc(Br)c2)CC1 ZINC000096453486 463274472 /nfs/dbraw/zinc/27/44/72/463274472.db2.gz DTVIVTNJOHEKJV-GFCCVEGCSA-N 0 3 327.270 2.282 40 0 EEABHN C[S@@](=O)c1ccc(CN[C@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000085306199 463644210 /nfs/dbraw/zinc/64/42/10/463644210.db2.gz ZIOSVMWCKYXEAT-WNSKOXEYSA-N 0 3 328.437 2.319 40 0 EEABHN Cc1cc(N)cc([C@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)n1 ZINC000257304601 463770651 /nfs/dbraw/zinc/77/06/51/463770651.db2.gz SMJBSPBOGHSYMR-QGZVFWFLSA-N 0 3 345.374 2.090 40 0 EEABHN CC(C(=O)NC[C@H]1CCCO1)S(=O)(=O)C1CCC(C)(C)CC1 ZINC000330976018 465881482 /nfs/dbraw/zinc/88/14/82/465881482.db2.gz UCHHOLLGNPCBBJ-CHWSQXEVSA-N 0 3 331.478 2.054 40 0 EEABHN O=C(NCCN1CCCC1)[C@@H]1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000306137767 466494126 /nfs/dbraw/zinc/49/41/26/466494126.db2.gz RFNYXPGVZXDNOZ-MRXNPFEDSA-N 0 3 338.455 2.394 40 0 EEABHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)Nc1ccc(F)cn1 ZINC000585140541 468989038 /nfs/dbraw/zinc/98/90/38/468989038.db2.gz HBDRTZYXQAZPIT-AWEZNQCLSA-N 0 3 336.411 2.328 40 0 EEABHN CCOc1ccc(CN2CCN(CCN3CCSCC3)CC2)cc1 ZINC000096461010 528434422 /nfs/dbraw/zinc/43/44/22/528434422.db2.gz AQZCKPMOCYIXMI-UHFFFAOYSA-N 0 3 349.544 2.252 40 0 EEABHN CNC(=S)N(CCN(C)C)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000004133541 210129633 /nfs/dbraw/zinc/12/96/33/210129633.db2.gz KSYCFLTZGILNSR-UHFFFAOYSA-N 0 3 346.500 2.013 40 0 EEABHN Cn1ccnc1[C@@](O)(CCNCc1cccc(F)c1)C(F)(F)F ZINC000067698810 215188751 /nfs/dbraw/zinc/18/87/51/215188751.db2.gz HOYJSSYLKQZKGE-AWEZNQCLSA-N 0 3 331.313 2.489 40 0 EEABHN Cc1ccc(Oc2nccnc2[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000072363214 216170486 /nfs/dbraw/zinc/17/04/86/216170486.db2.gz MTMNLCSPXAWQGV-AWEZNQCLSA-N 0 3 326.400 2.242 40 0 EEABHN CC[C@@H]1CCCC[N@@H+]1CCC[N-]S(=O)(=O)c1c(C)noc1C ZINC000225875485 242068623 /nfs/dbraw/zinc/06/86/23/242068623.db2.gz NQXCRRJDVVJFPG-CQSZACIVSA-N 0 3 329.466 2.224 40 0 EEABHN CC[C@@H]1CCCC[N@H+]1CCC[N-]S(=O)(=O)c1c(C)noc1C ZINC000225875485 242068625 /nfs/dbraw/zinc/06/86/25/242068625.db2.gz NQXCRRJDVVJFPG-CQSZACIVSA-N 0 3 329.466 2.224 40 0 EEABHN O=c1cc(C[C@@H]2COCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)nc[n-]1 ZINC000257262052 244350160 /nfs/dbraw/zinc/35/01/60/244350160.db2.gz LJVOYUAZUYTDRF-HNNXBMFYSA-N 0 3 338.411 2.355 40 0 EEABHN O=c1cc(C[C@@H]2COCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)nc[n-]1 ZINC000257262052 244350167 /nfs/dbraw/zinc/35/01/67/244350167.db2.gz LJVOYUAZUYTDRF-HNNXBMFYSA-N 0 3 338.411 2.355 40 0 EEABHN CC(=O)N1CCC(N2CC(Cc3nccc4ccn(C)c43)C2)CC1 ZINC000257278066 244396514 /nfs/dbraw/zinc/39/65/14/244396514.db2.gz OAPRPNICUZRLJT-UHFFFAOYSA-N 0 3 326.444 2.059 40 0 EEABHN CCN(C(=O)[C@@H](N)C(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391431 284201776 /nfs/dbraw/zinc/20/17/76/284201776.db2.gz ZCTYEPSIYOIOMY-KBPBESRZSA-N 0 3 327.469 2.218 40 0 EEABHN Cc1nc([C@@H]2CCN(Cc3cncn3Cc3ccccc3)C2)cc(=O)[nH]1 ZINC000019285285 212010484 /nfs/dbraw/zinc/01/04/84/212010484.db2.gz OVVHKCFSFDQCCT-QGZVFWFLSA-N 0 3 349.438 2.313 40 0 EEABHN COc1cc(C[N@@H+]2CC[C@@H](c3cc(=O)[n-]c(C)n3)C2)cc(OC)c1 ZINC000019285203 212010153 /nfs/dbraw/zinc/01/01/53/212010153.db2.gz GBVUOQRSCSNZGL-CQSZACIVSA-N 0 3 329.400 2.085 40 0 EEABHN COc1cc(C[N@H+]2CC[C@@H](c3cc(=O)[n-]c(C)n3)C2)cc(OC)c1 ZINC000019285203 212010155 /nfs/dbraw/zinc/01/01/55/212010155.db2.gz GBVUOQRSCSNZGL-CQSZACIVSA-N 0 3 329.400 2.085 40 0 EEABHN CNS(=O)(=O)Cc1cccc(CNCc2ccc(F)cc2C)c1 ZINC000078553402 217075229 /nfs/dbraw/zinc/07/52/29/217075229.db2.gz DEXVATWBQFLOFX-UHFFFAOYSA-N 0 3 336.432 2.473 40 0 EEABHN O=C(CCn1ccccc1=O)Nc1cnccc1N1CCCCC1 ZINC000079041101 217179540 /nfs/dbraw/zinc/17/95/40/217179540.db2.gz JTKUCBPBQFLIEI-UHFFFAOYSA-N 0 3 326.400 2.262 40 0 EEABHN C[C@H](N)C(=O)N(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000079391344 217218639 /nfs/dbraw/zinc/21/86/39/217218639.db2.gz UBQGYDMOAMWPOW-JSGCOSHPSA-N 0 3 325.453 2.114 40 0 EEABHN CC(C)N(C(=O)[C@H](C)N)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000079391312 217218716 /nfs/dbraw/zinc/21/87/16/217218716.db2.gz UMJWFILEJZYTMM-HSBZDZAISA-N 0 3 327.469 2.407 40 0 EEABHN O[C@@H](CN1CCC(O)(c2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000012292066 211334846 /nfs/dbraw/zinc/33/48/46/211334846.db2.gz NEKSCQGIRRBLSP-KRWDZBQOSA-N 0 3 341.407 2.432 40 0 EEABHN Cc1nc(N2CCOCC2)ccc1NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000095429624 218372984 /nfs/dbraw/zinc/37/29/84/218372984.db2.gz HHTKKTCHXFIKJL-DZKIICNBSA-N 0 3 346.475 2.426 40 0 EEABHN CN1CCCc2ccc(S(=O)(=O)NC[C@@H](N)c3ccccc3)cc21 ZINC000095432045 218374689 /nfs/dbraw/zinc/37/46/89/218374689.db2.gz KLUISFAXVKFNKR-QGZVFWFLSA-N 0 3 345.468 2.047 40 0 EEABHN Cc1cc(N[C@H](C)c2nnnn2C)cc(N2CCN(C(C)C)CC2)c1 ZINC000276552133 256443758 /nfs/dbraw/zinc/44/37/58/256443758.db2.gz AXYQMTBAFNEOGX-OAHLLOKOSA-N 0 3 343.479 2.222 40 0 EEABHN CCN(C[C@H]1CCCN(C(=O)[C@H](C)N)C1)C(=O)OCc1ccccc1 ZINC000079412895 276138782 /nfs/dbraw/zinc/13/87/82/276138782.db2.gz FETDHNUSBJNWSG-DOTOQJQBSA-N 0 3 347.459 2.231 40 0 EEABHN CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223288454 288713302 /nfs/dbraw/zinc/71/33/02/288713302.db2.gz YZGNEYNZSQYMBZ-SJORKVTESA-N 0 3 343.500 2.437 40 0 EEABHN CNC(=O)[C@]1(Cc2cc(C(C)C)no2)CCN(Cc2ccccn2)C1 ZINC000019695670 463020791 /nfs/dbraw/zinc/02/07/91/463020791.db2.gz ZMZRNPBPNFQAOO-IBGZPJMESA-N 0 3 342.443 2.374 40 0 EEABHN COc1ccc(CN2C[C@H]3OCC[C@H]3[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000096038867 463144076 /nfs/dbraw/zinc/14/40/76/463144076.db2.gz MNRGEOTUHKEBAS-IPMKNSEASA-N 0 3 344.455 2.155 40 0 EEABHN Cc1nnc([C@@H]2CCO[C@@H]3CCN(Cc4cccc(C)n4)C[C@@H]32)o1 ZINC000096043520 463148832 /nfs/dbraw/zinc/14/88/32/463148832.db2.gz URSDCFHKDYIAPL-BRWVUGGUSA-N 0 3 328.416 2.476 40 0 EEABHN Fc1ccc(CN2CC[C@@]3(C[C@H](Nc4cnccn4)CO3)C2)cc1 ZINC000096047569 463151939 /nfs/dbraw/zinc/15/19/39/463151939.db2.gz SVYTUDPYYWORCF-FUHWJXTLSA-N 0 3 328.391 2.461 40 0 EEABHN O=C(c1cnccn1)N1CCC[C@]2(CCN(Cc3ccoc3)C2)C1 ZINC000096158182 463188411 /nfs/dbraw/zinc/18/84/11/463188411.db2.gz SMBXMKWUSARICU-GOSISDBHSA-N 0 3 326.400 2.198 40 0 EEABHN Cn1ccnc1CN1CC[C@]2(C1)COCCN(Cc1cccs1)C2 ZINC000096202067 463207451 /nfs/dbraw/zinc/20/74/51/463207451.db2.gz OYURLGJTLZEYGI-GOSISDBHSA-N 0 3 346.500 2.206 40 0 EEABHN O=C(NCC[C@@]12CCO[C@@H]1CCN(Cc1ccoc1)C2)N1CCCC1 ZINC000096206678 463208664 /nfs/dbraw/zinc/20/86/64/463208664.db2.gz SOEJDMUWCNUWRQ-MJGOQNOKSA-N 0 3 347.459 2.456 40 0 EEABHN O=C(c1ccncc1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096245570 463226790 /nfs/dbraw/zinc/22/67/90/463226790.db2.gz YIVMJKTXSOZJJL-IAGOWNOFSA-N 0 3 325.387 2.425 40 0 EEABHN O=C(NCCc1cc2ccccc2o1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000096417729 463249629 /nfs/dbraw/zinc/24/96/29/463249629.db2.gz NNHWDKPMCVOXGN-WBVHZDCISA-N 0 3 343.427 2.138 40 0 EEABHN CC1(NC(=O)Nc2cnn(CCN3CCCCC3)c2)CCOCC1 ZINC000096495576 463289061 /nfs/dbraw/zinc/28/90/61/463289061.db2.gz IQFOTKQUHKLPLW-UHFFFAOYSA-N 0 3 335.452 2.060 40 0 EEABHN CNC(=O)NC(=O)CN[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000097103544 463324761 /nfs/dbraw/zinc/32/47/61/463324761.db2.gz OQHIQBDJPDJXNN-YPMHNXCESA-N 0 3 343.349 2.387 40 0 EEABHN Cc1ccc(NC(=O)N(C)C)c(C(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000073476762 463615625 /nfs/dbraw/zinc/61/56/25/463615625.db2.gz OHOKFTOCOUXJDK-OAHLLOKOSA-N 0 3 344.459 2.303 40 0 EEABHN Cc1cc(N)cc([C@@H]2CN(C(=O)Cc3cccc(F)c3)CCO2)n1 ZINC000257321195 463776925 /nfs/dbraw/zinc/77/69/25/463776925.db2.gz WAOJXACWFLZVNR-KRWDZBQOSA-N 0 3 329.375 2.254 40 0 EEABHN CS(=O)(=O)N1CCCC[C@H]2CN(Cc3ccc(O)cc3)CC[C@H]21 ZINC000257336101 463782866 /nfs/dbraw/zinc/78/28/66/463782866.db2.gz YNDRNHWKBIHOKZ-DOTOQJQBSA-N 0 3 338.473 2.028 40 0 EEABHN CN(C[C@@H]1COc2ccccc2O1)C(=O)C[C@@H](N)c1ccccc1 ZINC000194279528 463825810 /nfs/dbraw/zinc/82/58/10/463825810.db2.gz RSMTULJTQYOKQU-HZPDHXFCSA-N 0 3 326.396 2.375 40 0 EEABHN N[C@@H](Cc1ccccc1)C(=O)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000195542500 464073198 /nfs/dbraw/zinc/07/31/98/464073198.db2.gz ZANPSWSFAQTTPZ-MOPGFXCFSA-N 0 3 346.471 2.133 40 0 EEABHN N[C@@H](CC(=O)N1CCC(OC2CCOCC2)CC1)c1ccccc1 ZINC000195544213 464074634 /nfs/dbraw/zinc/07/46/34/464074634.db2.gz WJKCKTWFWDSNHU-SFHVURJKSA-N 0 3 332.444 2.263 40 0 EEABHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(Cl)cc1F ZINC000249132544 464844479 /nfs/dbraw/zinc/84/44/79/464844479.db2.gz DHEYGZCTXABFGA-IINYFYTJSA-N 0 3 341.814 2.216 40 0 EEABHN O=C(Cn1cccn1)Nc1cccc(CNC[C@H]2CCC=CO2)c1 ZINC000252480114 464960907 /nfs/dbraw/zinc/96/09/07/464960907.db2.gz BVZHQWWFVLXQOV-QGZVFWFLSA-N 0 3 326.400 2.304 40 0 EEABHN CC(C)(C)CN1CCC[C@@H](N2CCC[C@@H](Cn3ccnn3)C2)C1=O ZINC000329756422 465424861 /nfs/dbraw/zinc/42/48/61/465424861.db2.gz YPZRRYRZEVYVDA-HZPDHXFCSA-N 0 3 333.480 2.027 40 0 EEABHN CC(C)c1noc(-c2ccnc(N3CCN(CC(C)(C)O)CC3)c2)n1 ZINC000301419551 465960638 /nfs/dbraw/zinc/96/06/38/465960638.db2.gz RRLLFRZJGJQXRK-UHFFFAOYSA-N 0 3 345.447 2.148 40 0 EEABHN CCCCc1ncc(CN2CCO[C@H](c3nc(CN(C)C)c[nH]3)C2)[nH]1 ZINC000257239653 535102926 /nfs/dbraw/zinc/10/29/26/535102926.db2.gz HQGMUEAOBHZGHS-INIZCTEOSA-N 0 3 346.479 2.111 40 0 EEABHN CCCCc1nc(CN2CCO[C@H](c3ncc(CN(C)C)[nH]3)C2)c[nH]1 ZINC000257239653 535102929 /nfs/dbraw/zinc/10/29/29/535102929.db2.gz HQGMUEAOBHZGHS-INIZCTEOSA-N 0 3 346.479 2.111 40 0 EEABHN CN1CCC[C@H](CNc2ccc3nnnn3n2)[C@H]1c1cccs1 ZINC000245316733 536387375 /nfs/dbraw/zinc/38/73/75/536387375.db2.gz KLHAACFODGTKJI-ABAIWWIYSA-N 0 3 329.433 2.076 40 0 EEABHN Cc1cc(Nc2cnccn2)nc([C@H]2CCN(C3CCOCC3)C2)n1 ZINC000072382572 216183245 /nfs/dbraw/zinc/18/32/45/216183245.db2.gz MYQVQWHTJUBUKB-AWEZNQCLSA-N 0 3 340.431 2.287 40 0 EEABHN Cc1ncsc1CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000073422731 216384721 /nfs/dbraw/zinc/38/47/21/216384721.db2.gz MRWNPGXBOPQZAR-UHFFFAOYSA-N 0 3 344.484 2.280 40 0 EEABHN c1csc(COC[C@@H]2CC[C@@H]3[C@H]2OCCN3C[C@H]2CCOC2)n1 ZINC000253595485 244029495 /nfs/dbraw/zinc/02/94/95/244029495.db2.gz FEKPTVAAXMGMDN-DLTWYDFYSA-N 0 3 338.473 2.176 40 0 EEABHN Cc1cn(C)c([C@@H]2CN(C(=O)c3ccc(CN(C)C)cc3)CCO2)n1 ZINC000257206298 244135457 /nfs/dbraw/zinc/13/54/57/244135457.db2.gz BCTDTVZWSYVRMW-KRWDZBQOSA-N 0 3 342.443 2.004 40 0 EEABHN Cc1cc(-c2ncc[nH]2)nc([C@H]2CCCN2C2CCN(C)CC2)n1 ZINC000257263032 244353266 /nfs/dbraw/zinc/35/32/66/244353266.db2.gz LOBWXLLAJAYHJG-MRXNPFEDSA-N 0 3 326.448 2.406 40 0 EEABHN Cc1ccccc1C(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257326432 244535447 /nfs/dbraw/zinc/53/54/47/244535447.db2.gz WXEGLTBXOMQLMF-QGZVFWFLSA-N 0 3 338.398 2.303 40 0 EEABHN Cc1cc(C)n(CCN2CCN(CCn3nc(C)cc3C)[C@@H](C)C2)n1 ZINC000079311712 217207327 /nfs/dbraw/zinc/20/73/27/217207327.db2.gz OLSOCEZSTLAJAR-IBGZPJMESA-N 0 3 344.507 2.020 40 0 EEABHN CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079393259 217219119 /nfs/dbraw/zinc/21/91/19/217219119.db2.gz WBJLNNWKBNASRJ-IKGGRYGDSA-N 0 3 347.459 2.324 40 0 EEABHN CCN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)[C@@H](N)C(C)C ZINC000079391429 217219360 /nfs/dbraw/zinc/21/93/60/217219360.db2.gz FMYJTGUXBQSUGR-KGLIPLIRSA-N 0 3 327.469 2.075 40 0 EEABHN CCN(C(=O)CN)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079392926 217218358 /nfs/dbraw/zinc/21/83/58/217218358.db2.gz GHVULIAFSRLWOR-JKSUJKDBSA-N 0 3 333.432 2.031 40 0 EEABHN CCN(C(=O)OCc1ccccc1)[C@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000079413278 217222472 /nfs/dbraw/zinc/22/24/72/217222472.db2.gz PSBXASJIQIQREC-IRXDYDNUSA-N 0 3 347.459 2.229 40 0 EEABHN Cc1ncc(CNC[C@H]2CN3CCC[C@@H]3CO2)n1-c1ccccc1 ZINC000081292743 217379360 /nfs/dbraw/zinc/37/93/60/217379360.db2.gz NOZFIOIRPIYQJV-MJGOQNOKSA-N 0 3 326.444 2.134 40 0 EEABHN CN1CCC[C@H](NC(=O)CCCc2nc(-c3ccccc3)no2)C1 ZINC000012195133 211317225 /nfs/dbraw/zinc/31/72/25/211317225.db2.gz CHMKFCRNGAFYOI-HNNXBMFYSA-N 0 3 328.416 2.270 40 0 EEABHN CN(C)C[C@H]1CSCCCN1C(=O)COc1ccccc1F ZINC000090699949 217949832 /nfs/dbraw/zinc/94/98/32/217949832.db2.gz ADGQRKNJXXQKGI-ZDUSSCGKSA-N 0 3 326.437 2.100 40 0 EEABHN CCN1CCC(N2CCN(C(C)=O)C[C@H]2c2ccccc2OC)CC1 ZINC000257213967 285187484 /nfs/dbraw/zinc/18/74/84/285187484.db2.gz CJWQZPMANQQXTD-IBGZPJMESA-N 0 3 345.487 2.385 40 0 EEABHN O=c1[n-]c(N2CCCC2)nc2c1CC[N@H+](Cc1ccc(F)cc1)CC2 ZINC000019334461 285195858 /nfs/dbraw/zinc/19/58/58/285195858.db2.gz FSFLMPXAEUUUQR-UHFFFAOYSA-N 0 3 342.418 2.110 40 0 EEABHN O=c1[n-]c(N2CCCC2)nc2c1CC[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000019334461 285195860 /nfs/dbraw/zinc/19/58/60/285195860.db2.gz FSFLMPXAEUUUQR-UHFFFAOYSA-N 0 3 342.418 2.110 40 0 EEABHN CS(=O)(=O)CC1(CN[C@H]2CSCCc3ccccc32)CC1 ZINC000090183628 278104820 /nfs/dbraw/zinc/10/48/20/278104820.db2.gz NPNIJBKDPYHFAV-HNNXBMFYSA-N 0 3 325.499 2.431 40 0 EEABHN CCC[C@@H](N)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000097228785 323321312 /nfs/dbraw/zinc/32/13/12/323321312.db2.gz BGAJEVBLNLFJKT-ZIAGYGMSSA-N 0 3 341.249 2.476 40 0 EEABHN CC(=O)Nc1nc(C(=O)N(CCN(C)C)c2ccccc2)cs1 ZINC000063853430 462678648 /nfs/dbraw/zinc/67/86/48/462678648.db2.gz YXZDNLSUYWZJFW-UHFFFAOYSA-N 0 3 332.429 2.310 40 0 EEABHN Cc1ncccc1NC(=O)[C@H]1COC[C@H]2CN(Cc3ccco3)C[C@H]21 ZINC000096040774 463145104 /nfs/dbraw/zinc/14/51/04/463145104.db2.gz JMIAOXNCOKEIOM-OIISXLGYSA-N 0 3 341.411 2.316 40 0 EEABHN O=C(NC1CCC1)[C@@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@H]2O1 ZINC000096042991 463147462 /nfs/dbraw/zinc/14/74/62/463147462.db2.gz JTGLGFHVUFLEMT-YTQUADARSA-N 0 3 328.456 2.377 40 0 EEABHN Fc1ccc(CN2CC[C@]3(C[C@H](Nc4cnccn4)CO3)C2)cc1 ZINC000096047568 463151424 /nfs/dbraw/zinc/15/14/24/463151424.db2.gz SVYTUDPYYWORCF-WMZOPIPTSA-N 0 3 328.391 2.461 40 0 EEABHN O=C1N(Cc2ccncc2)CC[C@@]12CCCN(Cc1ccncc1)C2 ZINC000096048669 463151830 /nfs/dbraw/zinc/15/18/30/463151830.db2.gz JOBJQFYINKXKOW-HXUWFJFHSA-N 0 3 336.439 2.491 40 0 EEABHN Fc1cnc(N2CCOC3(CCN(Cc4ccco4)CC3)C2)nc1 ZINC000096049003 463152610 /nfs/dbraw/zinc/15/26/10/463152610.db2.gz HULBMVHZEOABFV-UHFFFAOYSA-N 0 3 332.379 2.080 40 0 EEABHN COc1ccc(CN2CCC[C@@]3(CO[C@@H](C(=O)N(C)C)C3)C2)cc1 ZINC000096048891 463152670 /nfs/dbraw/zinc/15/26/70/463152670.db2.gz STFJCEPUKNEIAV-MJGOQNOKSA-N 0 3 332.444 2.155 40 0 EEABHN Cc1ccc(CN2CCCn3c(=O)cc(CN4CCCC4)nc3C2)o1 ZINC000096059575 463160527 /nfs/dbraw/zinc/16/05/27/463160527.db2.gz JBQXWKSZNVIWGI-UHFFFAOYSA-N 0 3 342.443 2.146 40 0 EEABHN CO[C@H]1CCN(C(=O)c2cc(C3CC3)on2)[C@@H]2CN(CC3CC3)C[C@@H]21 ZINC000096109455 463178835 /nfs/dbraw/zinc/17/88/35/463178835.db2.gz JRGDUPHKTUKNMG-UAGQMJEPSA-N 0 3 345.443 2.123 40 0 EEABHN Cc1cccc(CN2CC[C@@]3(CCN(Cc4cnn(C)c4)C3)C2=O)c1 ZINC000096159595 463190561 /nfs/dbraw/zinc/19/05/61/463190561.db2.gz AYSAYBVOTXRGPN-HXUWFJFHSA-N 0 3 338.455 2.353 40 0 EEABHN CN1CCCN(C(=O)Nc2ccnn2CCc2ccccc2)CC1 ZINC000158051754 463200810 /nfs/dbraw/zinc/20/08/10/463200810.db2.gz UPGBXDCTCLBGHO-UHFFFAOYSA-N 0 3 327.432 2.295 40 0 EEABHN CN(C)[C@@H]1CCN(C(=O)Cc2ccsc2)[C@H]1Cc1ccncc1 ZINC000096201005 463205568 /nfs/dbraw/zinc/20/55/68/463205568.db2.gz FVHFGHNBHDVIIB-SJORKVTESA-N 0 3 329.469 2.459 40 0 EEABHN CN(C)CCn1cc(NC(=O)N[C@H]2CCc3cc(F)ccc32)cn1 ZINC000096447208 463270641 /nfs/dbraw/zinc/27/06/41/463270641.db2.gz AYXZPELFICOFLK-INIZCTEOSA-N 0 3 331.395 2.393 40 0 EEABHN C[C@@H]1C[C@@H](NC[C@@H]2CCCS2(=O)=O)CN(Cc2ccccc2)C1 ZINC000097095356 463321278 /nfs/dbraw/zinc/32/12/78/463321278.db2.gz OJYRIAPFBRZRKD-NXHRZFHOSA-N 0 3 336.501 2.064 40 0 EEABHN CS(=O)(=O)CCN1CCC(NCc2ccc(F)c(Cl)c2)CC1 ZINC000162148725 463487536 /nfs/dbraw/zinc/48/75/36/463487536.db2.gz HQWNHMUCJYNBIC-UHFFFAOYSA-N 0 3 348.871 2.078 40 0 EEABHN COCCN1C(=O)Cc2c1nc([C@@]1(C)CCCN(C(C)C)C1)nc2C ZINC000257342954 463787951 /nfs/dbraw/zinc/78/79/51/463787951.db2.gz ZQTIFHKNEPVYIN-IBGZPJMESA-N 0 3 346.475 2.082 40 0 EEABHN COC(=O)[C@@H]1C[C@H]1C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000195530368 464071989 /nfs/dbraw/zinc/07/19/89/464071989.db2.gz MUIFLAYNANSDPA-IAOVAPTHSA-N 0 3 330.428 2.137 40 0 EEABHN O=C(CNC[C@@H]1CCCO1)NC[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000195543712 464074554 /nfs/dbraw/zinc/07/45/54/464074554.db2.gz LGTMERFVSLNSSA-ZWOKBUDYSA-N 0 3 328.456 2.165 40 0 EEABHN Cc1ccc([C@]2(O)CCC[C@H]3CN(Cc4cnc(N)nc4)C[C@H]32)cc1 ZINC000248058313 464726618 /nfs/dbraw/zinc/72/66/18/464726618.db2.gz COVSVXKTEGLWQD-ILZDJORESA-N 0 3 338.455 2.487 40 0 EEABHN CCC(CC)N1CC[C@H](O)[C@@](O)(COc2cc(F)ccc2F)C1 ZINC000585282431 469007305 /nfs/dbraw/zinc/00/73/05/469007305.db2.gz KBAJNDPOGANSTG-IRXDYDNUSA-N 0 3 329.387 2.330 40 0 EEABHN COc1cccc(CNC(=O)CN[C@](C)(CO)C2CCCCC2)c1 ZINC000077657031 525973024 /nfs/dbraw/zinc/97/30/24/525973024.db2.gz LZLUCNGQFNYXER-LJQANCHMSA-N 0 3 334.460 2.232 40 0 EEABHN Cc1cc(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)no1 ZINC000174852412 231324383 /nfs/dbraw/zinc/32/43/83/231324383.db2.gz RUGLTOMLTSBTDF-GOSISDBHSA-N 0 3 343.427 2.158 40 0 EEABHN CN1CCC(NC2(Cc3cc(-c4ccc(F)cc4)on3)COC2)CC1 ZINC000072321918 216150496 /nfs/dbraw/zinc/15/04/96/216150496.db2.gz GWZGDSYPPLUDLI-UHFFFAOYSA-N 0 3 345.418 2.476 40 0 biogenic,in-vitro EEABHN Cc1ccc(Oc2nccnc2[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000072363213 216170295 /nfs/dbraw/zinc/17/02/95/216170295.db2.gz MTMNLCSPXAWQGV-CQSZACIVSA-N 0 3 326.400 2.242 40 0 EEABHN CNCC(=O)N1CCC(c2nccnc2Oc2ccc(F)cc2)CC1 ZINC000072363289 216170446 /nfs/dbraw/zinc/17/04/46/216170446.db2.gz DUFQQTYBNSPTML-UHFFFAOYSA-N 0 3 344.390 2.333 40 0 EEABHN CNCC(=O)N1CCC[C@H](c2cncc(Oc3cccc(F)c3)n2)C1 ZINC000072363303 216170616 /nfs/dbraw/zinc/17/06/16/216170616.db2.gz BVPZUOAVTRMYLF-ZDUSSCGKSA-N 0 3 344.390 2.333 40 0 EEABHN NC(=O)CN1CCC[C@H](CCc2ccnc(Nc3ccccn3)c2)C1 ZINC000072383083 216184223 /nfs/dbraw/zinc/18/42/23/216184223.db2.gz OWZFZMJOJXAXNC-MRXNPFEDSA-N 0 3 339.443 2.350 40 0 EEABHN CN1CCC[C@@]1(CCCc1cccc(Br)n1)C(N)=O ZINC000257197508 244115852 /nfs/dbraw/zinc/11/58/52/244115852.db2.gz BJXBJYVSCYTNFH-AWEZNQCLSA-N 0 3 326.238 2.117 40 0 EEABHN Cn1cncc1CN1CCC2(CO[C@@H](Cc3ccccn3)C2)CC1 ZINC000257235343 244225689 /nfs/dbraw/zinc/22/56/89/244225689.db2.gz GXKITURAOWFSEA-SFHVURJKSA-N 0 3 326.444 2.429 40 0 EEABHN O=C(Cc1cccc(F)c1)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019293734 212012873 /nfs/dbraw/zinc/01/28/73/212012873.db2.gz VVNUOIVUBQXHFA-QGZVFWFLSA-N 0 3 340.402 2.168 40 0 EEABHN Cc1ccc(C2(C[NH+]3CCC(NC(=O)c4cnn[n-]4)CC3)CC2)cc1 ZINC000019208395 212003882 /nfs/dbraw/zinc/00/38/82/212003882.db2.gz KUXYAYZBYWQCOZ-UHFFFAOYSA-N 0 3 339.443 2.039 40 0 EEABHN C[C@H](NC1(CNC(=O)[C@@H]2CCOC2)CCOCC1)c1ccccc1 ZINC000079096279 217191899 /nfs/dbraw/zinc/19/18/99/217191899.db2.gz VVJCIOORLHYZNQ-DOTOQJQBSA-N 0 3 332.444 2.039 40 0 EEABHN CCN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000079410174 217221766 /nfs/dbraw/zinc/22/17/66/217221766.db2.gz GEPKRQGKCMPBOW-KBPBESRZSA-N 0 3 327.469 2.218 40 0 EEABHN CC(C)C(=O)NCCNCc1cccc(I)c1 ZINC000283791242 257899258 /nfs/dbraw/zinc/89/92/58/257899258.db2.gz ACHQMPINMZRHKV-UHFFFAOYSA-N 0 3 346.212 2.153 40 0 EEABHN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2NC[C@@H](C)CO)cc1 ZINC000185120856 292185749 /nfs/dbraw/zinc/18/57/49/292185749.db2.gz ZBZPKPVXZXDFMW-DJIMGWMZSA-N 0 3 325.474 2.298 40 0 EEABHN Cc1cc(C)c(N2CC[C@H](N[C@H]3CCCC[C@@H]3C(N)=O)C2=O)c(C)c1 ZINC000191101085 280388394 /nfs/dbraw/zinc/38/83/94/280388394.db2.gz FDPBGLGZDXUIKV-ULQDDVLXSA-N 0 3 343.471 2.351 40 0 EEABHN C[C@H](NC(=O)CN[C@H](c1ccccc1)C1CCCC1)C(=O)N(C)C ZINC000096405533 299060173 /nfs/dbraw/zinc/06/01/73/299060173.db2.gz FBNQACURHRZCHS-KBXCAEBGSA-N 0 3 331.460 2.100 40 0 EEABHN CN(C)C[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O ZINC000085435920 462545997 /nfs/dbraw/zinc/54/59/97/462545997.db2.gz YSOUPDHCLCMXHM-XYJFISCASA-N 0 3 334.391 2.493 40 0 biogenic,in-vitro EEABHN CNS(=O)(=O)c1cccc([C@H](C)NC[C@@H](O)c2cccc(C)c2)c1 ZINC000090520052 462796635 /nfs/dbraw/zinc/79/66/35/462796635.db2.gz UXPCYNNIVPHHDM-KBXCAEBGSA-N 0 3 348.468 2.287 40 0 EEABHN O=c1[n-]c(C2CC[NH2+]CC2)nc2c1nnn2Cc1ccccc1Cl ZINC000013564029 462896007 /nfs/dbraw/zinc/89/60/07/462896007.db2.gz RJTLJNGKFHZUCE-UHFFFAOYSA-N 0 3 344.806 2.096 40 0 EEABHN CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(CC3CCC3)C[C@H]2O1 ZINC000096042805 463147276 /nfs/dbraw/zinc/14/72/76/463147276.db2.gz ASNLNUOKXFPZGW-QXAKKESOSA-N 0 3 343.471 2.320 40 0 EEABHN O=C(NCC1CC1)[C@@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@H]2O1 ZINC000096042900 463147294 /nfs/dbraw/zinc/14/72/94/463147294.db2.gz QSMTXLXWXAHCPE-GBESFXJTSA-N 0 3 328.456 2.235 40 0 EEABHN CC(C)c1nnc([C@H]2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3O2)o1 ZINC000096045976 463150550 /nfs/dbraw/zinc/15/05/50/463150550.db2.gz HJJGHSDALUGRBN-SOUVJXGZSA-N 0 3 331.420 2.279 40 0 EEABHN COc1ccc(CN2CC[C@H]3O[C@@H](C(=O)NCC4CC4)CC[C@H]32)cc1 ZINC000096057464 463158636 /nfs/dbraw/zinc/15/86/36/463158636.db2.gz NJXMXLCOSPTSFJ-GUDVDZBRSA-N 0 3 344.455 2.343 40 0 EEABHN Cc1cccc(CN2CC[C@]3(C[C@H](Nc4cnccn4)CO3)C2)n1 ZINC000096072740 463167266 /nfs/dbraw/zinc/16/72/66/463167266.db2.gz UTAPSYLGSZWIEN-WMZOPIPTSA-N 0 3 325.416 2.026 40 0 EEABHN CN(C)CCOCc1cncc2c1CCN(C(=O)c1cccs1)C2 ZINC000096189347 463201709 /nfs/dbraw/zinc/20/17/09/463201709.db2.gz CCVLPJTVUAKHLP-UHFFFAOYSA-N 0 3 345.468 2.420 40 0 EEABHN O=C(C[C@]12COC[C@H]1CN(Cc1ccco1)C2)NCc1cccs1 ZINC000096206307 463208652 /nfs/dbraw/zinc/20/86/52/463208652.db2.gz DVVPUIJKIXLGRT-KDOFPFPSSA-N 0 3 346.452 2.496 40 0 EEABHN Cc1ccc(CN2CC[C@@]3(C2)CCC[C@H](CNC(=O)N(C)C)O3)o1 ZINC000096206738 463209089 /nfs/dbraw/zinc/20/90/89/463209089.db2.gz XNSNTPPTTFEVHF-CRAIPNDOSA-N 0 3 335.448 2.373 40 0 EEABHN CC(C)N1CCOC[C@]2(CCCN(C(=O)CCc3cccnc3)C2)C1 ZINC000096228742 463221904 /nfs/dbraw/zinc/22/19/04/463221904.db2.gz GITZNCSFAHTJNP-HXUWFJFHSA-N 0 3 345.487 2.364 40 0 EEABHN Cc1cc(N2CC[C@@H](N[C@H](C)CCc3ccc(O)cc3)C2=O)n(C)n1 ZINC000136472045 463241719 /nfs/dbraw/zinc/24/17/19/463241719.db2.gz USZJWKGMMDFARV-CXAGYDPISA-N 0 3 342.443 2.150 40 0 EEABHN COc1ccc(NC(=O)NC[C@H](C)CN2CCN(C)CC2)c(C)c1 ZINC000096434566 463262372 /nfs/dbraw/zinc/26/23/72/463262372.db2.gz OSOCMAGZSAINBK-AWEZNQCLSA-N 0 3 334.464 2.009 40 0 EEABHN Cc1cc(C(=O)N2CCC[C@@H](NCc3ccccc3)C2)cc(=O)[nH]1 ZINC000096495422 463289468 /nfs/dbraw/zinc/28/94/68/463289468.db2.gz UGXAFGJARQJYMI-QGZVFWFLSA-N 0 3 325.412 2.078 40 0 EEABHN O=S(=O)(Cc1ccccc1)NCC1CCN(c2ccncc2)CC1 ZINC000070922044 463393209 /nfs/dbraw/zinc/39/32/09/463393209.db2.gz BXHYACCFQJJDOY-UHFFFAOYSA-N 0 3 345.468 2.418 40 0 EEABHN CN(C)Cc1ccc(CNC(=O)CCNC(=O)c2ccsc2)cc1 ZINC000039981942 463452574 /nfs/dbraw/zinc/45/25/74/463452574.db2.gz CPMFHNSLAKMFJN-UHFFFAOYSA-N 0 3 345.468 2.246 40 0 EEABHN C[S@](=O)c1ccc(CN[C@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000085306203 463644454 /nfs/dbraw/zinc/64/44/54/463644454.db2.gz ZIOSVMWCKYXEAT-NPMXOYFQSA-N 0 3 328.437 2.319 40 0 EEABHN CN(CCC(=O)N1CCC[C@@H]1c1cnccn1)Cc1cccnc1 ZINC000257305002 463770956 /nfs/dbraw/zinc/77/09/56/463770956.db2.gz SNZZTSLXDOXTSD-QGZVFWFLSA-N 0 3 325.416 2.057 40 0 EEABHN COc1cc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)ncn1 ZINC000276989894 463832873 /nfs/dbraw/zinc/83/28/73/463832873.db2.gz GPNMSGQEPVZZEE-MRXNPFEDSA-N 0 3 328.416 2.188 40 0 EEABHN C[C@@](O)(CN1CCC(OC[C@@H]2CCCCO2)CC1)C(F)(F)F ZINC000240871488 464449459 /nfs/dbraw/zinc/44/94/59/464449459.db2.gz IKWPVOHXWMIGOK-UONOGXRCSA-N 0 3 325.371 2.350 40 0 EEABHN O=C(Cc1cccs1)N1Cc2ccnn2[C@H](CN2CCCC2)C1 ZINC000247854084 464710897 /nfs/dbraw/zinc/71/08/97/464710897.db2.gz JSGSABQJQYHPFQ-OAHLLOKOSA-N 0 3 330.457 2.166 40 0 EEABHN Cc1ccccc1CC(=O)N1Cc2ccnn2CC[C@@H]1CN(C)C ZINC000585097010 468964705 /nfs/dbraw/zinc/96/47/05/468964705.db2.gz GNODTPHMLJPHNB-QGZVFWFLSA-N 0 3 326.444 2.097 40 0 EEABHN CNC(=O)c1cccc([C@@H]2CNCCN2Cc2ccc(F)c(F)c2)c1 ZINC000585182466 468995398 /nfs/dbraw/zinc/99/53/98/468995398.db2.gz DJJGFTGUCUJWGQ-SFHVURJKSA-N 0 3 345.393 2.471 40 0 EEABHN CO[C@H]1CCCN(Cc2cccnc2)[C@H]1CCC(=O)N1CCCC1 ZINC000585269034 468997418 /nfs/dbraw/zinc/99/74/18/468997418.db2.gz IIWYKFBRVZNRJE-ROUUACIJSA-N 0 3 331.460 2.464 40 0 EEABHN CN(CC(=O)N1CC[C@H](O)[C@H](Cc2cccc(F)c2)C1)C1CCCC1 ZINC000585276900 469001903 /nfs/dbraw/zinc/00/19/03/469001903.db2.gz PUTOKXJCWIWWKV-APWZRJJASA-N 0 3 348.462 2.452 40 0 EEABHN C[C@]1(O)CCCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000189797541 237260697 /nfs/dbraw/zinc/26/06/97/237260697.db2.gz JNCGAOVNWGQTDH-AEFFLSMTSA-N 0 3 338.398 2.303 40 0 EEABHN CNc1ncccc1CN1CCC[C@@H](Cc2nccnc2N(C)C)C1 ZINC000257253474 244275354 /nfs/dbraw/zinc/27/53/54/244275354.db2.gz JZBLAJOMYABYAF-HNNXBMFYSA-N 0 3 340.475 2.434 40 0 EEABHN CN1CCC(Cc2ccccc2)(C(=O)N2CCC(CO)CC2)CC1 ZINC000257267016 244364172 /nfs/dbraw/zinc/36/41/72/244364172.db2.gz MFPHHAWUEYYXDE-UHFFFAOYSA-N 0 3 330.472 2.172 40 0 EEABHN CN(C)c1ncccc1CN1CC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000019747822 212061257 /nfs/dbraw/zinc/06/12/57/212061257.db2.gz FGRLZIZPLNGMFA-OAHLLOKOSA-N 0 3 325.416 2.003 40 0 EEABHN CC(=O)N1CCc2nnc([C@H]3CCCN3CC3CCCCC3)n2CC1 ZINC000019706387 212056129 /nfs/dbraw/zinc/05/61/29/212056129.db2.gz AMYVLSOBTVCIBH-QGZVFWFLSA-N 0 3 345.491 2.400 40 0 EEABHN C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)[n-]c(=O)c2C1 ZINC000019590223 212048616 /nfs/dbraw/zinc/04/86/16/212048616.db2.gz UDQRRHZCOQANFF-CQSZACIVSA-N 0 3 344.459 2.066 40 0 EEABHN C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)[n-]c(=O)c2C1 ZINC000019590223 212048621 /nfs/dbraw/zinc/04/86/21/212048621.db2.gz UDQRRHZCOQANFF-CQSZACIVSA-N 0 3 344.459 2.066 40 0 EEABHN COc1ccc(F)c([C@@H]2NC(=O)CC[C@H]2NCc2ccncc2)c1 ZINC000019552670 212041726 /nfs/dbraw/zinc/04/17/26/212041726.db2.gz FVGLCFXFZWDLFP-AEFFLSMTSA-N 0 3 329.375 2.339 40 0 EEABHN O=C(Nc1ccc(C(=O)NCCN2CCCC2)cc1)c1cscn1 ZINC000078997384 217169551 /nfs/dbraw/zinc/16/95/51/217169551.db2.gz APHRSVWSAMPWNH-UHFFFAOYSA-N 0 3 344.440 2.221 40 0 EEABHN CC[C@H](NC(=O)C(C)S(C)(=O)=O)c1ccc(Br)cc1 ZINC000079038579 217179501 /nfs/dbraw/zinc/17/95/01/217179501.db2.gz IQPFOKVYXLBAFD-SKDRFNHKSA-N 0 3 348.262 2.450 40 0 EEABHN CCN(C(=O)[C@H](C)N)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079393144 217218562 /nfs/dbraw/zinc/21/85/62/217218562.db2.gz AFDOFWRFUWJJQK-UAGQMJEPSA-N 0 3 347.459 2.420 40 0 EEABHN CC(C)[C@H](N)C(=O)N(C)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079393271 217218789 /nfs/dbraw/zinc/21/87/89/217218789.db2.gz ONWOKHOBYCCEBC-IRXDYDNUSA-N 0 3 347.459 2.087 40 0 EEABHN CC(C)N(C[C@@H]1CCN(C(=O)[C@H](C)N)C1)C(=O)OCc1ccccc1 ZINC000079412960 217222510 /nfs/dbraw/zinc/22/25/10/217222510.db2.gz BIMDVPJOSXEJLP-DOTOQJQBSA-N 0 3 347.459 2.229 40 0 EEABHN NC1(C(=O)N2CCCN(C(=O)c3ccccc3F)CC2)CCCCC1 ZINC000096481151 218857378 /nfs/dbraw/zinc/85/73/78/218857378.db2.gz HICXTPLTMHILLC-UHFFFAOYSA-N 0 3 347.434 2.162 40 0 EEABHN Cn1nccc1CCNCc1cc(Br)cc2c1OCC2 ZINC000097378273 219020489 /nfs/dbraw/zinc/02/04/89/219020489.db2.gz NWTQZZHPDIGIGN-UHFFFAOYSA-N 0 3 336.233 2.450 40 0 EEABHN O=c1[n-]c(N2CCCC2)nc2c1CC[N@H+](Cc1ccsc1)CC2 ZINC000019406539 285195818 /nfs/dbraw/zinc/19/58/18/285195818.db2.gz DDZJTCRNDWRVCP-UHFFFAOYSA-N 0 3 330.457 2.032 40 0 EEABHN O=c1[n-]c(N2CCCC2)nc2c1CC[N@@H+](Cc1ccsc1)CC2 ZINC000019406539 285195822 /nfs/dbraw/zinc/19/58/22/285195822.db2.gz DDZJTCRNDWRVCP-UHFFFAOYSA-N 0 3 330.457 2.032 40 0 EEABHN C[C@H](N)C(=O)NC1CCC(N(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000079409934 298946264 /nfs/dbraw/zinc/94/62/64/298946264.db2.gz ZICQHSJDOPSOCR-HIFPTAJRSA-N 0 3 325.453 2.161 40 0 EEABHN CN1CCN([C@H]2COC3(C2)CCN(Cc2ccc(F)cc2)CC3)CC1 ZINC000096048846 277112118 /nfs/dbraw/zinc/11/21/18/277112118.db2.gz DIUUISAIHRPCCU-LJQANCHMSA-N 0 3 347.478 2.197 40 0 EEABHN CCOC[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)CC ZINC000218488053 279752122 /nfs/dbraw/zinc/75/21/22/279752122.db2.gz NSQPMHFRCVFZSJ-SOUVJXGZSA-N 0 3 331.865 2.222 40 0 EEABHN Cc1cc(N)cc([C@H]2CN(C(=O)c3noc4c3CCCC4)CCO2)n1 ZINC000257210522 280539484 /nfs/dbraw/zinc/53/94/84/280539484.db2.gz BUZLTHDVIUXIBR-MRXNPFEDSA-N 0 3 342.399 2.053 40 0 EEABHN CN1CCN(CCCNC(=O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000061523931 462586797 /nfs/dbraw/zinc/58/67/97/462586797.db2.gz PHCUEUUMLXZKEL-UHFFFAOYSA-N 0 3 347.503 2.117 40 0 EEABHN COc1ccc2c(c1)OCC[C@@H]2NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000074661966 462621541 /nfs/dbraw/zinc/62/15/41/462621541.db2.gz GNQNLYZGJAYOCX-PBHICJAKSA-N 0 3 345.443 2.399 40 0 EEABHN Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCN(C(=O)C(C)C)C2)n1 ZINC000019705386 463020244 /nfs/dbraw/zinc/02/02/44/463020244.db2.gz KAGHHPQODZNFHE-MRXNPFEDSA-N 0 3 330.476 2.114 40 0 EEABHN O=C(c1ccc(Cl)cc1)C1CCN(C[C@@H](O)Cn2cccn2)CC1 ZINC000052443198 463079717 /nfs/dbraw/zinc/07/97/17/463079717.db2.gz ZUDRHPRSUGRRBM-QGZVFWFLSA-N 0 3 347.846 2.492 40 0 EEABHN Cn1cc(CN2CCC3(CC2)CCN(c2ncccn2)CC3)cn1 ZINC000096047340 463149983 /nfs/dbraw/zinc/14/99/83/463149983.db2.gz ZRQXRJCXIVPJJN-UHFFFAOYSA-N 0 3 326.448 2.093 40 0 EEABHN Cc1nnc([C@@H]2C[C@H]3C[N@H+](CCOCc4ccccc4)C[C@H]3O2)[n-]1 ZINC000096045884 463150013 /nfs/dbraw/zinc/15/00/13/463150013.db2.gz YCQHLUWEIIWDAA-YESZJQIVSA-N 0 3 328.416 2.092 40 0 EEABHN Cc1nnc([C@@H]2C[C@H]3C[N@@H+](CCOCc4ccccc4)C[C@H]3O2)[n-]1 ZINC000096045884 463150017 /nfs/dbraw/zinc/15/00/17/463150017.db2.gz YCQHLUWEIIWDAA-YESZJQIVSA-N 0 3 328.416 2.092 40 0 EEABHN Cc1nnc([C@@H]2C[C@H]3CN(CCOCc4ccccc4)C[C@H]3O2)[nH]1 ZINC000096045884 463150024 /nfs/dbraw/zinc/15/00/24/463150024.db2.gz YCQHLUWEIIWDAA-YESZJQIVSA-N 0 3 328.416 2.092 40 0 EEABHN c1cc(-c2nnn3c2CO[C@@H](CNCc2cccnc2)C3)cs1 ZINC000096061055 463161963 /nfs/dbraw/zinc/16/19/63/463161963.db2.gz RAJLRZKKDAINRT-AWEZNQCLSA-N 0 3 327.413 2.090 40 0 EEABHN c1csc(CN2CCOC3(CCN(Cc4ccncc4)CC3)C2)n1 ZINC000096074717 463167939 /nfs/dbraw/zinc/16/79/39/463167939.db2.gz XGNZLZSVPNXXRG-UHFFFAOYSA-N 0 3 344.484 2.405 40 0 EEABHN Cc1cc(CN2C[C@@H]3CN(Cc4cccs4)CCO[C@@H]3C2)no1 ZINC000096108176 463175906 /nfs/dbraw/zinc/17/59/06/463175906.db2.gz DBKNBJKEAOREHQ-WMLDXEAASA-N 0 3 333.457 2.377 40 0 EEABHN CCc1ccc(CN2CC[C@H]3[C@H](CN4CCOCC4)OC[C@H]3C2)o1 ZINC000096185263 463195619 /nfs/dbraw/zinc/19/56/19/463195619.db2.gz RVZCVXLILRTBAP-LZQZEXGQSA-N 0 3 334.460 2.011 40 0 EEABHN CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3ccc(C)o3)CC[C@@H]21 ZINC000096185699 463198094 /nfs/dbraw/zinc/19/80/94/463198094.db2.gz ZSTWBTULCFEWOA-AOIWGVFYSA-N 0 3 342.443 2.296 40 0 EEABHN Cc1cccc(CN2CCc3ncnc(-c4cnn(C)c4)c3CC2)n1 ZINC000096255198 463229021 /nfs/dbraw/zinc/22/90/21/463229021.db2.gz JDHTZDPQGIXKPI-UHFFFAOYSA-N 0 3 334.427 2.181 40 0 EEABHN CC1CCN(C[C@@H](O)Cn2ccnc2C(=O)c2ccccc2)CC1 ZINC000097375851 463356264 /nfs/dbraw/zinc/35/62/64/463356264.db2.gz YCLGSGUCFNQZLN-QGZVFWFLSA-N 0 3 327.428 2.207 40 0 EEABHN O=C1N[C@H]2OCCC[C@H]2[C@H](C2CCN(Cc3ccccc3)CC2)N1 ZINC000257320271 463776637 /nfs/dbraw/zinc/77/66/37/463776637.db2.gz VVZJPALTZNPERW-BZSNNMDCSA-N 0 3 329.444 2.333 40 0 EEABHN CN1CC[C@@H](COc2ccccn2)CC12CN(Cc1ccccn1)C2 ZINC000248085568 464730043 /nfs/dbraw/zinc/73/00/43/464730043.db2.gz BDTIVZWSFXLIHY-QGZVFWFLSA-N 0 3 338.455 2.452 40 0 EEABHN C[N@@H+]1CC[C@@H](Nc2ncnc3[n-]cnc32)[C@H]1c1ccc(F)c(F)c1 ZINC000252537586 464980664 /nfs/dbraw/zinc/98/06/64/464980664.db2.gz LRIHMPKQHYTWLD-TZMCWYRMSA-N 0 3 330.342 2.488 40 0 EEABHN C[N@H+]1CC[C@@H](Nc2ncnc3[n-]cnc32)[C@H]1c1ccc(F)c(F)c1 ZINC000252537586 464980666 /nfs/dbraw/zinc/98/06/66/464980666.db2.gz LRIHMPKQHYTWLD-TZMCWYRMSA-N 0 3 330.342 2.488 40 0 EEABHN c1nnc([C@H]([NH2+]CC2CCC3(CC2)OCCO3)c2ccccc2)[n-]1 ZINC000253427025 465011276 /nfs/dbraw/zinc/01/12/76/465011276.db2.gz VFKCAIWVWLDCHI-MRXNPFEDSA-N 0 3 328.416 2.417 40 0 EEABHN c1nnc([C@H](NCC2CCC3(CC2)OCCO3)c2ccccc2)[nH]1 ZINC000253427025 465011279 /nfs/dbraw/zinc/01/12/79/465011279.db2.gz VFKCAIWVWLDCHI-MRXNPFEDSA-N 0 3 328.416 2.417 40 0 EEABHN CCc1cc(N2CCN(c3ccc(CN(C)C)cn3)CC2)nc(C)n1 ZINC000253426886 465011450 /nfs/dbraw/zinc/01/14/50/465011450.db2.gz ZIDRNWUMFIQBHX-UHFFFAOYSA-N 0 3 340.475 2.131 40 0 EEABHN Cc1cncc(C(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000253431124 465013507 /nfs/dbraw/zinc/01/35/07/465013507.db2.gz GKJSRNKJVUDPSC-HXUWFJFHSA-N 0 3 339.439 2.099 40 0 EEABHN CC(=O)N1CCC(N2CCC[C@@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585269300 468997276 /nfs/dbraw/zinc/99/72/76/468997276.db2.gz OLKPJLOMEFXBCH-FQEVSTJZSA-N 0 3 346.471 2.212 40 0 EEABHN CNC(=S)N(CCN(C)C)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000004133486 210128947 /nfs/dbraw/zinc/12/89/47/210128947.db2.gz QWWYVTHKPRUGDK-UHFFFAOYSA-N 0 3 346.500 2.013 40 0 EEABHN Cc1cc(=O)n2nc(N[C@@H]3CCN(Cc4ccccc4)C3)sc2n1 ZINC000040489706 213318610 /nfs/dbraw/zinc/31/86/10/213318610.db2.gz CEGYMPCJFQBOPM-CQSZACIVSA-N 0 3 341.440 2.146 40 0 EEABHN CC(=O)NCc1ccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)cc1 ZINC000040467658 213309990 /nfs/dbraw/zinc/30/99/90/213309990.db2.gz NEGDNEGRKNXXFX-IBGZPJMESA-N 0 3 339.439 2.355 40 0 EEABHN CCN(CCC(=O)Nc1cc(C)on1)C[C@H]1COc2ccccc2O1 ZINC000039985847 213248959 /nfs/dbraw/zinc/24/89/59/213248959.db2.gz XDJGCCXYUDFNIJ-AWEZNQCLSA-N 0 3 345.399 2.474 40 0 EEABHN CNCC(=O)N1CCC[C@H]1c1cccc(Nc2cccc(C)n2)n1 ZINC000072382999 216183675 /nfs/dbraw/zinc/18/36/75/216183675.db2.gz KOZMMQIYFIJISU-HNNXBMFYSA-N 0 3 325.416 2.412 40 0 EEABHN c1cc2n(n1)C[C@@H](OCc1cccnc1)CN(CC1CCOCC1)C2 ZINC000253588492 244026609 /nfs/dbraw/zinc/02/66/09/244026609.db2.gz FKWYFTTYHBEJKT-IBGZPJMESA-N 0 3 342.443 2.106 40 0 EEABHN Cc1ncc(CN2CCC(Cc3cnc(CN(C)C)cn3)CC2)cn1 ZINC000257216723 244171806 /nfs/dbraw/zinc/17/18/06/244171806.db2.gz CVVJXSSBZWAGEK-UHFFFAOYSA-N 0 3 340.475 2.091 40 0 EEABHN Cc1c[nH]nc1[C@@H]1CCCN(C(=O)CCN(C)Cc2cccnc2)C1 ZINC000257242783 244247764 /nfs/dbraw/zinc/24/77/64/244247764.db2.gz IECVDAPQWUKOQO-QGZVFWFLSA-N 0 3 341.459 2.341 40 0 EEABHN Cc1cn[nH]c1[C@@H]1CCCN(C(=O)CCN(C)Cc2cccnc2)C1 ZINC000257242783 244247774 /nfs/dbraw/zinc/24/77/74/244247774.db2.gz IECVDAPQWUKOQO-QGZVFWFLSA-N 0 3 341.459 2.341 40 0 EEABHN COc1cccc(CNC(=O)c2ccccc2-n2cc(CN)cn2)c1 ZINC000257248627 244263420 /nfs/dbraw/zinc/26/34/20/244263420.db2.gz JEMYBKKBVWKXMY-UHFFFAOYSA-N 0 3 336.395 2.270 40 0 EEABHN Cc1cn(C)c([C@H]2CCCN(Cc3ccnc(N4CCCC4)n3)C2)n1 ZINC000257263266 244353586 /nfs/dbraw/zinc/35/35/86/244353586.db2.gz LPBLHNVRYMPEEL-INIZCTEOSA-N 0 3 340.475 2.498 40 0 EEABHN Cn1cc(CN2CC[C@@H](C(=O)NCCc3ccc(Cl)cc3)C2)cn1 ZINC000019747979 212061559 /nfs/dbraw/zinc/06/15/59/212061559.db2.gz XRRDQIUTIGOREX-MRXNPFEDSA-N 0 3 346.862 2.254 40 0 EEABHN COCc1cc(=O)[n-]c([C@H]2CCC[N@H+](Cc3ccc(OC)cc3)C2)n1 ZINC000019594312 212050526 /nfs/dbraw/zinc/05/05/26/212050526.db2.gz DKORPRCSCYMZNI-HNNXBMFYSA-N 0 3 343.427 2.305 40 0 EEABHN COCc1cc(=O)[n-]c([C@H]2CCC[N@@H+](Cc3ccc(OC)cc3)C2)n1 ZINC000019594312 212050527 /nfs/dbraw/zinc/05/05/27/212050527.db2.gz DKORPRCSCYMZNI-HNNXBMFYSA-N 0 3 343.427 2.305 40 0 EEABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cccn1-c1ccc(F)cc1 ZINC000019575977 212045820 /nfs/dbraw/zinc/04/58/20/212045820.db2.gz YUCPVUGLAQGFPN-ZOCIIQOWSA-N 0 3 329.419 2.256 40 0 EEABHN COc1cc(CN2CCC[C@@H](c3nc(C)cc(=O)[nH]3)C2)cc(OC)c1 ZINC000019117927 212000972 /nfs/dbraw/zinc/00/09/72/212000972.db2.gz MGQZZVMBMGDAQQ-OAHLLOKOSA-N 0 3 343.427 2.475 40 0 EEABHN CCN1CCN(CCC(=O)N[C@H](C)COc2c(C)cccc2C)CC1 ZINC000078394392 217046522 /nfs/dbraw/zinc/04/65/22/217046522.db2.gz HMUFQMDVXZAWCU-GOSISDBHSA-N 0 3 347.503 2.215 40 0 EEABHN CCN(CC)CCNC(=O)Nc1c[nH]c2cc(OC)ccc2c1=O ZINC000004908230 210319695 /nfs/dbraw/zinc/31/96/95/210319695.db2.gz HOFHMOJSYNUGMH-UHFFFAOYSA-N 0 3 332.404 2.000 40 0 EEABHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CCCO1 ZINC000271066990 285252037 /nfs/dbraw/zinc/25/20/37/285252037.db2.gz MIOGNYRKLWBVOR-AEFFLSMTSA-N 0 3 332.444 2.384 40 0 EEABHN C[C@@]1(O)CCN[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289677 257845917 /nfs/dbraw/zinc/84/59/17/257845917.db2.gz NJKNPTUOSPYCPW-YQQAZPJKSA-N 0 3 334.416 2.471 40 0 biogenic,in-vitro EEABHN C[C@@H]1CCC[C@H](NCc2nnc3n2c2ccccc2c(=O)n3C)[C@H]1C ZINC000245237094 274297113 /nfs/dbraw/zinc/29/71/13/274297113.db2.gz FOCZMTFHIOYUIY-IPYPFGDCSA-N 0 3 339.443 2.496 40 0 EEABHN CC(C)[C@H](CNC(=O)C(=O)Nc1cccc2[nH]ccc21)N1CCCC1 ZINC000077729164 275698636 /nfs/dbraw/zinc/69/86/36/275698636.db2.gz CBFISIXRDHQCET-KRWDZBQOSA-N 0 3 342.443 2.343 40 0 EEABHN CN(C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccccc1)C2 ZINC000096039557 276762952 /nfs/dbraw/zinc/76/29/52/276762952.db2.gz GWRPKHNJGVOTOK-UYAOXDASSA-N 0 3 346.471 2.276 40 0 EEABHN CN1CCC(NC(=S)Nc2cccc(N3CCCC3=O)c2)CC1 ZINC000063145302 462631428 /nfs/dbraw/zinc/63/14/28/462631428.db2.gz ULHGLCWGQONJMT-UHFFFAOYSA-N 0 3 332.473 2.194 40 0 EEABHN OCCN(Cc1ccccc1)C[C@H](O)COc1ccc2c(c1)CCC2 ZINC000006495896 462688047 /nfs/dbraw/zinc/68/80/47/462688047.db2.gz GNDMRJGKZLETCY-FQEVSTJZSA-N 0 3 341.451 2.410 40 0 EEABHN CNS(=O)(=O)c1cccc([C@@H](C)NC[C@@H](O)c2cccc(C)c2)c1 ZINC000090520056 462795651 /nfs/dbraw/zinc/79/56/51/462795651.db2.gz UXPCYNNIVPHHDM-RDTXWAMCSA-N 0 3 348.468 2.287 40 0 EEABHN CCOC(=O)[C@@]12CN(C(C)=O)C[C@@H]1CN(Cc1ccc(C)o1)CCC2 ZINC000096056004 463158273 /nfs/dbraw/zinc/15/82/73/463158273.db2.gz AVQIYSQZUHXHJT-LPHOPBHVSA-N 0 3 348.443 2.212 40 0 EEABHN Cc1nc(CO[C@@H]2CO[C@@]3(CCN(Cc4cnc[nH]4)C3)C2)cs1 ZINC000096072413 463167126 /nfs/dbraw/zinc/16/71/26/463167126.db2.gz QCTHLMPVTXGDCB-HOTGVXAUSA-N 0 3 334.445 2.125 40 0 EEABHN CC(C)[C@H](N)C(=O)N(C)C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000079391409 463210607 /nfs/dbraw/zinc/21/06/07/463210607.db2.gz BFXQWGCLVAYVBL-KGLIPLIRSA-N 0 3 327.469 2.218 40 0 EEABHN CC1CCN(C[C@@H](O)CNC(=O)c2csc(-c3ccoc3)n2)CC1 ZINC000096407861 463241481 /nfs/dbraw/zinc/24/14/81/463241481.db2.gz GXJPDPVOEKVQRS-AWEZNQCLSA-N 0 3 349.456 2.226 40 0 EEABHN Cc1nc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)no1 ZINC000096455116 463275209 /nfs/dbraw/zinc/27/52/09/463275209.db2.gz UAXFYEIYRAVNJD-XJKSGUPXSA-N 0 3 343.431 2.088 40 0 EEABHN Cc1nc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)no1 ZINC000096455117 463275714 /nfs/dbraw/zinc/27/57/14/463275714.db2.gz UAXFYEIYRAVNJD-BBRMVZONSA-N 0 3 343.431 2.088 40 0 EEABHN Cc1cccc(CN2CC[C@@]3(C[C@@H](Nc4cnccn4)CO3)C2)n1 ZINC000107786005 463583315 /nfs/dbraw/zinc/58/33/15/463583315.db2.gz UTAPSYLGSZWIEN-SJLPKXTDSA-N 0 3 325.416 2.026 40 0 EEABHN COCCN1CC2(CC1=O)CCN(Cc1ccc3c(c1)CCO3)CC2 ZINC000108527506 463610266 /nfs/dbraw/zinc/61/02/66/463610266.db2.gz ZTPGXWXETREFSX-UHFFFAOYSA-N 0 3 344.455 2.082 40 0 EEABHN COc1ccccc1CNC(=O)c1ccccc1-n1cc(CN)cn1 ZINC000257289134 463763268 /nfs/dbraw/zinc/76/32/68/463763268.db2.gz PXCPOYWGUXUCMF-UHFFFAOYSA-N 0 3 336.395 2.270 40 0 EEABHN CN(C)C(=O)CN1CCC2(CO[C@H](Cc3ccccc3F)C2)CC1 ZINC000257299758 463768765 /nfs/dbraw/zinc/76/87/65/463768765.db2.gz RRLYZVMYBVGNHO-MRXNPFEDSA-N 0 3 334.435 2.328 40 0 EEABHN CCCn1cc(CN2C[C@@H]3[C@H](N(C)c4cccnn4)CC[C@@H]3C2)cn1 ZINC000257315784 463774944 /nfs/dbraw/zinc/77/49/44/463774944.db2.gz VCTCBFDTIMUFTN-FGTMMUONSA-N 0 3 340.475 2.430 40 0 EEABHN O=C1[C@@H](N2CCC[C@@H](C3OCCO3)C2)CCCN1c1ccccc1 ZINC000195530343 464072481 /nfs/dbraw/zinc/07/24/81/464072481.db2.gz KRETVSIODLSGEB-WBVHZDCISA-N 0 3 330.428 2.267 40 0 EEABHN Cc1ccc(Cl)c(OC[C@H](O)CN2C[C@@H](CO)CC[C@@H]2C)c1 ZINC000195560971 464077833 /nfs/dbraw/zinc/07/78/33/464077833.db2.gz XKPJHZCKHLBXLQ-SOUVJXGZSA-N 0 3 327.852 2.481 40 0 EEABHN Cc1cccc(NC(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)c1 ZINC000224311549 464150950 /nfs/dbraw/zinc/15/09/50/464150950.db2.gz KAWFCAHHIVDETG-UHFFFAOYSA-N 0 3 340.431 2.205 40 0 EEABHN C[C@]1(O)CCCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000241132912 464450553 /nfs/dbraw/zinc/45/05/53/464450553.db2.gz JNCGAOVNWGQTDH-WMZOPIPTSA-N 0 3 338.398 2.303 40 0 EEABHN COC(=O)[C@H]1C[C@@H](N2CCC[C@@H](c3nc4ccccc4o3)C2)[C@@H](O)C1 ZINC000247870577 464710150 /nfs/dbraw/zinc/71/01/50/464710150.db2.gz ZINDOYVMJUWDEC-CLWVCHIJSA-N 0 3 344.411 2.320 40 0 EEABHN c1cc(N2CCOCC2)cn2nc([C@H]3CCCN(C4CCC4)C3)nc12 ZINC000306142919 466493154 /nfs/dbraw/zinc/49/31/54/466493154.db2.gz XOCMEZDMRILORA-HNNXBMFYSA-N 0 3 341.459 2.298 40 0 EEABHN COCc1nnc2n1CCN(Cc1cccc3[nH]ccc31)[C@@H](C)C2 ZINC000585097900 468965974 /nfs/dbraw/zinc/96/59/74/468965974.db2.gz OTNOIAJIMBQLDK-ZDUSSCGKSA-N 0 3 325.416 2.353 40 0 EEABHN CN(C)C(=O)[C@@]1(C)CN(C[C@@]2(O)CC[C@H](C(C)(C)C)CC2)CCO1 ZINC000585285294 469008123 /nfs/dbraw/zinc/00/81/23/469008123.db2.gz XHDRRNPJUUZDHH-LZQZEXGQSA-N 0 3 340.508 2.133 40 0 EEABHN CCc1cc(C(=O)N2CCO[C@@H](c3cc(N(C)C)cc(C)n3)C2)no1 ZINC000257235010 244226779 /nfs/dbraw/zinc/22/67/79/244226779.db2.gz GVZLNNOFKKMKPY-QGZVFWFLSA-N 0 3 344.415 2.220 40 0 EEABHN CC(C)n1c2ccccc2nc1CN1C[C@H]2C[C@@H](O)CN2C[C@@H]1C ZINC000019576038 212046211 /nfs/dbraw/zinc/04/62/11/212046211.db2.gz VTHCNUCNRJQSNG-ARFHVFGLSA-N 0 3 328.460 2.257 40 0 EEABHN CC(C)N(C(=O)[C@H](C)N)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079393162 217218838 /nfs/dbraw/zinc/21/88/38/217218838.db2.gz OLGBJTBUKPXLOE-HNNXBMFYSA-N 0 3 347.459 2.372 40 0 EEABHN C[C@H](N)C(=O)N(C[C@H]1CCCN1C(=O)OCc1ccccc1)C1CC1 ZINC000079393196 217219019 /nfs/dbraw/zinc/21/90/19/217219019.db2.gz OSEIUOCHOPDUOZ-WMLDXEAASA-N 0 3 345.443 2.126 40 0 EEABHN Cc1cccc(OCCCN2CCC(N(C)S(C)(=O)=O)CC2)c1 ZINC000095407281 218342849 /nfs/dbraw/zinc/34/28/49/218342849.db2.gz UTWHJOYVOITKMC-UHFFFAOYSA-N 0 3 340.489 2.120 40 0 EEABHN Brc1cncc(CN[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000236588183 532977562 /nfs/dbraw/zinc/97/75/62/532977562.db2.gz XDPFYEGTOMISOB-AWEZNQCLSA-N 0 3 348.248 2.393 40 0 EEABHN CC(C)N(C[C@@H]1CCCN(C(=O)CN)C1)C(=O)OCc1ccccc1 ZINC000079412511 279447115 /nfs/dbraw/zinc/44/71/15/279447115.db2.gz KVPJIGCQYKEITN-QGZVFWFLSA-N 0 3 347.459 2.231 40 0 EEABHN C[C@H]1CN(C)CCN1CC1CCN(C(=O)c2ccccc2F)CC1 ZINC000085468109 462548628 /nfs/dbraw/zinc/54/86/28/462548628.db2.gz SIJZWSORQUKCQP-HNNXBMFYSA-N 0 3 333.451 2.314 40 0 EEABHN Cn1ccnc1[C@H](O)C1CCN(CCC(=O)Nc2ccccc2)CC1 ZINC000089925219 462743700 /nfs/dbraw/zinc/74/37/00/462743700.db2.gz BBBHNEBCDWCALA-GOSISDBHSA-N 0 3 342.443 2.194 40 0 EEABHN Cc1cccc(CO[C@@H]2C[C@@H]3CN(Cc4cccnc4)CCN3C2)n1 ZINC000096055098 463156717 /nfs/dbraw/zinc/15/67/17/463156717.db2.gz JHSKCFRKXVGIKY-WOJBJXKFSA-N 0 3 338.455 2.260 40 0 EEABHN c1coc(CN2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC000096055173 463156787 /nfs/dbraw/zinc/15/67/87/463156787.db2.gz UBZWSXOMEGQULT-IEBWSBKVSA-N 0 3 327.428 2.398 40 0 EEABHN O=C(NCC1CC1)[C@H]1CCC2(CCN(Cc3cccnc3)CC2)O1 ZINC000096061180 463161758 /nfs/dbraw/zinc/16/17/58/463161758.db2.gz QEAFJOVKNDCMKL-QGZVFWFLSA-N 0 3 329.444 2.121 40 0 EEABHN O=C1NC(c2ccccc2)=N[C@@]12CC[C@@H]1CN(Cc3ccccn3)C[C@@H]12 ZINC000096061750 463161897 /nfs/dbraw/zinc/16/18/97/463161897.db2.gz LDKMLQSHOKNYHB-PLMTUMEDSA-N 0 3 346.434 2.239 40 0 EEABHN CC(=O)N1[C@@H](Cn2cccn2)C[C@@H]2CN(Cc3cccs3)CC[C@@H]21 ZINC000096064441 463163833 /nfs/dbraw/zinc/16/38/33/463163833.db2.gz FJLQNGXLGXKNGR-NUJGCVRESA-N 0 3 344.484 2.456 40 0 EEABHN CN(C)CCOC[C@@H]1Cn2ccnc2CN(Cc2cccc(F)c2)C1 ZINC000096187824 463199461 /nfs/dbraw/zinc/19/94/61/463199461.db2.gz STDWMXLCMWNXJM-KRWDZBQOSA-N 0 3 346.450 2.232 40 0 EEABHN COc1cccc(CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NC3CC3)C2)c1 ZINC000096207124 463210365 /nfs/dbraw/zinc/21/03/65/463210365.db2.gz GKGMXSKVTDMNTI-LZQZEXGQSA-N 0 3 344.455 2.201 40 0 EEABHN Cc1ccc(CN2CCN(CC3CC3)C[C@]3(CCCC(=O)N3)C2)o1 ZINC000096238343 463223842 /nfs/dbraw/zinc/22/38/42/463223842.db2.gz VFHHYLKCONWOGD-LJQANCHMSA-N 0 3 331.460 2.155 40 0 EEABHN O=C(NCc1cccc(CO)c1)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000096450979 463273098 /nfs/dbraw/zinc/27/30/98/463273098.db2.gz RNKGGPNZOSGTET-KFKAGJAMSA-N 0 3 343.471 2.195 40 0 EEABHN COc1cc(CNC(=O)[C@]2(F)CCNC2)ccc1OC1CCCC1 ZINC000097229031 463350990 /nfs/dbraw/zinc/35/09/90/463350990.db2.gz XFHSMCGDDBKXKU-SFHVURJKSA-N 0 3 336.407 2.334 40 0 EEABHN Cc1csc(C2(NCCCS(=O)(=O)N(C)C)CCCC2)n1 ZINC000083215510 463541367 /nfs/dbraw/zinc/54/13/67/463541367.db2.gz AUAQIWKJUSGOEW-UHFFFAOYSA-N 0 3 331.507 2.092 40 0 EEABHN Cc1ncc(CNC[C@@H](c2cnn(C)c2)N(C)C)n1-c1ccccc1 ZINC000084044164 463574650 /nfs/dbraw/zinc/57/46/50/463574650.db2.gz NNKSBDCVHCKLDL-IBGZPJMESA-N 0 3 338.459 2.307 40 0 EEABHN Cc1nn(C)cc1CN1CCC2(CC(Nc3ncccn3)C2)CC1 ZINC000108534052 463612090 /nfs/dbraw/zinc/61/20/90/463612090.db2.gz VHSVXFSLSLKVGN-UHFFFAOYSA-N 0 3 326.448 2.375 40 0 EEABHN CCN1CCN(CCC(=O)N2CCc3cc(F)ccc3[C@H]2C)CC1 ZINC000073881129 463666716 /nfs/dbraw/zinc/66/67/16/463666716.db2.gz HRWFOHXVEZVGJL-OAHLLOKOSA-N 0 3 333.451 2.299 40 0 EEABHN N[C@H](CC(=O)N1CCC(OC2CCOCC2)CC1)c1ccccc1 ZINC000195544214 464074137 /nfs/dbraw/zinc/07/41/37/464074137.db2.gz WJKCKTWFWDSNHU-GOSISDBHSA-N 0 3 332.444 2.263 40 0 EEABHN Cc1ccc(C2(CNC(=O)C[C@H]3CSCCN3)CCOCC2)cc1 ZINC000195544102 464074734 /nfs/dbraw/zinc/07/47/34/464074734.db2.gz NTRPSPVYCSMSSW-KRWDZBQOSA-N 0 3 348.512 2.255 40 0 EEABHN Cc1cn2c(n1)CC[C@H](N[C@H](C)CS(=O)(=O)c1ccc(C)cc1)C2 ZINC000195561618 464077254 /nfs/dbraw/zinc/07/72/54/464077254.db2.gz DGRXODPOKJJDIO-CVEARBPZSA-N 0 3 347.484 2.267 40 0 EEABHN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)[nH]1 ZINC000223289655 464141011 /nfs/dbraw/zinc/14/10/11/464141011.db2.gz JMVOIJWCENWZPK-HZPDHXFCSA-N 0 3 329.473 2.252 40 0 EEABHN CN(C)C[C@@H](NC(=O)NCc1cccnn1)c1ccc(Cl)cc1 ZINC000253393148 464998641 /nfs/dbraw/zinc/99/86/41/464998641.db2.gz VDMKQCQLYORIDL-OAHLLOKOSA-N 0 3 333.823 2.232 40 0 EEABHN COC(=O)CC1(CN2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)CC1 ZINC000390835255 467414832 /nfs/dbraw/zinc/41/48/32/467414832.db2.gz IAMBWHOVFVHIMI-HNNXBMFYSA-N 0 3 345.443 2.384 40 0 EEABHN O=C(Cc1ccccc1Cl)NCC1CCN([C@@H]2CCOC2)CC1 ZINC000575607837 468146313 /nfs/dbraw/zinc/14/63/13/468146313.db2.gz PRKKEONEJSMMEV-MRXNPFEDSA-N 0 3 336.863 2.500 40 0 EEABHN Cc1ccc(C[C@@H]2CN(C(=O)C3CCN(C)CC3)CC[C@@H]2O)cc1 ZINC000585276459 469000757 /nfs/dbraw/zinc/00/07/57/469000757.db2.gz LRPLLECXSBZVHH-MOPGFXCFSA-N 0 3 330.472 2.089 40 0 EEABHN COC[C@]1(CC(=O)N(C)C)CCCN1Cc1cccc(OC)c1F ZINC000585276491 469001092 /nfs/dbraw/zinc/00/10/92/469001092.db2.gz ASRGWIRYQUUBGL-GOSISDBHSA-N 0 3 338.423 2.294 40 0 EEABHN CC(=O)N1CCCN([C@H]2CCC[C@@H](Oc3cccc(C)c3)[C@@H]2O)CC1 ZINC000585288447 469009903 /nfs/dbraw/zinc/00/99/03/469009903.db2.gz AUEJARVJJLMVMZ-XUVXKRRUSA-N 0 3 346.471 2.210 40 0 EEABHN CN(C)CCn1cc(NC(=O)c2ccc3c(c2)CC(C)(C)O3)cn1 ZINC000648269748 471144800 /nfs/dbraw/zinc/14/48/00/471144800.db2.gz BVIOTGJMPNYTSO-UHFFFAOYSA-N 0 3 328.416 2.411 40 0 EEABHN CCCCc1ncc(CN2CCO[C@@H](c3nc(CN(C)C)c[nH]3)C2)[nH]1 ZINC000257239654 535102496 /nfs/dbraw/zinc/10/24/96/535102496.db2.gz HQGMUEAOBHZGHS-MRXNPFEDSA-N 0 3 346.479 2.111 40 0 EEABHN CCCCc1nc(CN2CCO[C@@H](c3ncc(CN(C)C)[nH]3)C2)c[nH]1 ZINC000257239654 535102497 /nfs/dbraw/zinc/10/24/97/535102497.db2.gz HQGMUEAOBHZGHS-MRXNPFEDSA-N 0 3 346.479 2.111 40 0 EEABHN CCOCCCNC(=O)C1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000199402112 1406142720 /nfs/dbraw/zinc/14/27/20/1406142720.db2.gz KEQPPDUXCYCGJV-UHFFFAOYSA-N 0 3 348.443 2.170 40 0 EEABHN CC(=O)N1CCC[C@H](c2nnc3n2CCN(C2CCCCC2)CC3)C1 ZINC000019752257 202018900 /nfs/dbraw/zinc/01/89/00/202018900.db2.gz LOGAAIZTLMMEKX-INIZCTEOSA-N 0 3 345.491 2.195 40 0 EEABHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1cc(N2CCCC2)ncn1 ZINC000075166325 202378195 /nfs/dbraw/zinc/37/81/95/202378195.db2.gz OVDHBSNVULTPIC-SJCJKPOMSA-N 0 3 340.383 2.244 40 0 EEABHN CN(C)C[C@@H]1CSCCCN1C(=O)c1ccc2nsnc2c1 ZINC000090700146 203004128 /nfs/dbraw/zinc/00/41/28/203004128.db2.gz LIPRBCWGQARRNQ-GFCCVEGCSA-N 0 3 336.486 2.201 40 0 EEABHN O=C(c1ccccc1F)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257252076 244270704 /nfs/dbraw/zinc/27/07/04/244270704.db2.gz JTLCZHDRHBXYKX-INIZCTEOSA-N 0 3 342.361 2.134 40 0 EEABHN CNc1cc(C)nc([C@H]2CCN(C(=O)CCn3nccc3C)C2)c1 ZINC000257272800 244383061 /nfs/dbraw/zinc/38/30/61/244383061.db2.gz NDYBHDDLPDRWNH-HNNXBMFYSA-N 0 3 327.432 2.343 40 0 EEABHN CN(C)CCOc1cc(C(=O)N2CCc3ccc(F)cc3C2)ccn1 ZINC000097237383 219003368 /nfs/dbraw/zinc/00/33/68/219003368.db2.gz FVUJNDRXGXHBCV-UHFFFAOYSA-N 0 3 343.402 2.360 40 0 EEABHN Nc1nc(N2CC[C@@H](OCCN3CCCCC3)C2)nc2ccccc12 ZINC000096486689 279708084 /nfs/dbraw/zinc/70/80/84/279708084.db2.gz AHOZQIOAKJGEKR-OAHLLOKOSA-N 0 3 341.459 2.293 40 0 EEABHN O[C@H](COCc1ccc2c(c1)OCO2)CN1CCc2ccccc2C1 ZINC000002686960 462599432 /nfs/dbraw/zinc/59/94/32/462599432.db2.gz SUGUDUBOLJNOHS-SFHVURJKSA-N 0 3 341.407 2.351 40 0 EEABHN Cc1nccn1-c1ccc([C@H](C)NC[C@@H]2CCCS2(=O)=O)cc1 ZINC000090467129 462793996 /nfs/dbraw/zinc/79/39/96/462793996.db2.gz VQDKHQMLRYECNV-GUYCJALGSA-N 0 3 333.457 2.409 40 0 EEABHN Cc1sc2nc(C)n3c(nn(CCN4CCCC4)c3=O)c2c1C ZINC000012144887 462845727 /nfs/dbraw/zinc/84/57/27/462845727.db2.gz XJKPNGNGHSLVJV-UHFFFAOYSA-N 0 3 331.445 2.127 40 0 EEABHN Cc1c(CN2CCC[C@@H](c3ccc(C(=O)N(C)C)cn3)C2)cnn1C ZINC000019705599 463020943 /nfs/dbraw/zinc/02/09/43/463020943.db2.gz IOHRCNXVHIGNJU-MRXNPFEDSA-N 0 3 341.459 2.205 40 0 EEABHN C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000095393932 463074768 /nfs/dbraw/zinc/07/47/68/463074768.db2.gz TZBHTXAABVQTAM-VSZNYVQBSA-N 0 3 347.503 2.110 40 0 EEABHN Cc1nc(CN2C[C@]3(CCN(Cc4cccnc4)C3)CC2=O)cs1 ZINC000096050917 463154508 /nfs/dbraw/zinc/15/45/08/463154508.db2.gz WFWPRRYVPGAQLE-GOSISDBHSA-N 0 3 342.468 2.471 40 0 EEABHN c1csc(CNC[C@H]2Cn3nnc(-c4ccncc4)c3CO2)c1 ZINC000096069355 463166149 /nfs/dbraw/zinc/16/61/49/463166149.db2.gz OQKUZZUOMMZWNS-ZDUSSCGKSA-N 0 3 327.413 2.090 40 0 EEABHN CC[C@@H](NC(=O)C(C)S(C)(=O)=O)c1ccc(Br)cc1 ZINC000079038585 463181788 /nfs/dbraw/zinc/18/17/88/463181788.db2.gz IQPFOKVYXLBAFD-BXKDBHETSA-N 0 3 348.262 2.450 40 0 EEABHN CCS(=O)(=O)N1CCC(NCc2ccccc2OC(F)F)CC1 ZINC000079121801 463191057 /nfs/dbraw/zinc/19/10/57/463191057.db2.gz RHNUVPLVQXTRSV-UHFFFAOYSA-N 0 3 348.415 2.192 40 0 EEABHN Cn1cc(CN2CCOC[C@@]3(CCN(Cc4cccs4)C3)C2)cn1 ZINC000096202170 463206644 /nfs/dbraw/zinc/20/66/44/463206644.db2.gz WADJGYPUNCUWMU-GOSISDBHSA-N 0 3 346.500 2.206 40 0 EEABHN C[C@H](N)C(=O)N(C1CC1)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079391354 463210092 /nfs/dbraw/zinc/21/00/92/463210092.db2.gz IGBIOXWDAXCXNG-FPMFFAJLSA-N 0 3 325.453 2.161 40 0 EEABHN CCN(C(=O)[C@H](C)N)C1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000079393137 463210862 /nfs/dbraw/zinc/21/08/62/463210862.db2.gz BRMKABLDJUJTOG-OOHWJJMZSA-N 0 3 347.459 2.420 40 0 EEABHN CO[C@H]1CCN(CC2CCOCC2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096209029 463212106 /nfs/dbraw/zinc/21/21/06/463212106.db2.gz VAQROJYIOVDBSQ-ZCNNSNEGSA-N 0 3 345.487 2.029 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CCC[C@H]1CN(C)C(=O)OCc1ccccc1 ZINC000079413176 463212400 /nfs/dbraw/zinc/21/24/00/463212400.db2.gz FKTKVKFAIIBOTO-IRXDYDNUSA-N 0 3 347.459 2.229 40 0 EEABHN CO[C@@H]1CCN(Cc2ccco2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096208756 463212479 /nfs/dbraw/zinc/21/24/79/463212479.db2.gz LECHBCHVVQRTGY-IPMKNSEASA-N 0 3 327.428 2.396 40 0 EEABHN COc1ccc(CN2CC[C@]3(C2)C[C@H](N2CCCC2=O)CCO3)cc1 ZINC000096209552 463214132 /nfs/dbraw/zinc/21/41/32/463214132.db2.gz SUUBZCRSKUIGPX-YLJYHZDGSA-N 0 3 344.455 2.441 40 0 EEABHN Cc1ccc(C(=O)N2CCC[C@]3(C2)COCCN(C(C)C)C3)cn1 ZINC000096228750 463222419 /nfs/dbraw/zinc/22/24/19/463222419.db2.gz FURNQUKTEPDOFX-IBGZPJMESA-N 0 3 331.460 2.353 40 0 EEABHN O=C(c1ccncc1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096245568 463225202 /nfs/dbraw/zinc/22/52/02/463225202.db2.gz YIVMJKTXSOZJJL-CALCHBBNSA-N 0 3 325.387 2.425 40 0 EEABHN CO[C@H](C)c1cccc(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000096434542 463261979 /nfs/dbraw/zinc/26/19/79/463261979.db2.gz YGROJFCMHTYHKI-HZPDHXFCSA-N 0 3 348.491 2.399 40 0 EEABHN CN(C)c1cccc([C@H]2CCCN2CCCS(=O)(=O)N(C)C)c1 ZINC000096441499 463266956 /nfs/dbraw/zinc/26/69/56/463266956.db2.gz YKKLSRYOTWKJPG-QGZVFWFLSA-N 0 3 339.505 2.171 40 0 EEABHN C[C@H]1C[C@@H](NC(=O)NCc2nccn2C)CCN1Cc1ccccc1 ZINC000080114168 463283839 /nfs/dbraw/zinc/28/38/39/463283839.db2.gz MSWFHTKQORVWDB-RDJZCZTQSA-N 0 3 341.459 2.272 40 0 EEABHN Cc1noc(C)c1CN1CC[C@H]2OCC[C@@H](C(=O)NCC3CC3)[C@@H]2C1 ZINC000097953838 463367019 /nfs/dbraw/zinc/36/70/19/463367019.db2.gz XAIYJMKAXGMPBH-BPQIPLTHSA-N 0 3 347.459 2.045 40 0 EEABHN CCN(Cc1ccncc1)C[C@@]1(O)CCN(C(=O)CC2CCCC2)C1 ZINC000257297407 463767616 /nfs/dbraw/zinc/76/76/16/463767616.db2.gz RHDMHIQETPYYHJ-FQEVSTJZSA-N 0 3 345.487 2.447 40 0 EEABHN CN(C)Cc1ccc(C(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 ZINC000257319551 463776392 /nfs/dbraw/zinc/77/63/92/463776392.db2.gz VSZLPIMJXXVCSM-RTBURBONSA-N 0 3 340.423 2.013 40 0 EEABHN COc1ccc(F)cc1C(=O)N1CCO[C@H](c2cc(N)cc(C)n2)C1 ZINC000257344278 463788199 /nfs/dbraw/zinc/78/81/99/463788199.db2.gz ZWKJXHMNMAIGSB-KRWDZBQOSA-N 0 3 345.374 2.334 40 0 EEABHN NC(=O)C1CCN(Cc2cccc(NC[C@H]3CCC=CO3)c2)CC1 ZINC000194097564 463790167 /nfs/dbraw/zinc/79/01/67/463790167.db2.gz HWQIQWXOOBVZHS-GOSISDBHSA-N 0 3 329.444 2.489 40 0 EEABHN O=C1[C@H](N2CCC[C@@H](C3OCCO3)C2)CCCN1c1ccccc1 ZINC000195530344 464071530 /nfs/dbraw/zinc/07/15/30/464071530.db2.gz KRETVSIODLSGEB-NVXWUHKLSA-N 0 3 330.428 2.267 40 0 EEABHN CCS(=O)(=O)N1CCC(N[C@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000195555456 464076018 /nfs/dbraw/zinc/07/60/18/464076018.db2.gz IIRNBDTXWXUIMW-INIZCTEOSA-N 0 3 343.468 2.322 40 0 EEABHN CCc1nn(C)c(OC)c1CN1CCC[C@H](Cc2nccn2C)C1 ZINC000195556671 464076471 /nfs/dbraw/zinc/07/64/71/464076471.db2.gz OJLYAFMJZZDFTD-CQSZACIVSA-N 0 3 331.464 2.179 40 0 EEABHN CN(C)c1cnnc(N2CCN(C(=O)c3ccccc3Cl)CC2)c1 ZINC000224308023 464150374 /nfs/dbraw/zinc/15/03/74/464150374.db2.gz UVBGVSATCZAJQX-UHFFFAOYSA-N 0 3 345.834 2.158 40 0 EEABHN CN(C)c1ncc(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cn1 ZINC000225563945 464172440 /nfs/dbraw/zinc/17/24/40/464172440.db2.gz NGKYUUZYIQXHKF-JKSUJKDBSA-N 0 3 340.431 2.110 40 0 EEABHN Cc1ccc(CS(=O)(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c(F)c1 ZINC000239760976 464444163 /nfs/dbraw/zinc/44/41/63/464444163.db2.gz CIXDFWGMKGGEAY-ZFWWWQNUSA-N 0 3 328.453 2.378 40 0 EEABHN CCO[C@H]1C[C@@H](NCc2ccc(N3CCN(C)CC3)nc2)C12CCC2 ZINC000181456206 464492900 /nfs/dbraw/zinc/49/29/00/464492900.db2.gz INUWZQHDUYOXLF-MSOLQXFVSA-N 0 3 344.503 2.271 40 0 EEABHN COc1ccccc1CN1CCOC[C@H](CC(=O)NCC2CC2)[C@H]1C ZINC000249691586 464904537 /nfs/dbraw/zinc/90/45/37/464904537.db2.gz LUKQJXSFBWPUFN-QAPCUYQASA-N 0 3 346.471 2.448 40 0 EEABHN C[C@H](Nc1ccccc1CN1CCC[C@H](C(N)=O)C1)[C@H]1CCOC1 ZINC000252483610 464961690 /nfs/dbraw/zinc/96/16/90/464961690.db2.gz FFWIURXSHCLECR-XIRDDKMYSA-N 0 3 331.460 2.221 40 0 EEABHN CC(=O)N1CCc2cccc(NC(=O)N(C)[C@@H]3CCN(C)C[C@H]3C)c21 ZINC000253371044 464995284 /nfs/dbraw/zinc/99/52/84/464995284.db2.gz ZWXOCUNDQUYIQS-CXAGYDPISA-N 0 3 344.459 2.400 40 0 EEABHN O=C(C[C@H]1CN(Cc2ccc3ncccc3c2)C[C@@H]1O)N1CCCC1 ZINC000585279061 469004144 /nfs/dbraw/zinc/00/41/44/469004144.db2.gz SEQIANOCTUJCBS-HKUYNNGSSA-N 0 3 339.439 2.040 40 0 EEABHN CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)CN)cc1 ZINC000218602941 536194952 /nfs/dbraw/zinc/19/49/52/536194952.db2.gz OZIFQFHUBZQUSV-IPMKNSEASA-N 0 3 344.480 2.153 40 0 EEABHN CC(C)[N@@H+]1CCc2c(nc([C@@H]3CCCCN3C(=O)C3CC3)[n-]c2=O)C1 ZINC000019448325 202007460 /nfs/dbraw/zinc/00/74/60/202007460.db2.gz GQBZFCJRMVBGFQ-INIZCTEOSA-N 0 3 344.459 2.412 40 0 EEABHN CC(C)[N@H+]1CCc2c(nc([C@@H]3CCCCN3C(=O)C3CC3)[n-]c2=O)C1 ZINC000019448325 202007464 /nfs/dbraw/zinc/00/74/64/202007464.db2.gz GQBZFCJRMVBGFQ-INIZCTEOSA-N 0 3 344.459 2.412 40 0 EEABHN CCCn1c2ccccc2nc1CN1C[C@@H]2C[C@@H](O)CN2C[C@@H]1C ZINC000019526010 202010457 /nfs/dbraw/zinc/01/04/57/202010457.db2.gz FEJRJQUCGORUBE-HRCADAONSA-N 0 3 328.460 2.086 40 0 EEABHN COc1cccc(C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)c1 ZINC000019564727 202011110 /nfs/dbraw/zinc/01/11/10/202011110.db2.gz BGEMBKRZPKIKAS-KRWDZBQOSA-N 0 3 338.411 2.108 40 0 EEABHN CC(C)N(CCNC(=O)C(=O)Nc1cccc2[nH]ccc21)C1CC1 ZINC000077748077 202392775 /nfs/dbraw/zinc/39/27/75/202392775.db2.gz IMPMQLWEJUIIDD-UHFFFAOYSA-N 0 3 328.416 2.095 40 0 EEABHN CN(C)C[C@H]1CSCCCN1C(=O)Cc1noc2ccccc21 ZINC000090699693 203004503 /nfs/dbraw/zinc/00/45/03/203004503.db2.gz XVYLFGQXKUEAPV-ZDUSSCGKSA-N 0 3 333.457 2.266 40 0 EEABHN CCc1nc2c(s1)[C@H](NC[C@H]1CCCN1S(C)(=O)=O)CCC2 ZINC000090799561 203030968 /nfs/dbraw/zinc/03/09/68/203030968.db2.gz NKGYOKGXZXXZAK-VXGBXAGGSA-N 0 3 343.518 2.097 40 0 EEABHN NCC(=O)N1CCC(c2nccnc2Oc2ccccc2F)CC1 ZINC000072363206 203206512 /nfs/dbraw/zinc/20/65/12/203206512.db2.gz FQQUZIIFAYUFHW-UHFFFAOYSA-N 0 3 330.363 2.073 40 0 EEABHN Cc1ncsc1CN1CCC2(CC1)C[C@H](NC(=O)C1CC1)CCO2 ZINC000108535699 204267013 /nfs/dbraw/zinc/26/70/13/204267013.db2.gz FABHKDVXPWKVHX-OAHLLOKOSA-N 0 3 349.500 2.491 40 0 EEABHN CC[C@@H](NC(=O)C(C)S(C)(=O)=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000095396401 218328319 /nfs/dbraw/zinc/32/83/19/218328319.db2.gz LXNAXXBGOBJLIM-BXUZGUMPSA-N 0 3 339.457 2.401 40 0 EEABHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCSC2(CCOCC2)C1 ZINC000185813351 279124825 /nfs/dbraw/zinc/12/48/25/279124825.db2.gz SJQGMPLXYHBZKT-OAHLLOKOSA-N 0 3 343.537 2.270 40 0 EEABHN Cc1ccc(-c2nc(N(C)CCN(C)C)ncc2-c2cnccn2)o1 ZINC000012337104 462850216 /nfs/dbraw/zinc/85/02/16/462850216.db2.gz AORMRFXWLJMZJO-UHFFFAOYSA-N 0 3 338.415 2.500 40 0 EEABHN COc1cc2c(cc1C[N@@H+]1CCc3nc(C)[n-]c(=O)c3CC1)CCC2 ZINC000019286423 463015699 /nfs/dbraw/zinc/01/56/99/463015699.db2.gz MDBCSVAJQNXLQC-UHFFFAOYSA-N 0 3 339.439 2.176 40 0 EEABHN COc1cc2c(cc1C[N@H+]1CCc3nc(C)[n-]c(=O)c3CC1)CCC2 ZINC000019286423 463015706 /nfs/dbraw/zinc/01/57/06/463015706.db2.gz MDBCSVAJQNXLQC-UHFFFAOYSA-N 0 3 339.439 2.176 40 0 EEABHN CC(=O)N1CSC[C@@H]1C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000078771893 463147523 /nfs/dbraw/zinc/14/75/23/463147523.db2.gz XFTITTLWGWGEJK-XJKSGUPXSA-N 0 3 349.500 2.153 40 0 EEABHN Cc1ccc(CN2CCC[C@@]3(C2)COCCN(c2cnccn2)C3)o1 ZINC000096049634 463153735 /nfs/dbraw/zinc/15/37/35/463153735.db2.gz KPTLDIFBWUKFMP-IBGZPJMESA-N 0 3 342.443 2.497 40 0 EEABHN c1cncc(CN2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC000096055167 463156690 /nfs/dbraw/zinc/15/66/90/463156690.db2.gz LBWYIVFYBYPJGZ-WOJBJXKFSA-N 0 3 338.455 2.200 40 0 EEABHN O=C(NC[C@]12COC[C@H]1CN(Cc1ccco1)C2)c1ccccc1 ZINC000096108495 463177431 /nfs/dbraw/zinc/17/74/31/463177431.db2.gz AQGBSFLQSCWPHJ-APWZRJJASA-N 0 3 326.396 2.158 40 0 EEABHN Cc1nn(C)c(C)c1C(=O)C(=O)Nc1cnccc1N1CCCCC1 ZINC000079041133 463182910 /nfs/dbraw/zinc/18/29/10/463182910.db2.gz REHVMJQUKIEBPP-UHFFFAOYSA-N 0 3 341.415 2.244 40 0 EEABHN O=C(c1cccnc1)N1C[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2C1 ZINC000096182242 463194455 /nfs/dbraw/zinc/19/44/55/463194455.db2.gz BKSKGDPSHMUDFQ-CALCHBBNSA-N 0 3 325.387 2.425 40 0 EEABHN O=C(C[C@H]1OC[C@H]2CN(Cc3ccccc3F)CC[C@@H]12)N1CCCO1 ZINC000096216895 463215211 /nfs/dbraw/zinc/21/52/11/463215211.db2.gz MKRURGYIHOMYEG-JFIYKMOQSA-N 0 3 348.418 2.217 40 0 EEABHN CN1CCOC[C@@]2(CCCN(C(=O)c3cc4ccccc4[nH]3)C2)C1 ZINC000096228713 463221833 /nfs/dbraw/zinc/22/18/33/463221833.db2.gz LORPLKQJCNXETK-IBGZPJMESA-N 0 3 327.428 2.352 40 0 EEABHN C[C@@H](CNC(=O)Nc1cc(F)c(F)cc1F)CN1CCN(C)CC1 ZINC000096434670 463261964 /nfs/dbraw/zinc/26/19/64/463261964.db2.gz BNKUMHNRWYWPOE-NSHDSACASA-N 0 3 344.381 2.109 40 0 EEABHN CN(C)CCOc1ccccc1CNC(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000096439576 463266307 /nfs/dbraw/zinc/26/63/07/463266307.db2.gz OTUZLCDRHFHERE-IYBDPMFKSA-N 0 3 331.460 2.424 40 0 EEABHN Cc1ccccc1C(=O)NC1CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000096483272 463282305 /nfs/dbraw/zinc/28/23/05/463282305.db2.gz JJPVPOBGACSSKI-KRWDZBQOSA-N 0 3 348.487 2.365 40 0 EEABHN Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3ccncc3)CCO2)n1 ZINC000257335630 463782721 /nfs/dbraw/zinc/78/27/21/463782721.db2.gz YLCYMYJKIMAZRY-KRWDZBQOSA-N 0 3 326.400 2.065 40 0 EEABHN C[C@]1(COc2cccnc2)C[C@@H]2CN(Cc3cnc[nH]3)CC[C@@H]2O1 ZINC000257333336 463783399 /nfs/dbraw/zinc/78/33/99/463783399.db2.gz YBDRZIDAVPVICI-FHLIZLRMSA-N 0 3 328.416 2.253 40 0 EEABHN CNc1ncccc1CN1CCC[C@H](Cc2nccnc2NC)C1 ZINC000257339753 463785655 /nfs/dbraw/zinc/78/56/55/463785655.db2.gz ZDAQQZLPDIVIGN-CQSZACIVSA-N 0 3 326.448 2.410 40 0 EEABHN CSCC[C@H](N)C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000195543750 464074725 /nfs/dbraw/zinc/07/47/25/464074725.db2.gz IHLKNFRMDDSJRB-HNNXBMFYSA-N 0 3 341.908 2.065 40 0 EEABHN COC(=O)c1cc(Cl)cc(NC(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000172427802 464078375 /nfs/dbraw/zinc/07/83/75/464078375.db2.gz MOWYZBXKOZZJCR-AWEZNQCLSA-N 0 3 337.807 2.439 40 0 EEABHN CSc1ccccc1S(=O)(=O)N(C)CC1CCN(C)CC1 ZINC000195571808 464078913 /nfs/dbraw/zinc/07/89/13/464078913.db2.gz ZWVXSUJNKMBWBA-UHFFFAOYSA-N 0 3 328.503 2.371 40 0 EEABHN CCc1ccc(C(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1 ZINC000224309339 464150798 /nfs/dbraw/zinc/15/07/98/464150798.db2.gz SBGXSVIVNLEGGR-UHFFFAOYSA-N 0 3 339.443 2.067 40 0 EEABHN Cc1ccccc1NC(=O)N1CCN(c2cc(N(C)C)cnn2)CC1 ZINC000224312860 464151544 /nfs/dbraw/zinc/15/15/44/464151544.db2.gz CEJXRVJKNZQXAK-UHFFFAOYSA-N 0 3 340.431 2.205 40 0 EEABHN Brc1cccc(N2CCN(CCC3OCCO3)CC2)c1 ZINC000284809462 464348375 /nfs/dbraw/zinc/34/83/75/464348375.db2.gz QDGLUQXYOHPPLS-UHFFFAOYSA-N 0 3 341.249 2.334 40 0 EEABHN CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H](N(C)C(=O)OC(C)(C)C)CC1 ZINC000252517662 464979133 /nfs/dbraw/zinc/97/91/33/464979133.db2.gz OHSIXMJTPZUKHQ-IHRRRGAJSA-N 0 3 327.469 2.264 40 0 EEABHN CCN1CCCC[C@H]1CNc1cc(C)c(F)cc1S(N)(=O)=O ZINC000585141580 468991287 /nfs/dbraw/zinc/99/12/87/468991287.db2.gz CXUTWRIJCXLWJN-LBPRGKRZSA-N 0 3 329.441 2.068 40 0 EEABHN CC(=O)N1CCC(N2CC[C@@H](O)[C@H](Cc3ccccc3F)C2)CC1 ZINC000585275522 468998629 /nfs/dbraw/zinc/99/86/29/468998629.db2.gz CFRASTRGVCWVHT-VQIMIIECSA-N 0 3 334.435 2.062 40 0 EEABHN CO[C@H]1CCCN(Cc2c(C)n[nH]c2C)[C@H]1CCC(=O)N1CCCC1 ZINC000585276014 469000766 /nfs/dbraw/zinc/00/07/66/469000766.db2.gz KXAFSFPOBYAKQV-ROUUACIJSA-N 0 3 348.491 2.409 40 0 EEABHN Cc1cc(COCC(=O)N2C[C@@H](N(C)C)Cc3ccccc32)no1 ZINC001548453685 1110501188 /nfs/dbraw/zinc/50/11/88/1110501188.db2.gz BESYXSOMYWHGNH-INIZCTEOSA-N 0 3 329.400 2.019 40 0 EEABHN CC(C)N(C(=O)OCc1ccccc1)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000100177858 219093396 /nfs/dbraw/zinc/09/33/96/219093396.db2.gz UUVNEFRGHOGDSQ-CALCHBBNSA-N 0 3 347.459 2.420 40 0 EEABHN FC(F)n1ccnc1CCNCc1ccccc1N1CCOCC1 ZINC000066992065 215101655 /nfs/dbraw/zinc/10/16/55/215101655.db2.gz VXUUCENSTFTJTB-UHFFFAOYSA-N 0 3 336.386 2.447 40 0 EEABHN Cc1ccn(C)c(=O)c1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000189718656 237180107 /nfs/dbraw/zinc/18/01/07/237180107.db2.gz TVLRZIIMRUIOFQ-NVXWUHKLSA-N 0 3 340.427 2.261 40 0 EEABHN COC[C@@]1(CN)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218559275 241330652 /nfs/dbraw/zinc/33/06/52/241330652.db2.gz QOLBHTYYYIAOBA-BZSNNMDCSA-N 0 3 349.427 2.357 40 0 EEABHN Cc1ncccc1CN1CCC(C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000091921831 203077865 /nfs/dbraw/zinc/07/78/65/203077865.db2.gz VDHRHOKJLANSSK-GJZGRUSLSA-N 0 3 331.460 2.238 40 0 EEABHN CCOc1cc(CN2CC[C@]3(C2)COCc2cncnc23)ccc1O ZINC000253385037 276369656 /nfs/dbraw/zinc/36/96/56/276369656.db2.gz RAHVVPCBDIZTAU-IBGZPJMESA-N 0 3 341.411 2.255 40 0 EEABHN CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079393263 280275471 /nfs/dbraw/zinc/27/54/71/280275471.db2.gz WBJLNNWKBNASRJ-BBWFWOEESA-N 0 3 347.459 2.324 40 0 EEABHN Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)C2(CN)CN)cc1 ZINC000218362376 280971142 /nfs/dbraw/zinc/97/11/42/280971142.db2.gz WDKGXTJYRVGMQN-QZTJIDSGSA-N 0 3 344.480 2.147 40 0 EEABHN NCC(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(Cl)c1 ZINC000257329060 303365280 /nfs/dbraw/zinc/36/52/80/303365280.db2.gz XIFAGKIEMPFSKD-CQSZACIVSA-N 0 3 345.834 2.392 40 0 EEABHN CN1CCC(NC(=O)CCn2nc(C(F)(F)F)cc2C2CC2)CC1 ZINC000002779645 462601665 /nfs/dbraw/zinc/60/16/65/462601665.db2.gz LAINATYMQLERIJ-UHFFFAOYSA-N 0 3 344.381 2.380 40 0 EEABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21)N1CCCO1 ZINC000096057308 463158037 /nfs/dbraw/zinc/15/80/37/463158037.db2.gz VIAIYGICYNMSDP-NUJGCVRESA-N 0 3 348.418 2.074 40 0 EEABHN Cn1cc(CN2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)cn1 ZINC000096073167 463167140 /nfs/dbraw/zinc/16/71/40/463167140.db2.gz AACXGOCBDISFTF-GOSISDBHSA-N 0 3 342.443 2.155 40 0 EEABHN CCOC(=O)[C@@H]1CCCN(C[C@@H](O)COc2ccccc2Cl)C1 ZINC000026919752 463176550 /nfs/dbraw/zinc/17/65/50/463176550.db2.gz QYSZQHCAOHQUST-ZIAGYGMSSA-N 0 3 341.835 2.355 40 0 EEABHN CCS(=O)(=O)N1CCC2(CCN(Cc3ccccn3)CC2)CC1 ZINC000096158393 463189448 /nfs/dbraw/zinc/18/94/48/463189448.db2.gz JTLXRXYHLASTRZ-UHFFFAOYSA-N 0 3 337.489 2.109 40 0 EEABHN Cc1cnc(C(=O)N2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)cn1 ZINC000096161558 463192254 /nfs/dbraw/zinc/19/22/54/463192254.db2.gz WYBFPONYRMVYAW-OKILXGFUSA-N 0 3 328.441 2.051 40 0 EEABHN c1cc(CNC[C@@H]2Cn3nnc(-c4ccncc4)c3CO2)cs1 ZINC000096199250 463204389 /nfs/dbraw/zinc/20/43/89/463204389.db2.gz ARTSGVGTBBPCHR-CQSZACIVSA-N 0 3 327.413 2.090 40 0 EEABHN Cc1ncsc1CN1CC[C@]2(C1)C[C@H](Nc1ncccn1)CCO2 ZINC000096206051 463208487 /nfs/dbraw/zinc/20/84/87/463208487.db2.gz UPHKOACPTBECQO-RHSMWYFYSA-N 0 3 345.472 2.477 40 0 EEABHN CCN(C[C@@H]1CCCCN1C(=O)[C@H](C)N)C(=O)OCc1ccccc1 ZINC000079412902 463211631 /nfs/dbraw/zinc/21/16/31/463211631.db2.gz MZBKLERWMVWEIN-RDJZCZTQSA-N 0 3 347.459 2.373 40 0 EEABHN COCCN1CC[C@H](NC(=O)N[C@H](C)c2ccc(Cl)cc2)C1 ZINC000096413261 463246089 /nfs/dbraw/zinc/24/60/89/463246089.db2.gz JQUPKMHMWFQWSW-DOMZBBRYSA-N 0 3 325.840 2.421 40 0 EEABHN O=C(C1CCN(C/C=C/c2ccc(F)cc2)CC1)N1CCOCC1 ZINC000096489471 463285190 /nfs/dbraw/zinc/28/51/90/463285190.db2.gz LNQGLJSOFPROHU-OWOJBTEDSA-N 0 3 332.419 2.410 40 0 EEABHN CCN1CCC(NC(=O)N2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC000096494024 463288258 /nfs/dbraw/zinc/28/82/58/463288258.db2.gz XNQSVHPWMCVZCT-SFHVURJKSA-N 0 3 331.460 2.124 40 0 EEABHN COc1cccc(N2CCC[C@H](N[C@H](C)Cn3cccn3)C2=O)c1 ZINC000138487731 463309712 /nfs/dbraw/zinc/30/97/12/463309712.db2.gz RJTCZFLHPRZPIC-PBHICJAKSA-N 0 3 328.416 2.065 40 0 EEABHN Cc1cc(N2CCS(=O)(=O)CC2)c2cc(OC(F)F)ccc2n1 ZINC000084927274 463636982 /nfs/dbraw/zinc/63/69/82/463636982.db2.gz REODUINARCOEGC-UHFFFAOYSA-N 0 3 342.367 2.379 40 0 EEABHN CC(=O)N1CC2(CCN(Cc3ccccn3)CC2)C[C@H](O)C1(C)C ZINC000257319037 463775939 /nfs/dbraw/zinc/77/59/39/463775939.db2.gz VQKOWMQIANTIAZ-KRWDZBQOSA-N 0 3 331.460 2.056 40 0 EEABHN Nc1nccnc1C[C@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000257343890 463787076 /nfs/dbraw/zinc/78/70/76/463787076.db2.gz ZUTWOOMDLIPLSU-CQSZACIVSA-N 0 3 340.427 2.285 40 0 EEABHN NC(=O)C1CCN(Cc2cccc(NC[C@@H]3CCC=CO3)c2)CC1 ZINC000194097548 463789961 /nfs/dbraw/zinc/78/99/61/463789961.db2.gz HWQIQWXOOBVZHS-SFHVURJKSA-N 0 3 329.444 2.489 40 0 EEABHN C[C@H](CCc1cccc(F)c1)N1CCCN(CC(=O)N(C)C)CC1 ZINC000195558398 464075863 /nfs/dbraw/zinc/07/58/63/464075863.db2.gz BNTBEUJVJYLXKP-MRXNPFEDSA-N 0 3 335.467 2.243 40 0 EEABHN CC[S@](=O)[C@H]1CCCC[C@@H]1NC1CN(C(=O)OC(C)(C)C)C1 ZINC000195573161 464078768 /nfs/dbraw/zinc/07/87/68/464078768.db2.gz GZEJNDTXMIZIHZ-OKHZJLECSA-N 0 3 330.494 2.275 40 0 EEABHN CC[C@H](CNC(=O)NC[C@H]1CC[C@H](O)C1)N1CCc2ccccc2C1 ZINC000230472749 464204459 /nfs/dbraw/zinc/20/44/59/464204459.db2.gz VLVRQJQHJIPWCC-IPELMVKDSA-N 0 3 345.487 2.284 40 0 EEABHN Cc1ccc(CN2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)o1 ZINC000248102890 464729852 /nfs/dbraw/zinc/72/98/52/464729852.db2.gz OFMSMMDLIZTAPY-PKOBYXMFSA-N 0 3 327.428 2.458 40 0 EEABHN CC1=C(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCCO1 ZINC000192231909 464890816 /nfs/dbraw/zinc/89/08/16/464890816.db2.gz PXVAKAGVICOYJF-GOSISDBHSA-N 0 3 344.455 2.478 40 0 EEABHN C[C@H](Nc1ccccc1CN1CCC[C@H](C(N)=O)C1)[C@@H]1CCOC1 ZINC000252483607 464962274 /nfs/dbraw/zinc/96/22/74/464962274.db2.gz FFWIURXSHCLECR-BHYGNILZSA-N 0 3 331.460 2.221 40 0 EEABHN CN(C)C[C@H](NC(=O)NCc1cccnn1)c1ccc(Cl)cc1 ZINC000253393145 464999097 /nfs/dbraw/zinc/99/90/97/464999097.db2.gz VDMKQCQLYORIDL-HNNXBMFYSA-N 0 3 333.823 2.232 40 0 EEABHN Cc1ccnc(O[C@@H]2Cn3cccc3CN(CC3CCOCC3)C2)n1 ZINC000253478753 465016227 /nfs/dbraw/zinc/01/62/27/465016227.db2.gz MXZZMPYWJVRTJL-SFHVURJKSA-N 0 3 342.443 2.276 40 0 EEABHN CN1CC[C@@]12CCCN(C(=O)c1ccc(NC(=O)C3CC3)cc1)C2 ZINC000585102244 468970145 /nfs/dbraw/zinc/97/01/45/468970145.db2.gz VDISGTMUPOFJLG-LJQANCHMSA-N 0 3 327.428 2.345 40 0 EEABHN COCCN1C[C@H]2c3ccccc3[C@@H](NC(=O)c3cc(C)on3)[C@H]2C1 ZINC000585109762 468973703 /nfs/dbraw/zinc/97/37/03/468973703.db2.gz QJJHNZBVRBPBGU-XYJFISCASA-N 0 3 341.411 2.130 40 0 EEABHN COc1ccc([C@H]2CNCCN2Cc2cccc(OCCO)c2)cc1 ZINC000585182294 468996295 /nfs/dbraw/zinc/99/62/95/468996295.db2.gz YZWKZCINQHTKID-HXUWFJFHSA-N 0 3 342.439 2.213 40 0 EEABHN COc1ccc2ccccc2c1CN1CC[C@H](O)[C@@H](NC(C)=O)CC1 ZINC000257262168 537043025 /nfs/dbraw/zinc/04/30/25/537043025.db2.gz LKJYWZVMJMLTHW-OALUTQOASA-N 0 3 342.439 2.310 40 0 EEABHN Cc1nc2c(c(=O)[nH]1)CCN(Cc1ccc3c(c1)C[C@@H](C)O3)CC2 ZINC000019286439 202002096 /nfs/dbraw/zinc/00/20/96/202002096.db2.gz BUBHYRBUKHQOCE-GFCCVEGCSA-N 0 3 325.412 2.003 40 0 EEABHN COc1cc(CN2CCC(O)(Cn3ccnc3C)CC2)cc(OC)c1 ZINC000019287959 202002893 /nfs/dbraw/zinc/00/28/93/202002893.db2.gz IGCOGTVAAHVTIR-UHFFFAOYSA-N 0 3 345.443 2.236 40 0 EEABHN CCC(CC)C(=O)N1CCC(c2nc3c(c(=O)[n-]2)CC[N@H+](C)C3)CC1 ZINC000019500119 202008137 /nfs/dbraw/zinc/00/81/37/202008137.db2.gz DZKCIOLQTVXYLG-UHFFFAOYSA-N 0 3 346.475 2.312 40 0 EEABHN CCC(CC)C(=O)N1CCC(c2nc3c(c(=O)[n-]2)CC[N@@H+](C)C3)CC1 ZINC000019500119 202008139 /nfs/dbraw/zinc/00/81/39/202008139.db2.gz DZKCIOLQTVXYLG-UHFFFAOYSA-N 0 3 346.475 2.312 40 0 EEABHN COc1nn(C)cc1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000038584426 202141754 /nfs/dbraw/zinc/14/17/54/202141754.db2.gz CBXHOSOYJGRUFV-UHFFFAOYSA-N 0 3 348.472 2.132 40 0 EEABHN CO[C@H]1CC[C@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000187862088 236320425 /nfs/dbraw/zinc/32/04/25/236320425.db2.gz NULMVCYXICDMKD-ROUUACIJSA-N 0 3 331.460 2.471 40 0 EEABHN Cc1cc(C(=O)Nc2ccc(CCN3CCC(O)CC3)cc2)on1 ZINC000075415948 202380886 /nfs/dbraw/zinc/38/08/86/202380886.db2.gz GNXMPPHBBQWLHS-UHFFFAOYSA-N 0 3 329.400 2.235 40 0 EEABHN CN(C)c1cncc(C2CCN(C(=O)[C@@]3(C)CCCCN3C)CC2)n1 ZINC000072367358 203207791 /nfs/dbraw/zinc/20/77/91/203207791.db2.gz OOWWJALTUXNUEL-LJQANCHMSA-N 0 3 345.491 2.123 40 0 EEABHN Cc1cccc(CN2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)n1 ZINC000096108992 203837024 /nfs/dbraw/zinc/83/70/24/203837024.db2.gz AVSGZKZCMWKJIG-XLIONFOSSA-N 0 3 339.439 2.450 40 0 EEABHN Cc1cccc(CN2C(=O)CCC23CCN([C@H]2CCOC2)CC3)n1 ZINC000096228301 203877228 /nfs/dbraw/zinc/87/72/28/203877228.db2.gz KCWWUIKUMYJITD-KRWDZBQOSA-N 0 3 329.444 2.136 40 0 EEABHN CCN(C[C@@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1)C(=O)OC(C)(C)C ZINC000079410195 285022700 /nfs/dbraw/zinc/02/27/00/285022700.db2.gz ACKXXGDIJODERQ-GJZGRUSLSA-N 0 3 341.496 2.465 40 0 EEABHN Cc1csc2nc(CN3CCC[C@@H](C4(C)OCCO4)C3)cc(=O)n12 ZINC000097372244 219016813 /nfs/dbraw/zinc/01/68/13/219016813.db2.gz LIHFOWDHLHQTDV-CYBMUJFWSA-N 0 3 349.456 2.039 40 0 EEABHN CNC(=S)N(CCN(C)C)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004133556 277019858 /nfs/dbraw/zinc/01/98/58/277019858.db2.gz FIGMGDZHVOJRQS-UHFFFAOYSA-N 0 3 346.500 2.013 40 0 EEABHN Cc1ccc(C(=O)N2C[C@@H](N3CCCC3)[C@H]3OCCC[C@H]3C2)cn1 ZINC000096040599 280773833 /nfs/dbraw/zinc/77/38/33/280773833.db2.gz ZWOZAQUASNTFGC-KSZLIROESA-N 0 3 329.444 2.105 40 0 EEABHN CC(C)c1noc(CCCNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)n1 ZINC000096499738 323320334 /nfs/dbraw/zinc/32/03/34/323320334.db2.gz UTQPGIPFBKSZNG-HUUCEWRRSA-N 0 3 349.479 2.251 40 0 EEABHN COc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1C ZINC000010278603 462816373 /nfs/dbraw/zinc/81/63/73/462816373.db2.gz LDCAILIZGODJLE-UHFFFAOYSA-N 0 3 326.462 2.158 40 0 EEABHN Cc1ccc([C@@H](CNC(=O)c2cnc(N(C)C)nc2C)N(C)C)cc1 ZINC000019136537 463013821 /nfs/dbraw/zinc/01/38/21/463013821.db2.gz LSQNQTDLSQCCBL-QGZVFWFLSA-N 0 3 341.459 2.192 40 0 EEABHN COc1ccc(CN2CCC[C@]3(CO[C@H](C(=O)N(C)C)C3)C2)cc1 ZINC000096048888 463153538 /nfs/dbraw/zinc/15/35/38/463153538.db2.gz STFJCEPUKNEIAV-PKOBYXMFSA-N 0 3 332.444 2.155 40 0 EEABHN Cc1cccc(CO[C@@H]2C[C@H]3CN(Cc4cccnc4)CCN3C2)n1 ZINC000096055100 463156607 /nfs/dbraw/zinc/15/66/07/463156607.db2.gz JHSKCFRKXVGIKY-VQTJNVASSA-N 0 3 338.455 2.260 40 0 EEABHN O=C(c1cccnc1)N1CCCC2(CCN([C@@H]3CCOC3)CC2)C1 ZINC000096063030 463162378 /nfs/dbraw/zinc/16/23/78/463162378.db2.gz BOHYNGQYRHIDMI-QGZVFWFLSA-N 0 3 329.444 2.189 40 0 EEABHN Cn1cc(CN2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)cn1 ZINC000096100322 463172685 /nfs/dbraw/zinc/17/26/85/463172685.db2.gz GIXGYMJBOSZHJV-HXUWFJFHSA-N 0 3 336.439 2.320 40 0 EEABHN CO[C@H]1CCN(Cc2cc(C)on2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096109468 463178498 /nfs/dbraw/zinc/17/84/98/463178498.db2.gz AEHLFJLKCVVGAX-OTWHNJEPSA-N 0 3 342.443 2.099 40 0 EEABHN C[C@H](NC1(CNC(=O)[C@H]2CCCO2)CCOCC1)c1ccccc1 ZINC000079096473 463188089 /nfs/dbraw/zinc/18/80/89/463188089.db2.gz JPTALMXOVCFHSQ-DOTOQJQBSA-N 0 3 332.444 2.182 40 0 EEABHN CN(C)CC(=O)N1CCC2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC000096157592 463188563 /nfs/dbraw/zinc/18/85/63/463188563.db2.gz IGKDQXGNMLMYNI-UHFFFAOYSA-N 0 3 333.451 2.202 40 0 EEABHN Cn1cc([C@H]2CC(=O)NC23CCN(Cc2ccsc2)CC3)cn1 ZINC000096199760 463206268 /nfs/dbraw/zinc/20/62/68/463206268.db2.gz BPYXZNFMKTYNLM-OAHLLOKOSA-N 0 3 330.457 2.120 40 0 EEABHN Cc1nc(N2CCOCC2)nc2c1CCN(Cc1ccsc1)CC2 ZINC000096254562 463228208 /nfs/dbraw/zinc/22/82/08/463228208.db2.gz YYFFXYPGOIAAGU-UHFFFAOYSA-N 0 3 344.484 2.284 40 0 EEABHN Cc1ccc(NC(=O)CCc2cnn(C)c2)c(OCCN(C)C)c1 ZINC000096414005 463246798 /nfs/dbraw/zinc/24/67/98/463246798.db2.gz BWVCILRZAJVCOY-UHFFFAOYSA-N 0 3 330.432 2.240 40 0 EEABHN O=C(NCCc1cc2ccccc2o1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000096417728 463249728 /nfs/dbraw/zinc/24/97/28/463249728.db2.gz NNHWDKPMCVOXGN-NVXWUHKLSA-N 0 3 343.427 2.138 40 0 EEABHN N=C(N=O)C1=CCN(CCCCN2C=CC(C(=N)N=O)=CC2)C=C1 ZINC000136643696 463250471 /nfs/dbraw/zinc/25/04/71/463250471.db2.gz KPNRQUUIJWHQBI-UHFFFAOYSA-N 0 3 328.376 2.326 40 0 EEABHN CN(Cc1ccncc1)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000096427111 463256663 /nfs/dbraw/zinc/25/66/63/463256663.db2.gz MOIKZVUFOOVDCW-UHFFFAOYSA-N 0 3 338.455 2.252 40 0 EEABHN CC[C@](C)(NC(=O)Nc1ccn(CCN(C)C)n1)c1nccs1 ZINC000096435368 463263733 /nfs/dbraw/zinc/26/37/33/463263733.db2.gz SDUXGHIJOFGBFF-HNNXBMFYSA-N 0 3 336.465 2.348 40 0 EEABHN CS(=O)(=O)N1CCC[C@@H](CN2CCCc3sccc3C2)C1 ZINC000096461284 463276807 /nfs/dbraw/zinc/27/68/07/463276807.db2.gz JKRLNOYGHOCPOE-ZDUSSCGKSA-N 0 3 328.503 2.168 40 0 EEABHN CC1CCN(CC(=O)Nc2ccccc2CN2CCC(O)CC2)CC1 ZINC000096492482 463287853 /nfs/dbraw/zinc/28/78/53/463287853.db2.gz GUSAWCFEBPBWOO-UHFFFAOYSA-N 0 3 345.487 2.314 40 0 EEABHN CC(C)(CN[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)S(C)(=O)=O ZINC000096494403 463288933 /nfs/dbraw/zinc/28/89/33/463288933.db2.gz XSCPCLRMAVVEGC-NSHDSACASA-N 0 3 348.871 2.471 40 0 EEABHN Cc1cc(CNC(=O)CCN2CCN(c3cccc(C)c3)CC2)no1 ZINC000081007343 463381811 /nfs/dbraw/zinc/38/18/11/463381811.db2.gz ZZCAGMGUACFQNO-UHFFFAOYSA-N 0 3 342.443 2.120 40 0 EEABHN COc1cccc(C(=O)N2CCO[C@H](c3cc(N)cc(C)n3)C2)c1 ZINC000257339221 463784286 /nfs/dbraw/zinc/78/42/86/463784286.db2.gz ZATPOTLMKIFMQT-KRWDZBQOSA-N 0 3 327.384 2.195 40 0 EEABHN CC[C@H](CO)N[C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000195561760 464077992 /nfs/dbraw/zinc/07/79/92/464077992.db2.gz CVLKSEKSMSCOQX-OIISXLGYSA-N 0 3 325.474 2.440 40 0 EEABHN Cc1cc2nnc(SCCCN3CCN(C(C)C)CC3)n2c(C)n1 ZINC000188295821 464246701 /nfs/dbraw/zinc/24/67/01/464246701.db2.gz WAIKIFASFQZQFD-UHFFFAOYSA-N 0 3 348.520 2.249 40 0 EEABHN COCc1noc(CN2CCN(C[C@@H]3C(C)=CCC[C@@H]3C)CC2)n1 ZINC000191133769 464781805 /nfs/dbraw/zinc/78/18/05/464781805.db2.gz KOMBCTYHOQQWLO-JKSUJKDBSA-N 0 3 334.464 2.326 40 0 EEABHN Cn1nncc1CN[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000253430693 465013415 /nfs/dbraw/zinc/01/34/15/465013415.db2.gz NHRRYAQVGPNXOU-LLVKDONJSA-N 0 3 325.338 2.202 40 0 EEABHN CCc1nnsc1C(=O)N1CC[C@H](c2cc(NC)cc(C)n2)C1 ZINC000257205866 535867548 /nfs/dbraw/zinc/86/75/48/535867548.db2.gz BAXGXVVIEQRXCW-NSHDSACASA-N 0 3 331.445 2.475 40 0 EEABHN O=C(Cc1ccc(F)cc1)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019333375 202003771 /nfs/dbraw/zinc/00/37/71/202003771.db2.gz UZVPNKIDNSWXDQ-QGZVFWFLSA-N 0 3 340.402 2.168 40 0 EEABHN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(F)cc3)[C@@]2(CN)CO)cc1 ZINC000218501607 241326990 /nfs/dbraw/zinc/32/69/90/241326990.db2.gz OUXRPUDVMCRVIM-FGTMMUONSA-N 0 3 349.427 2.011 40 0 EEABHN CN(C)C[C@@H]1CN(C(=O)CC2Cc3ccccc3C2)Cc2ccnn21 ZINC000248094419 243523533 /nfs/dbraw/zinc/52/35/33/243523533.db2.gz GGKXNOMOPPSREW-LJQANCHMSA-N 0 3 338.455 2.133 40 0 EEABHN CNc1cc(C)nc([C@H]2CN(C(=O)CCCn3ccnc3)CCO2)c1 ZINC000257242552 244248499 /nfs/dbraw/zinc/24/84/99/244248499.db2.gz IDBVFGQLXZWVEL-QGZVFWFLSA-N 0 3 343.431 2.009 40 0 EEABHN CN(C)Cc1cnc(CC2CCN(Cc3cccn3C)CC2)cn1 ZINC000257257514 244287815 /nfs/dbraw/zinc/28/78/15/244287815.db2.gz KPYUBEZGRDSRFK-UHFFFAOYSA-N 0 3 327.476 2.331 40 0 EEABHN COCCN1CC[C@]2(CCCN(Cc3ncccc3C)CC2)C1=O ZINC000108525787 204265019 /nfs/dbraw/zinc/26/50/19/204265019.db2.gz OIGGGZRMUZGYBW-LJQANCHMSA-N 0 3 331.460 2.241 40 0 EEABHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)Nc1cccc(Cl)c1F ZINC000134063255 205390874 /nfs/dbraw/zinc/39/08/74/205390874.db2.gz UYIYYHTUMMBTCY-LLVKDONJSA-N 0 3 341.814 2.218 40 0 EEABHN O=C(NCCc1ccccn1)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000096450135 218833548 /nfs/dbraw/zinc/83/35/48/218833548.db2.gz JUQWJWZWIPFUDU-LZLYRXPVSA-N 0 3 328.460 2.140 40 0 EEABHN C[C@@H](NC(=O)NCC1CCN(c2ccncc2)CC1)c1cnn(C)c1 ZINC000093127294 533157628 /nfs/dbraw/zinc/15/76/28/533157628.db2.gz QKJYGEJYJGCBFW-CQSZACIVSA-N 0 3 342.447 2.092 40 0 EEABHN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)n1C ZINC000223261010 301845732 /nfs/dbraw/zinc/84/57/32/301845732.db2.gz DNSKKUNCEAMLIC-SJORKVTESA-N 0 3 343.500 2.263 40 0 EEABHN C[C@@H](NC[C@H](O)COc1ccccc1)[C@@H]1COc2ccccc2O1 ZINC000004025043 462627036 /nfs/dbraw/zinc/62/70/36/462627036.db2.gz CZLWUFZQTCVKEE-VCBZYWHSSA-N 0 3 329.396 2.244 40 0 EEABHN CN(C)CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccccc1)C2 ZINC000096039556 463143748 /nfs/dbraw/zinc/14/37/48/463143748.db2.gz GWRPKHNJGVOTOK-QUCCMNQESA-N 0 3 346.471 2.276 40 0 EEABHN Cn1cc(CN2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)cn1 ZINC000096047886 463152144 /nfs/dbraw/zinc/15/21/44/463152144.db2.gz FEMKRYYQMUMJHV-KRWDZBQOSA-N 0 3 328.416 2.018 40 0 EEABHN COc1ccc(CN2CCO[C@@]3(C2)COCCN(C(C)C)C3)cc1 ZINC000096049732 463152892 /nfs/dbraw/zinc/15/28/92/463152892.db2.gz YEYBTSKZQOZPHW-LJQANCHMSA-N 0 3 334.460 2.007 40 0 EEABHN Cn1cc(CN2CCC3(CCN(CC4CCCC4)C3=O)CC2)cn1 ZINC000096157825 463189432 /nfs/dbraw/zinc/18/94/32/463189432.db2.gz JZUWRIJJDVLGCD-UHFFFAOYSA-N 0 3 330.476 2.425 40 0 EEABHN Cc1ccc(CN2CC[C@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)s1 ZINC000096184538 463196322 /nfs/dbraw/zinc/19/63/22/463196322.db2.gz GLJFIUBLYRQFOL-CVEARBPZSA-N 0 3 330.457 2.279 40 0 EEABHN CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3ccsc3)CC[C@@H]21 ZINC000096185695 463197937 /nfs/dbraw/zinc/19/79/37/463197937.db2.gz NUHNOLYUWFTJFA-SQNIBIBYSA-N 0 3 344.484 2.456 40 0 EEABHN O=C1CCCN1[C@@H]1CCO[C@]2(CCN(CCc3ccccc3)C2)C1 ZINC000096207667 463211057 /nfs/dbraw/zinc/21/10/57/463211057.db2.gz MUSUWGOWDHLCDG-UYAOXDASSA-N 0 3 328.456 2.475 40 0 EEABHN c1ccc(CN2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC000096249682 463227550 /nfs/dbraw/zinc/22/75/50/463227550.db2.gz ZTSBXLBTRZKWNC-UYAOXDASSA-N 0 3 338.455 2.200 40 0 EEABHN CC[C@H]1CCCN(C(C)(C)CNS(=O)(=O)CC2CCOCC2)C1 ZINC000096427975 463258495 /nfs/dbraw/zinc/25/84/95/463258495.db2.gz NFTGJKTZHSWYPP-HNNXBMFYSA-N 0 3 346.537 2.233 40 0 EEABHN CC(C)[C@@H](C(=O)N1CCC(O[C@H]2CCOC2)CC1)N1CCCCC1 ZINC000096450871 463273133 /nfs/dbraw/zinc/27/31/33/463273133.db2.gz RXISYEQTSWTVMN-ROUUACIJSA-N 0 3 338.492 2.293 40 0 EEABHN C[C@@H](NC[C@](C)(O)c1cnn(C)c1)c1ccc(N2CCCC2=O)cc1 ZINC000096478315 463281878 /nfs/dbraw/zinc/28/18/78/463281878.db2.gz BZRANVVVFBOBKZ-KUHUBIRLSA-N 0 3 342.443 2.105 40 0 EEABHN C[C@@H]1C[C@H](NC[C@@H]2CCCS2(=O)=O)CN(Cc2ccccc2)C1 ZINC000097095354 463321069 /nfs/dbraw/zinc/32/10/69/463321069.db2.gz OJYRIAPFBRZRKD-NJAFHUGGSA-N 0 3 336.501 2.064 40 0 EEABHN CCn1cc(C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)cn1 ZINC000097372879 463355817 /nfs/dbraw/zinc/35/58/17/463355817.db2.gz SOHDGFHJLOHYPE-UHFFFAOYSA-N 0 3 342.443 2.284 40 0 EEABHN O=C(NCC1CC1)[C@@H]1CN(CCc2ccccc2)C[C@H]2OCC[C@H]21 ZINC000097953386 463366623 /nfs/dbraw/zinc/36/66/23/463366623.db2.gz GOTFSZCIAZLOOC-IPMKNSEASA-N 0 3 328.456 2.092 40 0 EEABHN Cc1cc(=O)n2nc(NCc3ccccc3CN(C)C)sc2n1 ZINC000040049469 463452935 /nfs/dbraw/zinc/45/29/35/463452935.db2.gz BHWDYPNUCPSMBT-UHFFFAOYSA-N 0 3 329.429 2.133 40 0 EEABHN CC(C)c1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)c1 ZINC000257299773 463769001 /nfs/dbraw/zinc/76/90/01/463769001.db2.gz RRNSZRQJRYZWQD-JFIYKMOQSA-N 0 3 332.444 2.233 40 0 EEABHN C[C@@H](NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccnn1C ZINC000192887340 465012747 /nfs/dbraw/zinc/01/27/47/465012747.db2.gz QEBWHBMJBWWNFU-YGRLFVJLSA-N 0 3 337.807 2.229 40 0 EEABHN C[C@@H](NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccnn1C ZINC000192887368 465013188 /nfs/dbraw/zinc/01/31/88/465013188.db2.gz QEBWHBMJBWWNFU-QMTHXVAHSA-N 0 3 337.807 2.229 40 0 EEABHN O=C(Cc1ccccc1Cl)NCC1CCN([C@H]2CCOC2)CC1 ZINC000575607835 468147114 /nfs/dbraw/zinc/14/71/14/468147114.db2.gz PRKKEONEJSMMEV-INIZCTEOSA-N 0 3 336.863 2.500 40 0 EEABHN COc1cc(CN2CCC(C(=O)N3CCOCC3)CC2)ccc1C ZINC000193623565 240238521 /nfs/dbraw/zinc/23/85/21/240238521.db2.gz BTGZOBUKQFDKIS-UHFFFAOYSA-N 0 3 332.444 2.074 40 0 EEABHN CNc1cc(C)nc([C@@H]2CN(C(=O)CCCn3cccn3)CCO2)c1 ZINC000257205157 244129041 /nfs/dbraw/zinc/12/90/41/244129041.db2.gz AXWZXUBHLPCMKY-KRWDZBQOSA-N 0 3 343.431 2.009 40 0 EEABHN CN(C)C(=O)c1cc(C[C@H]2CCCN(Cc3ccccn3)C2)ncn1 ZINC000257236825 244233100 /nfs/dbraw/zinc/23/31/00/244233100.db2.gz HDXXEZSHTNXQRW-OAHLLOKOSA-N 0 3 339.443 2.028 40 0 EEABHN Cc1cccnc1CN1CCC2(CC(NS(=O)(=O)C3CC3)C2)CC1 ZINC000108526348 204265170 /nfs/dbraw/zinc/26/51/70/204265170.db2.gz KLULECCUGRLHLX-UHFFFAOYSA-N 0 3 349.500 2.216 40 0 EEABHN Cc1ccc(CN2CCC3(CC2)C[C@H](NC(=O)N(C)C)CCO3)o1 ZINC000108525407 204266444 /nfs/dbraw/zinc/26/64/44/204266444.db2.gz MCGRNIQIUFRXLI-OAHLLOKOSA-N 0 3 335.448 2.373 40 0 EEABHN O=C(C1CC1)N1CCC[C@H](C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000097212571 218996339 /nfs/dbraw/zinc/99/63/39/218996339.db2.gz BVDSXTXVHCAERT-KRWDZBQOSA-N 0 3 347.503 2.112 40 0 EEABHN Cc1ccc2c(n1)N(CCN(C)C)CCN(C(=O)c1ccsc1)C2 ZINC000096100593 292377208 /nfs/dbraw/zinc/37/72/08/292377208.db2.gz PXPPAEZJPZNDJA-UHFFFAOYSA-N 0 3 344.484 2.476 40 0 EEABHN CCn1cc(C(=O)NC[C@H]2CCN(C)C2)c(=O)c2cc(Cl)ccc21 ZINC000097375226 323322542 /nfs/dbraw/zinc/32/25/42/323322542.db2.gz YWQSEDQGFVNGDT-GFCCVEGCSA-N 0 3 347.846 2.356 40 0 EEABHN COc1ccc(CN2CCC(C(=O)N[C@@H]3CCCOC3)CC2)cc1 ZINC000012194407 462846417 /nfs/dbraw/zinc/84/64/17/462846417.db2.gz XIXVYZUTODRMBI-QGZVFWFLSA-N 0 3 332.444 2.202 40 0 EEABHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(F)ccc1C ZINC000133384599 462925577 /nfs/dbraw/zinc/92/55/77/462925577.db2.gz RHPRKRVQCCHBMV-CABCVRRESA-N 0 3 333.407 2.158 40 0 EEABHN Ic1cnc(N2CCNCC2)c2ccccc12 ZINC000019721691 463020715 /nfs/dbraw/zinc/02/07/15/463020715.db2.gz HQRNGDFRLZHLSE-UHFFFAOYSA-N 0 3 339.180 2.249 40 0 EEABHN O=C(c1ccc(Cl)cc1)C1CCN(C[C@H](O)Cn2cccn2)CC1 ZINC000052443199 463079493 /nfs/dbraw/zinc/07/94/93/463079493.db2.gz ZUDRHPRSUGRRBM-KRWDZBQOSA-N 0 3 347.846 2.492 40 0 EEABHN Cc1ccc(CN2C[C@@H](C(=O)N3CCCO3)C[C@H]3OCC[C@H]32)cc1 ZINC000096065643 463164008 /nfs/dbraw/zinc/16/40/08/463164008.db2.gz DOAZQYXZEGJUEB-RCCFBDPRSA-N 0 3 330.428 2.138 40 0 EEABHN Cc1ccc(CN2CC[C@@H]3OC[C@H](C(=O)N4CCCCO4)C[C@@H]3C2)o1 ZINC000096066056 463164394 /nfs/dbraw/zinc/16/43/94/463164394.db2.gz NLEJTHHMNWDTRD-NUJGCVRESA-N 0 3 348.443 2.369 40 0 EEABHN COc1ncccc1CN1CCC2(CC1)COCCN2CC1CC1 ZINC000096074629 463167579 /nfs/dbraw/zinc/16/75/79/463167579.db2.gz MFBXQMSBQXMXDC-UHFFFAOYSA-N 0 3 331.460 2.167 40 0 EEABHN C[C@@H](NC1(CNC(=O)c2csnn2)CCOCC1)c1ccccc1 ZINC000079096130 463188835 /nfs/dbraw/zinc/18/88/35/463188835.db2.gz DINWUBJJPSHJKW-CYBMUJFWSA-N 0 3 346.456 2.168 40 0 EEABHN COCC(=O)N1CCC2(C=C[C@H](N(C)Cc3ccccn3)CC2)CC1 ZINC000096159845 463191039 /nfs/dbraw/zinc/19/10/39/463191039.db2.gz USHAXNAQEIHYCU-SFHVURJKSA-N 0 3 343.471 2.487 40 0 EEABHN CC(C)N(C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)[C@H](C)N ZINC000079393155 463209940 /nfs/dbraw/zinc/20/99/40/463209940.db2.gz RXSVAPIPCMEPNN-RDJZCZTQSA-N 0 3 347.459 2.229 40 0 EEABHN O=C(C[C@@H]1C[C@H]2CN(Cc3ccsc3)C[C@H]2O1)N1CCCCO1 ZINC000096207702 463210286 /nfs/dbraw/zinc/21/02/86/463210286.db2.gz KWBPLJSCXUWUGE-HRCADAONSA-N 0 3 336.457 2.282 40 0 EEABHN CC(C)N(C[C@H]1CCCN(C(=O)[C@H](C)N)C1)C(=O)OC(C)(C)C ZINC000079409817 463211969 /nfs/dbraw/zinc/21/19/69/463211969.db2.gz GMWVOWFRWMWXQH-KBPBESRZSA-N 0 3 327.469 2.218 40 0 EEABHN O=C(NCc1ccco1)[C@H]1CO[C@@H]2CN(Cc3cccs3)C[C@H]12 ZINC000096217378 463215108 /nfs/dbraw/zinc/21/51/08/463215108.db2.gz KBMMQYRISYBBNG-OWCLPIDISA-N 0 3 332.425 2.104 40 0 EEABHN O=C1CCC2(CCN(Cc3ccccn3)CC2)N1CCN1CCCC1 ZINC000096228137 463222112 /nfs/dbraw/zinc/22/21/12/463222112.db2.gz GABAUAMXEGQWQQ-UHFFFAOYSA-N 0 3 342.487 2.134 40 0 EEABHN CN(C)CCn1ccc(NC(=O)N[C@@H]2CCO[C@H]2c2ccccc2)n1 ZINC000096447178 463271035 /nfs/dbraw/zinc/27/10/35/463271035.db2.gz WMWVZLVTGGFNPK-WBVHZDCISA-N 0 3 343.431 2.096 40 0 EEABHN Cc1ncsc1CN1CC[C@H]2OCC[C@@]2(C(=O)N2CCCC2)C1 ZINC000097953335 463366468 /nfs/dbraw/zinc/36/64/68/463366468.db2.gz WSWNQJNYGFOOAJ-NVXWUHKLSA-N 0 3 335.473 2.055 40 0 EEABHN CC(C)OCCN1CCC(NC(=O)[C@H]2COc3ccccc32)CC1 ZINC000081995645 463512071 /nfs/dbraw/zinc/51/20/71/463512071.db2.gz NZOCXEIBPNKCDN-KRWDZBQOSA-N 0 3 332.444 2.168 40 0 EEABHN CNc1cc(C)nc([C@@H]2CN(C(=O)Cc3csc(C)n3)CCO2)c1 ZINC000257283696 463760986 /nfs/dbraw/zinc/76/09/86/463760986.db2.gz OZKNKJLMUGUDRF-INIZCTEOSA-N 0 3 346.456 2.339 40 0 EEABHN COc1ccc(CN2CCOC[C@H](Cc3cc(C)ncn3)C2)cc1 ZINC000257296348 463767233 /nfs/dbraw/zinc/76/72/33/463767233.db2.gz RCJPXTBHPSFTBW-QGZVFWFLSA-N 0 3 327.428 2.485 40 0 EEABHN COc1ccc(C(=O)N2CCO[C@H](c3cc(N)cc(C)n3)C2)cc1F ZINC000257329247 463781673 /nfs/dbraw/zinc/78/16/73/463781673.db2.gz XJBXEQJDMGESSS-KRWDZBQOSA-N 0 3 345.374 2.334 40 0 EEABHN CNC(=O)c1cnn2c1nccc2[C@@H]1CCN(Cc2ccccc2)C1 ZINC000257341181 463785983 /nfs/dbraw/zinc/78/59/83/463785983.db2.gz ZJDJHTALXSWKJL-OAHLLOKOSA-N 0 3 335.411 2.078 40 0 EEABHN CC[S@](=O)[C@H]1CCCC[C@H]1NC1CN(C(=O)OC(C)(C)C)C1 ZINC000253369705 464995009 /nfs/dbraw/zinc/99/50/09/464995009.db2.gz GZEJNDTXMIZIHZ-QLEMLULZSA-N 0 3 330.494 2.275 40 0 EEABHN CC(C)N1CC2(CCN(C)CC2)COc2ccccc2S1(=O)=O ZINC000306135140 466492348 /nfs/dbraw/zinc/49/23/48/466492348.db2.gz OJAYADXDRYKPNW-UHFFFAOYSA-N 0 3 338.473 2.190 40 0 EEABHN CC[NH+](CC)C[C@H]1CCC2(CN(C(=O)c3cccc([O-])c3)C2)OC1 ZINC000575403176 468141039 /nfs/dbraw/zinc/14/10/39/468141039.db2.gz FDMPIKUWHKQLMD-OAHLLOKOSA-N 0 3 332.444 2.355 40 0 EEABHN C[C@@H]1Cc2nnc(COc3ncccc3F)n2CCN1CC1CC1 ZINC000585097560 468965245 /nfs/dbraw/zinc/96/52/45/468965245.db2.gz LSRATFQRVTVLBS-GFCCVEGCSA-N 0 3 331.395 2.048 40 0 EEABHN Cc1ccc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCCC2)cn1 ZINC000585098331 468967047 /nfs/dbraw/zinc/96/70/47/468967047.db2.gz WLPKBAJZJYCVRV-QGZVFWFLSA-N 0 3 339.443 2.097 40 0 EEABHN COc1ccc2cc(CN(C)[C@@H]3COC[C@@H](OC)[C@H]3O)ccc2c1 ZINC000585290586 469011244 /nfs/dbraw/zinc/01/12/44/469011244.db2.gz FQFCJHUSINYHBE-QRVBRYPASA-N 0 3 331.412 2.055 40 0 EEABHN CCOc1ccc(CN2CCC(C(=O)N[C@@H](C)COC)CC2)cc1 ZINC000199403184 1406142423 /nfs/dbraw/zinc/14/24/23/1406142423.db2.gz GLXRSRINLXMPKP-HNNXBMFYSA-N 0 3 334.460 2.448 40 0 EEABHN Cc1nc2c(c(N(C)CCN(C)C)n1)CCN(Cc1ccccc1)C2 ZINC000019286142 202003408 /nfs/dbraw/zinc/00/34/08/202003408.db2.gz WBELABQJPQKIRQ-UHFFFAOYSA-N 0 3 339.487 2.341 40 0 EEABHN Cc1nc2c(c(=O)[nH]1)CCN(C[C@H](C)Cc1ccc3c(c1)OCO3)C2 ZINC000019576556 202014291 /nfs/dbraw/zinc/01/42/91/202014291.db2.gz NMKNMOLULUPCLH-GFCCVEGCSA-N 0 3 341.411 2.456 40 0 EEABHN CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2cccc(C(N)=O)c2)C1 ZINC000078393980 202389853 /nfs/dbraw/zinc/38/98/53/202389853.db2.gz BPVRVAYJHXOTNT-CQSZACIVSA-N 0 3 333.432 2.132 40 0 EEABHN CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2ccc(C(N)=O)cc2)C1 ZINC000078393988 202390482 /nfs/dbraw/zinc/39/04/82/202390482.db2.gz DSECOMDDMZKUTP-AWEZNQCLSA-N 0 3 333.432 2.132 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CCCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000079410098 202433377 /nfs/dbraw/zinc/43/33/77/202433377.db2.gz MBHICXXBXWATDD-KBPBESRZSA-N 0 3 327.469 2.218 40 0 EEABHN COc1ccc(CCNCc2cnn(CC(F)F)c2)cc1OC ZINC000256050913 244066628 /nfs/dbraw/zinc/06/66/28/244066628.db2.gz GZDODKYTABGAJV-UHFFFAOYSA-N 0 3 325.359 2.498 40 0 EEABHN Cc1nc(C[C@H]2CCCN(Cc3ccsc3)C2)cc(C(N)=O)n1 ZINC000257255870 244281784 /nfs/dbraw/zinc/28/17/84/244281784.db2.gz KJFLMHRBRZTGDG-CYBMUJFWSA-N 0 3 330.457 2.400 40 0 EEABHN COc1ccc(CN(CCCN2C(=O)NC(C)(C)C2=O)C2CC2)cc1 ZINC000041626463 204048640 /nfs/dbraw/zinc/04/86/40/204048640.db2.gz SQWOPBFXUQFJKX-UHFFFAOYSA-N 0 3 345.443 2.380 40 0 EEABHN Cc1nn(C)cc1CN1CC[C@]2(CCC[C@@H]2C(=O)N2CCCCO2)C1 ZINC000108527294 204265857 /nfs/dbraw/zinc/26/58/57/204265857.db2.gz GHQBRCFLTMZJIH-IEBWSBKVSA-N 0 3 346.475 2.275 40 0 EEABHN COc1ccc2c(c1)CN(C1CCOCC1)CC[C@H]1COC(=O)N21 ZINC000225490795 286398922 /nfs/dbraw/zinc/39/89/22/286398922.db2.gz FHXNVKYUNPWOGJ-HNNXBMFYSA-N 0 3 332.400 2.405 40 0 biogenic,in-vitro EEABHN O=C(c1cccc(F)c1)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019293532 280208244 /nfs/dbraw/zinc/20/82/44/280208244.db2.gz VYIDGXSGOYJYQL-CQSZACIVSA-N 0 3 340.402 2.281 40 0 EEABHN COCCN1CCC(NC(=O)c2cc(Cl)ccc2OC)CC1 ZINC000085467938 462548802 /nfs/dbraw/zinc/54/88/02/462548802.db2.gz FEHPVJYYUIFQEA-UHFFFAOYSA-N 0 3 326.824 2.189 40 0 EEABHN C[C@@H]1CN(CCCCNC(=O)c2ccc(Cl)cn2)C[C@H](C)O1 ZINC000085457306 462549071 /nfs/dbraw/zinc/54/90/71/462549071.db2.gz PFKXRGZPKJANNC-BETUJISGSA-N 0 3 325.840 2.354 40 0 EEABHN O[C@H](CN1CCC(O)(c2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000012292069 462849137 /nfs/dbraw/zinc/84/91/37/462849137.db2.gz NEKSCQGIRRBLSP-QGZVFWFLSA-N 0 3 341.407 2.432 40 0 EEABHN CC(=O)Oc1ccc(CN[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 ZINC000012366577 462851076 /nfs/dbraw/zinc/85/10/76/462851076.db2.gz LJFJCAIUBUCSJE-CRAIPNDOSA-N 0 3 330.384 2.256 40 0 EEABHN O=C1N(Cc2ccncc2)CC[C@]12CCCN(Cc1ccncc1)C2 ZINC000096048668 463152009 /nfs/dbraw/zinc/15/20/09/463152009.db2.gz JOBJQFYINKXKOW-FQEVSTJZSA-N 0 3 336.439 2.491 40 0 EEABHN c1cc(CN2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)ccn1 ZINC000096055183 463156422 /nfs/dbraw/zinc/15/64/22/463156422.db2.gz OJZDDAHTYQXQFH-WOJBJXKFSA-N 0 3 338.455 2.200 40 0 EEABHN Cc1cccc(CN2CC[C@@H]3O[C@@H](COCC(=O)N(C)C)CC[C@@H]32)c1 ZINC000096064778 463163678 /nfs/dbraw/zinc/16/36/78/463163678.db2.gz IPGHSYJDLDEETA-QYZOEREBSA-N 0 3 346.471 2.222 40 0 EEABHN O=C(c1cccc(F)c1)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096161585 463191885 /nfs/dbraw/zinc/19/18/85/463191885.db2.gz KWXBNDNOSIAQRY-IYBDPMFKSA-N 0 3 325.387 2.425 40 0 EEABHN COCCN1CC[C@@H](CNC(=O)c2sc(C)cc2OC(F)F)C1 ZINC000079310144 463205273 /nfs/dbraw/zinc/20/52/73/463205273.db2.gz GOMPMUQTSSIXTA-NSHDSACASA-N 0 3 348.415 2.356 40 0 EEABHN CN(C)CCN1C(=O)CC[C@]12CCCN(C(=O)c1ccsc1)CC2 ZINC000096217741 463215437 /nfs/dbraw/zinc/21/54/37/463215437.db2.gz FHUZTKUWOJZCJK-SFHVURJKSA-N 0 3 349.500 2.297 40 0 EEABHN COc1ccc(CN2C[C@@H]3C(=O)N(Cc4cccnc4)C[C@@H]3C2)cc1 ZINC000096245093 463225708 /nfs/dbraw/zinc/22/57/08/463225708.db2.gz XHCDTMTUXNZPDP-HKUYNNGSSA-N 0 3 337.423 2.181 40 0 EEABHN Cc1cccc(CN2C[C@@H]3CCN(Cc4ccncc4)C(=O)[C@@H]3C2)n1 ZINC000096249093 463227733 /nfs/dbraw/zinc/22/77/33/463227733.db2.gz RBMJOCSMYXWDIX-PKOBYXMFSA-N 0 3 336.439 2.266 40 0 EEABHN CC(C(=O)NCCCc1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000096445214 463270060 /nfs/dbraw/zinc/27/00/60/463270060.db2.gz DKKDRDOHIRDOMO-VIFPVBQESA-N 0 3 338.256 2.475 40 0 EEABHN C[C@H](O)[C@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000096502516 463293248 /nfs/dbraw/zinc/29/32/48/463293248.db2.gz DZQBIFHECHWATN-WDSOQIARSA-N 0 3 345.487 2.311 40 0 EEABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccco3)C[C@H]21)NCc1ccco1 ZINC000097953558 463366230 /nfs/dbraw/zinc/36/62/30/463366230.db2.gz HPUVVSYMVUEVCA-RKVPGOIHSA-N 0 3 344.411 2.274 40 0 EEABHN Cc1ccc(CN2CCN(CC3CC3)C[C@@]3(CCCC(=O)N3)C2)o1 ZINC000107240277 463562324 /nfs/dbraw/zinc/56/23/24/463562324.db2.gz VFHHYLKCONWOGD-IBGZPJMESA-N 0 3 331.460 2.155 40 0 EEABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)CCn3ccc(C)n3)C2)c1 ZINC000257311334 463773125 /nfs/dbraw/zinc/77/31/25/463773125.db2.gz UIZDTSXACNHECM-OAHLLOKOSA-N 0 3 327.432 2.343 40 0 EEABHN Cc1cc(N)cc([C@H]2CN(C(=O)COc3ccccc3F)CCO2)n1 ZINC000257324084 463777720 /nfs/dbraw/zinc/77/77/20/463777720.db2.gz WNBXGLPTKKXCHD-QGZVFWFLSA-N 0 3 345.374 2.090 40 0 EEABHN COc1cc(CN(C)C(=O)[C@@H]2CCCCN2)ccc1OC(F)F ZINC000195543058 464073218 /nfs/dbraw/zinc/07/32/18/464073218.db2.gz XIZYBHZPYRWQQQ-LBPRGKRZSA-N 0 3 328.359 2.397 40 0 EEABHN Cc1ccc(F)cc1CNCC1(CS(C)(=O)=O)CCOCC1 ZINC000195552892 464076106 /nfs/dbraw/zinc/07/61/06/464076106.db2.gz NJMUKEYKHFKIBP-UHFFFAOYSA-N 0 3 329.437 2.065 40 0 EEABHN COc1coc(C(=O)NC[C@@H]2CCCN2CC2CCCCC2)cc1=O ZINC000252501023 464972947 /nfs/dbraw/zinc/97/29/47/464972947.db2.gz UBQMFNDRIHAMIA-HNNXBMFYSA-N 0 3 348.443 2.423 40 0 EEABHN COC(=O)C[C@@H]1CCCN1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000253416352 465005148 /nfs/dbraw/zinc/00/51/48/465005148.db2.gz HPGJXZPFXJUPHU-OALUTQOASA-N 0 3 346.471 2.305 40 0 EEABHN Nc1c(NC2CCN(Cc3ccccc3)CC2)ncnc1-n1cccn1 ZINC000253417932 465005767 /nfs/dbraw/zinc/00/57/67/465005767.db2.gz HTWBDOMXCJODLZ-UHFFFAOYSA-N 0 3 349.442 2.321 40 0 EEABHN CN(C)C(=O)COCC[C@H]1Cn2cccc2CN(CC2CCC2)C1 ZINC000585095586 468964692 /nfs/dbraw/zinc/96/46/92/468964692.db2.gz ZBQSWWIDCZMSLC-QGZVFWFLSA-N 0 3 333.476 2.215 40 0 EEABHN CN(Cc1ccc(-c2ccccc2)cc1)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585290461 469011839 /nfs/dbraw/zinc/01/18/39/469011839.db2.gz DPAKSNWDWONWFW-AQNXPRMDSA-N 0 3 327.424 2.154 40 0 EEABHN CCn1cc(CN2CCC3(CC(Nc4ccncn4)C3)C2)c(C)n1 ZINC000257237282 536050556 /nfs/dbraw/zinc/05/05/56/536050556.db2.gz HFVRDXJTPTXDEJ-UHFFFAOYSA-N 0 3 326.448 2.468 40 0 EEABHN COc1ccc(OC)c(-c2ccc3nnc([C@H](N)C(C)C)n3n2)c1 ZINC000217565863 536824094 /nfs/dbraw/zinc/82/40/94/536824094.db2.gz PXQASURUOGRUHY-MRXNPFEDSA-N 0 3 327.388 2.464 40 0 EEABHN CCN(C(=O)OCc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@H](C)N)CC1 ZINC000100177809 219093116 /nfs/dbraw/zinc/09/31/16/219093116.db2.gz MJEYWCXHLFXGRJ-BHYGNILZSA-N 0 3 347.459 2.420 40 0 EEABHN O=C(c1cccc(F)c1)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019293545 202002158 /nfs/dbraw/zinc/00/21/58/202002158.db2.gz DVTNWBMSPJBUKJ-MRXNPFEDSA-N 0 3 326.375 2.239 40 0 EEABHN COc1cccc(C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)c1 ZINC000019564731 202011925 /nfs/dbraw/zinc/01/19/25/202011925.db2.gz BGEMBKRZPKIKAS-QGZVFWFLSA-N 0 3 338.411 2.108 40 0 EEABHN CC(C)N(C)c1cccc(NC(=O)NCC2(O)CCN(C)CC2)c1 ZINC000077705344 202393395 /nfs/dbraw/zinc/39/33/95/202393395.db2.gz KOIYKQUNBDNIKF-UHFFFAOYSA-N 0 3 334.464 2.109 40 0 EEABHN Cc1nc(CN2CC[C@@]3(CCN(Cc4cccnc4)C3)C2=O)cs1 ZINC000106846578 204215664 /nfs/dbraw/zinc/21/56/64/204215664.db2.gz WVUMOHNVJPOXCO-GOSISDBHSA-N 0 3 342.468 2.471 40 0 EEABHN COC(=O)CCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000096413968 277315252 /nfs/dbraw/zinc/31/52/52/277315252.db2.gz MTYDOTYAEIOEEL-DOTOQJQBSA-N 0 3 332.444 2.451 40 0 EEABHN Cc1cn[nH]c1[C@H]1COCCN1C(=O)CCn1ccnc1C(C)C ZINC000257334668 279007199 /nfs/dbraw/zinc/00/71/99/279007199.db2.gz YGXKAAAMJKRTLM-CQSZACIVSA-N 0 3 331.420 2.028 40 0 EEABHN COc1cccc([C@@H](N)[C@@H](O)c2cccc(OC)c2OC)c1OC ZINC000001667021 462585301 /nfs/dbraw/zinc/58/53/01/462585301.db2.gz NQCYRUZEDDWTHR-CVEARBPZSA-N 0 3 333.384 2.454 40 0 EEABHN COc1ccccc1O[C@H](C)CNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000074822711 462639362 /nfs/dbraw/zinc/63/93/62/462639362.db2.gz CCBZXXSGFMMHIB-CABCVRRESA-N 0 3 335.448 2.198 40 0 EEABHN COC[C@@H](C)NCc1ccc(Br)cc1N1CCOCC1 ZINC000090546471 462796374 /nfs/dbraw/zinc/79/63/74/462796374.db2.gz JDWRKRMEQDHXJY-GFCCVEGCSA-N 0 3 343.265 2.410 40 0 EEABHN COCCC(=O)NC1CCN(CC2(c3ccc(OC)cc3)CC2)CC1 ZINC000012327085 462850086 /nfs/dbraw/zinc/85/00/86/462850086.db2.gz BTGBKZKMCKKMRK-UHFFFAOYSA-N 0 3 346.471 2.344 40 0 EEABHN COc1ccc2c(c1)C=C(CN1CC[C@H]3NC(=O)CCC[C@H]31)CO2 ZINC000019713239 463020641 /nfs/dbraw/zinc/02/06/41/463020641.db2.gz IJTSSHKBZMUIOZ-IAGOWNOFSA-N 0 3 328.412 2.214 40 0 EEABHN COc1ccc(CN2CCO[C@@H]3[C@@H](COCCN(C)C)CC[C@@H]32)cc1 ZINC000096055215 463157744 /nfs/dbraw/zinc/15/77/44/463157744.db2.gz QQGYWMKDZYYSIZ-YZGWKJHDSA-N 0 3 348.487 2.253 40 0 EEABHN O=C(NCc1cncc2c1CCN(C1CCOCC1)C2)c1ccco1 ZINC000096067429 463164886 /nfs/dbraw/zinc/16/48/86/463164886.db2.gz LCFRHYSEGOXLKO-UHFFFAOYSA-N 0 3 341.411 2.142 40 0 EEABHN Cc1cccc(COC[C@]23COC[C@H]2CN(Cc2ccncc2)C3)n1 ZINC000096108930 463177686 /nfs/dbraw/zinc/17/76/86/463177686.db2.gz SXPYRSIEGWAVNN-QUCCMNQESA-N 0 3 339.439 2.450 40 0 EEABHN COCC(=O)N1CCC2(C=C[C@@H](N(C)Cc3ccccn3)CC2)CC1 ZINC000096159847 463190544 /nfs/dbraw/zinc/19/05/44/463190544.db2.gz USHAXNAQEIHYCU-GOSISDBHSA-N 0 3 343.471 2.487 40 0 EEABHN O=C(C[C@H]1C[C@H]2CN(Cc3ccccc3)C[C@H]2O1)N1CCCCO1 ZINC000096209716 463214204 /nfs/dbraw/zinc/21/42/04/463214204.db2.gz JBFOVGVLLWQNAT-RCCFBDPRSA-N 0 3 330.428 2.220 40 0 EEABHN CN(Cc1ccccc1)C[C@H](O)Cn1nc(-c2ccccc2)ccc1=O ZINC000096403296 463238078 /nfs/dbraw/zinc/23/80/78/463238078.db2.gz VDCNWESQFBAKDF-IBGZPJMESA-N 0 3 349.434 2.403 40 0 EEABHN C[C@@H](NC1CCN(CC(F)F)CC1)c1ccc2c(c1)NC(=O)CO2 ZINC000096476523 463280279 /nfs/dbraw/zinc/28/02/79/463280279.db2.gz JESZPFCPRYLXKD-LLVKDONJSA-N 0 3 339.386 2.398 40 0 EEABHN c1[nH]nc(-c2ccccc2)c1CNC[C@H]1COC2(CCOCC2)O1 ZINC000096494782 463288867 /nfs/dbraw/zinc/28/88/67/463288867.db2.gz DBMCYYZXNKAZFD-INIZCTEOSA-N 0 3 329.400 2.088 40 0 EEABHN CCC[C@H](N)C(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000096499782 463290210 /nfs/dbraw/zinc/29/02/10/463290210.db2.gz MFPFSUFCMKVZJG-NEPJUHHUSA-N 0 3 331.338 2.208 40 0 EEABHN CN(C)Cc1cnc([C@@H]2CCN(C(=O)CCc3ccccc3)C2)[nH]1 ZINC000257282205 463759889 /nfs/dbraw/zinc/75/98/89/463759889.db2.gz OSVVREDDDUINMA-MRXNPFEDSA-N 0 3 326.444 2.420 40 0 EEABHN COc1ccc2c(c1)OCCC[C@H]2NC[C@@](C)(O)c1cnn(C)c1 ZINC000195561637 464077376 /nfs/dbraw/zinc/07/73/76/464077376.db2.gz MQBPWSGMFQBLNQ-SJLPKXTDSA-N 0 3 331.416 2.140 40 0 EEABHN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)n1C ZINC000223261069 464139799 /nfs/dbraw/zinc/13/97/99/464139799.db2.gz DNSKKUNCEAMLIC-DLBZAZTESA-N 0 3 343.500 2.263 40 0 EEABHN CN(C)CCNC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000225404592 464157661 /nfs/dbraw/zinc/15/76/61/464157661.db2.gz VHGKJXSRZPXXFS-UHFFFAOYSA-N 0 3 334.489 2.161 40 0 EEABHN Cc1ccc(C(=O)N(C)C2CCN(CCn3cccn3)CC2)cc1O ZINC000181060793 464440643 /nfs/dbraw/zinc/44/06/43/464440643.db2.gz PTIIIXVBNAPDSD-UHFFFAOYSA-N 0 3 342.443 2.134 40 0 EEABHN C[C@](O)(CN1CCC(OC[C@@H]2CCCCO2)CC1)C(F)(F)F ZINC000240871486 464449000 /nfs/dbraw/zinc/44/90/00/464449000.db2.gz IKWPVOHXWMIGOK-KBPBESRZSA-N 0 3 325.371 2.350 40 0 EEABHN Cc1[nH]ncc1[C@H](C)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000181178222 464454596 /nfs/dbraw/zinc/45/45/96/464454596.db2.gz WSBHIUZXHUSTLM-ZDUSSCGKSA-N 0 3 343.431 2.162 40 0 EEABHN CC[S@](=O)[C@@H]1CCCC[C@H]1NC1CN(C(=O)OC(C)(C)C)C1 ZINC000253369706 464995194 /nfs/dbraw/zinc/99/51/94/464995194.db2.gz GZEJNDTXMIZIHZ-SOHPYSCWSA-N 0 3 330.494 2.275 40 0 EEABHN O=C(c1cccnc1)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000503763921 467938393 /nfs/dbraw/zinc/93/83/93/467938393.db2.gz UFJFNRKQGJLLCZ-IRXDYDNUSA-N 0 3 325.387 2.425 40 0 EEABHN Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)C2CCN(C)CC2)cc1 ZINC000585275519 468998955 /nfs/dbraw/zinc/99/89/55/468998955.db2.gz BZGPOPZEOUCAAH-OALUTQOASA-N 0 3 330.472 2.231 40 0 EEABHN Cc1cnc(N2CC[C@@H]3O[C@@H](COCCN4CCCC4)CC[C@@H]32)nc1 ZINC000096186703 526074625 /nfs/dbraw/zinc/07/46/25/526074625.db2.gz LEAZVYRZNMGENY-SQNIBIBYSA-N 0 3 346.475 2.024 40 0 EEABHN CC(C)(CNC(=O)NC[C@@H]1CC[C@H](O)C1)N1CCc2ccccc2C1 ZINC000190124238 527133512 /nfs/dbraw/zinc/13/35/12/527133512.db2.gz GJLLJWZGBZIDTJ-QAPCUYQASA-N 0 3 345.487 2.284 40 0 EEABHN CCN1CCC[C@H]1CNC(=O)C(=O)NC1CCC(C(C)(C)C)CC1 ZINC000408709995 529102236 /nfs/dbraw/zinc/10/22/36/529102236.db2.gz KOXLQTWHKBLKFU-GPANFISMSA-N 0 3 337.508 2.308 40 0 EEABHN CN(C)C[C@@H](NC(=O)NCCc1cnccn1)c1ccc(Cl)cc1 ZINC000225790272 535941196 /nfs/dbraw/zinc/94/11/96/535941196.db2.gz IKKSVTBJRUEULM-MRXNPFEDSA-N 0 3 347.850 2.275 40 0 EEABHN COc1ccc(F)cc1S(=O)(=O)[N-]CC1CC[NH+](C(C)C)CC1 ZINC000038582596 213216322 /nfs/dbraw/zinc/21/63/22/213216322.db2.gz NICYSIIOAZWCTP-UHFFFAOYSA-N 0 3 344.452 2.233 40 0 EEABHN O=C(Cc1ccc(F)cc1)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019333371 212016603 /nfs/dbraw/zinc/01/66/03/212016603.db2.gz UZVPNKIDNSWXDQ-KRWDZBQOSA-N 0 3 340.402 2.168 40 0 EEABHN O=C(c1cccc(F)c1)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019293533 212012826 /nfs/dbraw/zinc/01/28/26/212012826.db2.gz VYIDGXSGOYJYQL-AWEZNQCLSA-N 0 3 340.402 2.281 40 0 EEABHN CC(C)N(Cc1ccccc1I)C(=O)[C@H](C)N ZINC000079420937 217223966 /nfs/dbraw/zinc/22/39/66/217223966.db2.gz UXALKEMQMHAAPH-JTQLQIEISA-N 0 3 346.212 2.375 40 0 EEABHN CCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000079410172 217222162 /nfs/dbraw/zinc/22/21/62/217222162.db2.gz GEPKRQGKCMPBOW-KGLIPLIRSA-N 0 3 327.469 2.218 40 0 EEABHN CC(C)N(CC1CCN(C(=O)CN)CC1)C(=O)OCc1ccccc1 ZINC000079412522 217222177 /nfs/dbraw/zinc/22/21/77/217222177.db2.gz CXFYJAOJZUXFPT-UHFFFAOYSA-N 0 3 347.459 2.231 40 0 EEABHN Fc1ccc(CNC[C@H]([C@@H]2CCOC2)N2CCOCC2)c(Cl)c1 ZINC000095425749 218367434 /nfs/dbraw/zinc/36/74/34/218367434.db2.gz ZIGIZXWOJGLKPK-RHSMWYFYSA-N 0 3 342.842 2.306 40 0 EEABHN CNC(=O)NC(=O)CN[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000097103545 290486827 /nfs/dbraw/zinc/48/68/27/290486827.db2.gz OQHIQBDJPDJXNN-WCQYABFASA-N 0 3 343.349 2.387 40 0 EEABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccsc3)C[C@H]21)NCC1CC1 ZINC000096040817 463145160 /nfs/dbraw/zinc/14/51/60/463145160.db2.gz OPHGOLJBSQKDPR-ZACQAIPSSA-N 0 3 334.485 2.359 40 0 EEABHN O=C([C@@H]1CC[C@@H]2[C@@H](CCN2Cc2cccs2)O1)N1CCCCO1 ZINC000096057393 463158022 /nfs/dbraw/zinc/15/80/22/463158022.db2.gz WWVZLYGABGXBTO-OAGGEKHMSA-N 0 3 336.457 2.424 40 0 EEABHN Cc1cccc(CN2CC[C@@]3(C[C@H](Nc4cnccn4)CO3)C2)n1 ZINC000096072741 463167501 /nfs/dbraw/zinc/16/75/01/463167501.db2.gz UTAPSYLGSZWIEN-FUHWJXTLSA-N 0 3 325.416 2.026 40 0 EEABHN c1cc(CN2CCO[C@@H]3CN(Cc4ccccn4)C[C@@H]3C2)cs1 ZINC000096108211 463176893 /nfs/dbraw/zinc/17/68/93/463176893.db2.gz RKTFVMOBVZLPBG-FUHWJXTLSA-N 0 3 329.469 2.476 40 0 EEABHN Cn1cc(CN2CC[C@@]3(C2)CCCN(Cc2ccccn2)C3)cn1 ZINC000096158030 463189729 /nfs/dbraw/zinc/18/97/29/463189729.db2.gz LBJQSVBVNZUTFD-IBGZPJMESA-N 0 3 325.460 2.303 40 0 EEABHN COc1ncccc1CN1CC[C@@]2(C1)C(=O)NC[C@H]2c1ccccc1 ZINC000096161392 463192041 /nfs/dbraw/zinc/19/20/41/463192041.db2.gz OKYVADWXIMDEJQ-PXNSSMCTSA-N 0 3 337.423 2.196 40 0 EEABHN COCCN1CCC2(CN(C(=O)N(C)C)c3ccc(C)cc32)CC1 ZINC000096161023 463192325 /nfs/dbraw/zinc/19/23/25/463192325.db2.gz QNMRURRMWAAGBO-UHFFFAOYSA-N 0 3 331.460 2.477 40 0 EEABHN Fc1cnc(N2CCOC[C@]3(CCN(Cc4cccs4)C3)C2)nc1 ZINC000096202180 463207463 /nfs/dbraw/zinc/20/74/63/463207463.db2.gz NCKZMSXNRWXAER-KRWDZBQOSA-N 0 3 348.447 2.406 40 0 EEABHN Cc1ccc(CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCCC3)C2)o1 ZINC000096207785 463210316 /nfs/dbraw/zinc/21/03/16/463210316.db2.gz OMAKNBNFHPUYBZ-NXHRZFHOSA-N 0 3 332.444 2.437 40 0 EEABHN c1cncc(CN2CC[C@H]3[C@@H](Cc4nnc(C5CC5)o4)OC[C@H]3C2)c1 ZINC000096207404 463211025 /nfs/dbraw/zinc/21/10/25/463211025.db2.gz CPPVLRRTSWOHIL-BRWVUGGUSA-N 0 3 340.427 2.422 40 0 EEABHN COc1ccccc1CN1C[C@@H]2COC[C@]2(CC(=O)N2CCCC2)C1 ZINC000096209610 463214306 /nfs/dbraw/zinc/21/43/06/463214306.db2.gz VLISTRKJHGPCFN-XLIONFOSSA-N 0 3 344.455 2.156 40 0 EEABHN O=C(c1ccncc1)N1C[C@H]2CN(Cc3ccccc3F)C[C@H]2C1 ZINC000096245577 463227475 /nfs/dbraw/zinc/22/74/75/463227475.db2.gz XCDPGGZJOVAQKP-CALCHBBNSA-N 0 3 325.387 2.425 40 0 EEABHN Cc1noc(C)c1C(=O)N1CC[C@H]2OCCN(CC3CC3)[C@H]2CC1 ZINC000096249337 463227509 /nfs/dbraw/zinc/22/75/09/463227509.db2.gz SQNBGLVBRHOGHU-JKSUJKDBSA-N 0 3 333.432 2.007 40 0 EEABHN CCN(CC)CC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000096408550 463241568 /nfs/dbraw/zinc/24/15/68/463241568.db2.gz DDGWDUHKUVRDEI-CYBMUJFWSA-N 0 3 341.402 2.325 40 0 EEABHN CCOc1c(F)cccc1C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000096431079 463260179 /nfs/dbraw/zinc/26/01/79/463260179.db2.gz MFMHQOSCDSFUQY-HNNXBMFYSA-N 0 3 349.450 2.076 40 0 EEABHN CC(C)Oc1cnc(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)cn1 ZINC000097371590 463355701 /nfs/dbraw/zinc/35/57/01/463355701.db2.gz ZGLOKIWCNAINON-OAHLLOKOSA-N 0 3 340.427 2.397 40 0 EEABHN CCN1C(=O)C2C(=O)N(c3ccccc3)[C@H](c3ccccc3)[C@H]2C1=O ZINC000103583278 463405275 /nfs/dbraw/zinc/40/52/75/463405275.db2.gz WSDSPIPZIVIJLW-YESZJQIVSA-N 0 3 334.375 2.396 40 0 EEABHN c1cnc(Nc2cc(CC3CCN([C@@H]4CCOC4)CC3)ncn2)cn1 ZINC000257294387 463766468 /nfs/dbraw/zinc/76/64/68/463766468.db2.gz QTWMJHBWIYQUIQ-MRXNPFEDSA-N 0 3 340.431 2.054 40 0 EEABHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000195540364 464073371 /nfs/dbraw/zinc/07/33/71/464073371.db2.gz HVTNJQMUGPUVKW-PBHICJAKSA-N 0 3 342.447 2.130 40 0 EEABHN C[C@@H]1CCCC[C@H]1NCC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000195567054 464079175 /nfs/dbraw/zinc/07/91/75/464079175.db2.gz YEGMZXKKVARGCQ-BXUZGUMPSA-N 0 3 342.436 2.336 40 0 EEABHN Cc1cc(CN2CC3(C2)C[C@H](COCC2CC2)CCN3C)n(C)n1 ZINC000247919951 464715232 /nfs/dbraw/zinc/71/52/32/464715232.db2.gz NQJQOUYCSLYXCV-QGZVFWFLSA-N 0 3 332.492 2.051 40 0 EEABHN CN(Cc1ccccn1)[C@@H]1CO[C@@]2(CCN(Cc3ccncc3)C2)C1 ZINC000248122878 464732828 /nfs/dbraw/zinc/73/28/28/464732828.db2.gz NPCSWIDYDJIEDJ-PMACEKPBSA-N 0 3 338.455 2.342 40 0 EEABHN O=C(c1cccnc1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 ZINC000503763919 467938652 /nfs/dbraw/zinc/93/86/52/467938652.db2.gz UFJFNRKQGJLLCZ-IAGOWNOFSA-N 0 3 325.387 2.425 40 0 EEABHN CN(C)c1nc([C@H]2CCCN2CC2(O)CCOCC2)cn2cccc12 ZINC000585178758 468994043 /nfs/dbraw/zinc/99/40/43/468994043.db2.gz HTEIOWMDRWQVSW-MRXNPFEDSA-N 0 3 344.459 2.079 40 0 EEABHN Cc1ccc(Cl)c(OC[C@@]2(O)CN(C3CCC3)CC[C@@H]2O)c1 ZINC000585281820 469007500 /nfs/dbraw/zinc/00/75/00/469007500.db2.gz BMKBLLKWWLFCDD-IRXDYDNUSA-N 0 3 325.836 2.377 40 0 EEABHN CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)CO)cc1 ZINC000218457418 536194879 /nfs/dbraw/zinc/19/48/79/536194879.db2.gz CYINEGSJVUKCIV-OTWHNJEPSA-N 0 3 345.464 2.126 40 0 EEABHN COc1ccc(-c2ccc3nnc([C@H]4CCCN4)n3n2)cc1OC ZINC000217556482 536896859 /nfs/dbraw/zinc/89/68/59/536896859.db2.gz UVAVSOOQMAPOOY-CYBMUJFWSA-N 0 3 325.372 2.233 40 0 EEABHN CC(C)CC[N@@H+]1CCc2c(nc(N3C[C@@H](C)O[C@@H](C)C3)[n-]c2=O)C1 ZINC000072335561 216157639 /nfs/dbraw/zinc/15/76/39/216157639.db2.gz WWMSGKVGZSKMEB-OKILXGFUSA-N 0 3 334.464 2.200 40 0 EEABHN CC(C)CC[N@H+]1CCc2c(nc(N3C[C@@H](C)O[C@@H](C)C3)[n-]c2=O)C1 ZINC000072335561 216157641 /nfs/dbraw/zinc/15/76/41/216157641.db2.gz WWMSGKVGZSKMEB-OKILXGFUSA-N 0 3 334.464 2.200 40 0 EEABHN COCCNc1ccc(C[C@@H]2CCCN(Cc3ccncc3)C2)nn1 ZINC000072387309 216186557 /nfs/dbraw/zinc/18/65/57/216186557.db2.gz XKUOTWVTNBINHK-KRWDZBQOSA-N 0 3 341.459 2.385 40 0 EEABHN COC(=O)[C@H]1C[C@@H](c2ccccc2)CN(Cc2ccnc(N)c2)C1 ZINC000193443196 240165464 /nfs/dbraw/zinc/16/54/64/240165464.db2.gz OOMJFOXJNODLGH-SJORKVTESA-N 0 3 325.412 2.443 40 0 EEABHN Cc1cc(N)cc([C@H]2CN(C(=O)COc3cccc(F)c3)CCO2)n1 ZINC000257234377 244223071 /nfs/dbraw/zinc/22/30/71/244223071.db2.gz GTGKAROLISJEEB-QGZVFWFLSA-N 0 3 345.374 2.090 40 0 EEABHN CO[C@H]1CN(C(=O)c2ccc(CN(C)C)cc2)CC[C@@]12CCCO2 ZINC000257335608 244561206 /nfs/dbraw/zinc/56/12/06/244561206.db2.gz YLAYVXXLLJMGGH-HKUYNNGSSA-N 0 3 332.444 2.158 40 0 EEABHN CC(C)n1c2ccccc2nc1CN1C[C@@H]2C[C@@H](O)CN2C[C@@H]1C ZINC000019576036 212045500 /nfs/dbraw/zinc/04/55/00/212045500.db2.gz VTHCNUCNRJQSNG-HRCADAONSA-N 0 3 328.460 2.257 40 0 EEABHN O=C(c1cccc(F)c1)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019293547 212012803 /nfs/dbraw/zinc/01/28/03/212012803.db2.gz DVTNWBMSPJBUKJ-INIZCTEOSA-N 0 3 326.375 2.239 40 0 EEABHN C[C@H](N)C(=O)N1CCC[C@H](N(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079413069 217221726 /nfs/dbraw/zinc/22/17/26/217221726.db2.gz AWXOBJQWPYAYSL-YOEHRIQHSA-N 0 3 345.443 2.126 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CC[C@@H](CN(C(=O)OC(C)(C)C)C(C)C)C1 ZINC000079410260 217222259 /nfs/dbraw/zinc/22/22/59/217222259.db2.gz IGMDHOXSVQGQBR-CABCVRRESA-N 0 3 341.496 2.464 40 0 EEABHN c1cncc(-c2nnn(C[C@@H]3CCCN(Cc4ccncc4)C3)n2)c1 ZINC000012338011 211353056 /nfs/dbraw/zinc/35/30/56/211353056.db2.gz FFCHOTJKOSYZQL-MRXNPFEDSA-N 0 3 335.415 2.042 40 0 EEABHN c1c2c(nn1CC1CCOCC1)[C@H](CNCc1ccncc1)OCC2 ZINC000096059767 218551572 /nfs/dbraw/zinc/55/15/72/218551572.db2.gz AIRSALYPWOOVMH-SFHVURJKSA-N 0 3 342.443 2.108 40 0 EEABHN O=C(NC[C@]12COC[C@H]1CN(Cc1ccncc1)C2)c1ccsc1 ZINC000096108468 218602191 /nfs/dbraw/zinc/60/21/91/218602191.db2.gz WWQIUYUVHUQDNY-AEFFLSMTSA-N 0 3 343.452 2.022 40 0 EEABHN COc1ncccc1CN1CC[C@]2(C1)C(=O)NC[C@H]2c1ccccc1 ZINC000096161389 218637884 /nfs/dbraw/zinc/63/78/84/218637884.db2.gz OKYVADWXIMDEJQ-FXAWDEMLSA-N 0 3 337.423 2.196 40 0 EEABHN Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)CO)cc1 ZINC000218400808 292238109 /nfs/dbraw/zinc/23/81/09/292238109.db2.gz RCZVEFRQLJYONB-QYZOEREBSA-N 0 3 345.464 2.181 40 0 EEABHN CN1[C@@H](c2ccco2)NC(=O)C12CCN(Cc1ccccc1)CC2 ZINC000001705542 277214325 /nfs/dbraw/zinc/21/43/25/277214325.db2.gz XOOIFNPNJOAIPL-KRWDZBQOSA-N 0 3 325.412 2.375 40 0 EEABHN C[C@@H](NC(=O)CN[C@@H](c1ccccc1)C1CCCC1)C(=O)N(C)C ZINC000096405532 278322002 /nfs/dbraw/zinc/32/20/02/278322002.db2.gz FBNQACURHRZCHS-KDOFPFPSSA-N 0 3 331.460 2.100 40 0 EEABHN C[C@H](N)C(=O)N(C1CC1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000079391351 289762751 /nfs/dbraw/zinc/76/27/51/289762751.db2.gz OWRKRPGRLYIGNZ-HIFPTAJRSA-N 0 3 325.453 2.161 40 0 EEABHN Cc1cc(C(=O)N2CCC(CN3CCN(C)C[C@@H]3C)CC2)c(C)o1 ZINC000085468122 462549235 /nfs/dbraw/zinc/54/92/35/462549235.db2.gz ZVLKFIIRTDPYAZ-AWEZNQCLSA-N 0 3 333.476 2.385 40 0 EEABHN CC(C)(NC(=O)C[C@@H]1CNCCO1)c1ccc(Br)cc1 ZINC000091299686 462870639 /nfs/dbraw/zinc/87/06/39/462870639.db2.gz ISYRUNXIJIAYQY-CYBMUJFWSA-N 0 3 341.249 2.179 40 0 EEABHN Cc1cc(N2CCN(C)CC2)cc([C@H]2CCN(C(=O)C(C)C)C2)n1 ZINC000019705387 463020979 /nfs/dbraw/zinc/02/09/79/463020979.db2.gz KAGHHPQODZNFHE-INIZCTEOSA-N 0 3 330.476 2.114 40 0 EEABHN CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CCN(Cc2cccnc2)C1 ZINC000019695667 463021304 /nfs/dbraw/zinc/02/13/04/463021304.db2.gz SKQHCNRDGKEKSY-LJQANCHMSA-N 0 3 342.443 2.374 40 0 EEABHN Cc1noc(C)c1CN1C[C@@]2(CCN(Cc3ccncc3)C2)CC1=O ZINC000096050956 463155316 /nfs/dbraw/zinc/15/53/16/463155316.db2.gz MHGUXFCASAJLSF-IBGZPJMESA-N 0 3 340.427 2.311 40 0 EEABHN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2CCN(CC3CCC3)C[C@H]2O1 ZINC000096066221 463164552 /nfs/dbraw/zinc/16/45/52/463164552.db2.gz ASNLNUOKXFPZGW-YTQUADARSA-N 0 3 343.471 2.320 40 0 EEABHN Cc1nc(CN2CC[C@]3(CCCN(C4CCOCC4)C3)C2=O)cs1 ZINC000096224374 463219635 /nfs/dbraw/zinc/21/96/35/463219635.db2.gz LCXVINYJABASCH-SFHVURJKSA-N 0 3 349.500 2.445 40 0 EEABHN CCc1ccc(CN2CCC3(CC2)C(=O)NCCN3CC(C)C)o1 ZINC000096230170 463223306 /nfs/dbraw/zinc/22/33/06/463223306.db2.gz YKOQEOWJFLUTBL-UHFFFAOYSA-N 0 3 333.476 2.264 40 0 EEABHN Cc1nc(CN2C[C@@H]3CN(Cc4cccc(C)n4)C[C@@H]3C2=O)cs1 ZINC000096245108 463225623 /nfs/dbraw/zinc/22/56/23/463225623.db2.gz XWNHUSRPFJTBEO-YOEHRIQHSA-N 0 3 342.468 2.245 40 0 EEABHN COC(=O)c1cccc(NC(=O)N2CC[C@H](N3CCCC3)C2)c1C ZINC000096403588 463238305 /nfs/dbraw/zinc/23/83/05/463238305.db2.gz JNJTYMFDNXVPLP-AWEZNQCLSA-N 0 3 331.416 2.484 40 0 EEABHN CNS(=O)(=O)CCCN[C@H](C)c1cccc(Br)c1 ZINC000096490948 463287253 /nfs/dbraw/zinc/28/72/53/463287253.db2.gz QUSJLFAAACUOOX-SNVBAGLBSA-N 0 3 335.267 2.039 40 0 EEABHN CN1CCC(N(Cc2ccccc2)C(=O)c2nccn3ccnc23)CC1 ZINC000084365113 463596177 /nfs/dbraw/zinc/59/61/77/463596177.db2.gz KKSFMIXHAVHYPQ-UHFFFAOYSA-N 0 3 349.438 2.466 40 0 EEABHN CN1CCC[C@@H](CNC(=O)NCCCc2nc3ccccc3[nH]2)C1 ZINC000084850843 463635054 /nfs/dbraw/zinc/63/50/54/463635054.db2.gz GRCXLTQSWBVMMX-AWEZNQCLSA-N 0 3 329.448 2.137 40 0 EEABHN CCc1cc(C(=O)N2CCO[C@H](c3cc(NC)cc(C)n3)C2)on1 ZINC000257287248 463763446 /nfs/dbraw/zinc/76/34/46/463763446.db2.gz PPDMRCXINITCPK-INIZCTEOSA-N 0 3 330.388 2.196 40 0 EEABHN Cc1cc(C)n(CC(=O)N2CC[C@@H](c3cc(N(C)C)cc(C)n3)C2)n1 ZINC000257289987 463764275 /nfs/dbraw/zinc/76/42/75/463764275.db2.gz QAZZWKMRFDVHQT-MRXNPFEDSA-N 0 3 341.459 2.285 40 0 EEABHN COc1ccccc1CNC(=O)c1cnc([C@H]2CCCN2)nc1C ZINC000257307334 463772388 /nfs/dbraw/zinc/77/23/88/463772388.db2.gz SYFMFTQAFXEDMU-OAHLLOKOSA-N 0 3 326.400 2.148 40 0 EEABHN CCc1cc(C(=O)N2CCO[C@@H](c3cc(N(C)C)cc(C)n3)C2)on1 ZINC000257318264 463775201 /nfs/dbraw/zinc/77/52/01/463775201.db2.gz VNDPIDFEZMCFAB-QGZVFWFLSA-N 0 3 344.415 2.220 40 0 EEABHN CN(CCC(=O)N1CCC[C@H](c2cnccn2)C1)Cc1cccnc1 ZINC000257344665 463787917 /nfs/dbraw/zinc/78/79/17/463787917.db2.gz ZYFHKNKNXNJLTQ-KRWDZBQOSA-N 0 3 339.443 2.100 40 0 EEABHN CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223288402 464141196 /nfs/dbraw/zinc/14/11/96/464141196.db2.gz YZGNEYNZSQYMBZ-IAGOWNOFSA-N 0 3 343.500 2.437 40 0 EEABHN CN(CC(=O)Nc1nccs1)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000241231073 464450379 /nfs/dbraw/zinc/45/03/79/464450379.db2.gz KRSRTKSZFBPYKA-HOCLYGCPSA-N 0 3 345.472 2.101 40 0 EEABHN COc1ccccc1N1CC[C@H](N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1=O ZINC000245316717 464469655 /nfs/dbraw/zinc/46/96/55/464469655.db2.gz KGWKUZQPCWHHKD-DLTLXFJOSA-N 0 3 330.428 2.204 40 0 EEABHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCc1ccccn1 ZINC000248396361 464746186 /nfs/dbraw/zinc/74/61/86/464746186.db2.gz PYOAAGCICJEATM-VQIMIIECSA-N 0 3 338.455 2.444 40 0 EEABHN CC(C)(C)CN1CCC[C@H](N2CCC[C@@H](Cn3ccnn3)C2)C1=O ZINC000329756419 465424604 /nfs/dbraw/zinc/42/46/04/465424604.db2.gz YPZRRYRZEVYVDA-CVEARBPZSA-N 0 3 333.480 2.027 40 0 EEABHN CCN(CC)CCCN(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000575422408 468143371 /nfs/dbraw/zinc/14/33/71/468143371.db2.gz VNUKNOGXTKDKFV-SFHVURJKSA-N 0 3 338.517 2.408 40 0 EEABHN O=C(NCC1CCN([C@@H]2CCOC2)CC1)c1cc2ccccc2[nH]1 ZINC000575608153 468146996 /nfs/dbraw/zinc/14/69/96/468146996.db2.gz QZJMAPHYYYHLFI-MRXNPFEDSA-N 0 3 327.428 2.399 40 0 EEABHN CNC(=O)C[C@@H]1CN(Cc2c(OC)ccc3ccccc32)C[C@@H]1OC ZINC000585279218 469004831 /nfs/dbraw/zinc/00/48/31/469004831.db2.gz VJFKZRWVVLTUGA-BEFAXECRSA-N 0 3 342.439 2.431 40 0 EEABHN CC(C)(CNC(=O)NC[C@H]1CC[C@H](O)C1)N1CCc2ccccc2C1 ZINC000190124258 527135827 /nfs/dbraw/zinc/13/58/27/527135827.db2.gz GJLLJWZGBZIDTJ-YJBOKZPZSA-N 0 3 345.487 2.284 40 0 EEABHN COc1ccc(Oc2nccnc2C2CCN(CCO)CC2)cc1 ZINC000072361608 216167250 /nfs/dbraw/zinc/16/72/50/216167250.db2.gz KIZGGZHAKSJDQG-UHFFFAOYSA-N 0 3 329.400 2.449 40 0 EEABHN CN1CCC[C@H](C(=O)Nc2ccccc2C(=O)NCc2ccco2)C1 ZINC000072849840 216316268 /nfs/dbraw/zinc/31/62/68/216316268.db2.gz NKWWHRJIQKRHFR-AWEZNQCLSA-N 0 3 341.411 2.490 40 0 EEABHN O=c1cc(C[C@H]2COCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)nc[n-]1 ZINC000257262053 244348982 /nfs/dbraw/zinc/34/89/82/244348982.db2.gz LJVOYUAZUYTDRF-OAHLLOKOSA-N 0 3 338.411 2.355 40 0 EEABHN O=c1cc(C[C@H]2COCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)nc[n-]1 ZINC000257262053 244348987 /nfs/dbraw/zinc/34/89/87/244348987.db2.gz LJVOYUAZUYTDRF-OAHLLOKOSA-N 0 3 338.411 2.355 40 0 EEABHN Cc1csc(Nc2cccc(C3CCN(C(=O)CN)CC3)n2)n1 ZINC000257277418 244396926 /nfs/dbraw/zinc/39/69/26/244396926.db2.gz NXWPNCYUFZAEMP-UHFFFAOYSA-N 0 3 331.445 2.255 40 0 EEABHN C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)C4CCCC4)C3)[n-]c(=O)c2C1 ZINC000019590224 212049037 /nfs/dbraw/zinc/04/90/37/212049037.db2.gz UDQRRHZCOQANFF-AWEZNQCLSA-N 0 3 344.459 2.066 40 0 EEABHN C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)C4CCCC4)C3)[n-]c(=O)c2C1 ZINC000019590224 212049040 /nfs/dbraw/zinc/04/90/40/212049040.db2.gz UDQRRHZCOQANFF-AWEZNQCLSA-N 0 3 344.459 2.066 40 0 EEABHN COc1cccc(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)c1 ZINC000019564485 212043774 /nfs/dbraw/zinc/04/37/74/212043774.db2.gz PDTWXSDMUABTPK-QGZVFWFLSA-N 0 3 338.411 2.108 40 0 EEABHN Cc1nc2c(c(=O)[n-]1)CC[C@@H]1C[N@H+](Cc3ccc4nccnc4c3)C[C@H]21 ZINC000019576661 212046067 /nfs/dbraw/zinc/04/60/67/212046067.db2.gz OAZZZLVQTLLUAU-ZBFHGGJFSA-N 0 3 347.422 2.183 40 0 EEABHN Cc1nc2c(c(=O)[n-]1)CC[C@@H]1C[N@@H+](Cc3ccc4nccnc4c3)C[C@H]21 ZINC000019576661 212046069 /nfs/dbraw/zinc/04/60/69/212046069.db2.gz OAZZZLVQTLLUAU-ZBFHGGJFSA-N 0 3 347.422 2.183 40 0 EEABHN CN(CCc1ccc(F)cc1)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000092162060 218123513 /nfs/dbraw/zinc/12/35/13/218123513.db2.gz KJTDEMAIOHXHID-UHFFFAOYSA-N 0 3 343.450 2.042 40 0 EEABHN COc1cc2ccn(C[C@H](O)CN3CCC(C)CC3)c(=O)c2cc1F ZINC000095439155 218383117 /nfs/dbraw/zinc/38/31/17/218383117.db2.gz NHIDLDDBSMHIEW-OAHLLOKOSA-N 0 3 348.418 2.242 40 0 EEABHN C[C@@H](c1ccccc1)n1cc(C(=O)NCCN2CCCCCC2)nn1 ZINC000004986240 210349870 /nfs/dbraw/zinc/34/98/70/210349870.db2.gz STDFVMBAVSFHEX-INIZCTEOSA-N 0 3 341.459 2.493 40 0 EEABHN CCN1CCC[C@@H]1CNC(=O)Nc1c[nH]c2ccc(OC)cc2c1=O ZINC000004907734 210319488 /nfs/dbraw/zinc/31/94/88/210319488.db2.gz MVDWZDBRXFFBCO-GFCCVEGCSA-N 0 3 344.415 2.143 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000079410107 280272156 /nfs/dbraw/zinc/27/21/56/280272156.db2.gz QBHXRFUKSHWCLL-KGLIPLIRSA-N 0 3 327.469 2.075 40 0 EEABHN C[C@H](N)C(=O)N1CCC[C@@H]1CN(C(=O)OCc1ccccc1)C1CC1 ZINC000079413037 289763316 /nfs/dbraw/zinc/76/33/16/289763316.db2.gz OGUXCAFCWBTJKZ-WMLDXEAASA-N 0 3 345.443 2.126 40 0 EEABHN O=C(c1cn(CC2CC2)nn1)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000333864983 312207152 /nfs/dbraw/zinc/20/71/52/312207152.db2.gz NVNMDYZEWYNUEH-MRXNPFEDSA-N 0 3 337.427 2.313 40 0 EEABHN O=C([C@H]1C[C@H]2OCC[C@H]2N(CCc2ccccc2)C1)N1CCCCO1 ZINC000096041258 463146184 /nfs/dbraw/zinc/14/61/84/463146184.db2.gz WVTXFYGWTKWPMP-IPMKNSEASA-N 0 3 344.455 2.263 40 0 EEABHN Cn1ccnc1CN1CC[C@]2(C1)CCCN(Cc1ccccn1)C2 ZINC000096158034 463188626 /nfs/dbraw/zinc/18/86/26/463188626.db2.gz HVGLDYOQQYHBFI-LJQANCHMSA-N 0 3 325.460 2.303 40 0 EEABHN O=C([C@H]1CCOC1)N1CCC2(CCCN(Cc3ccccn3)C2)CC1 ZINC000096158509 463189480 /nfs/dbraw/zinc/18/94/80/463189480.db2.gz GJPODRIYDINESD-KRWDZBQOSA-N 0 3 343.471 2.323 40 0 EEABHN O=C(C[C@]12COC[C@H]1CN(Cc1ccsc1)C2)N1CC(F)(F)C1 ZINC000096209099 463212222 /nfs/dbraw/zinc/21/22/22/463212222.db2.gz BONKPOKCFUOEBG-HIFRSBDPSA-N 0 3 342.411 2.064 40 0 EEABHN Cc1cc(CN2CCC3(CC2)C(=O)NCCN3CC2CC2)oc1C ZINC000096230205 463223570 /nfs/dbraw/zinc/22/35/70/463223570.db2.gz MJJVOKYMDBMTAB-UHFFFAOYSA-N 0 3 331.460 2.073 40 0 EEABHN C[C@@H](Cn1cc(Br)cn1)NC[C@@](C)(O)c1ccco1 ZINC000096478482 463281651 /nfs/dbraw/zinc/28/16/51/463281651.db2.gz PKDHKITXUOAPAG-GXFFZTMASA-N 0 3 328.210 2.124 40 0 EEABHN O=C1CCCN1C[C@H](O)CNC1(c2ccc(F)cc2F)CCCC1 ZINC000096492227 463287776 /nfs/dbraw/zinc/28/77/76/463287776.db2.gz MZXYOVZEYVDXCN-CQSZACIVSA-N 0 3 338.398 2.307 40 0 EEABHN Cn1cncc1CN1CC[C@@]2(CCC[C@@H]2C(=O)NCc2ccco2)C1 ZINC000108531018 463609499 /nfs/dbraw/zinc/60/94/99/463609499.db2.gz QDTMNCUFNLJUTJ-MJGOQNOKSA-N 0 3 342.443 2.322 40 0 EEABHN Cc1ccc(CN2CCC3(CC2)C[C@@H](NC(=O)N(C)C)CCO3)o1 ZINC000108525410 463609741 /nfs/dbraw/zinc/60/97/41/463609741.db2.gz MCGRNIQIUFRXLI-HNNXBMFYSA-N 0 3 335.448 2.373 40 0 EEABHN CN(C)Cc1cnc(CC2CCN(Cc3cccnc3)CC2)cn1 ZINC000257299256 463768506 /nfs/dbraw/zinc/76/85/06/463768506.db2.gz RPHZKPKDPGLJDH-UHFFFAOYSA-N 0 3 325.460 2.388 40 0 EEABHN CNC(=O)c1cccc([C@@H]2CNCCN2Cc2cc(F)cc(F)c2)c1 ZINC000257309461 463772203 /nfs/dbraw/zinc/77/22/03/463772203.db2.gz UBAUECVBCQVNFW-SFHVURJKSA-N 0 3 345.393 2.471 40 0 EEABHN CCc1cc(C(=O)N2CCO[C@H](c3cc(N(C)C)cc(C)n3)C2)on1 ZINC000257318263 463775477 /nfs/dbraw/zinc/77/54/77/463775477.db2.gz VNDPIDFEZMCFAB-KRWDZBQOSA-N 0 3 344.415 2.220 40 0 EEABHN COc1ccc(CNC(=O)c2ccccc2-n2cc(CN)cn2)cc1 ZINC000257326964 463779654 /nfs/dbraw/zinc/77/96/54/463779654.db2.gz WZGWPQOVHRJNSC-UHFFFAOYSA-N 0 3 336.395 2.270 40 0 EEABHN COc1cc(CN2CCC[C@H](c3nc(N(C)C)no3)C2)ccc1O ZINC000195004326 463975259 /nfs/dbraw/zinc/97/52/59/463975259.db2.gz RFOBEJLVVGUCNO-ZDUSSCGKSA-N 0 3 332.404 2.229 40 0 EEABHN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)C2(CN)CN)cc1 ZINC000218409202 464108826 /nfs/dbraw/zinc/10/88/26/464108826.db2.gz CLHGLAFITPAZDJ-QZTJIDSGSA-N 0 3 344.480 2.093 40 0 EEABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@]2(CN)CO)cc1 ZINC000242437475 464457106 /nfs/dbraw/zinc/45/71/06/464457106.db2.gz CCADMWIVQDUJHT-KSZLIROESA-N 0 3 349.427 2.011 40 0 EEABHN COc1ccccc1CN1C[C@H](c2ccccc2C)[C@@H](O)[C@H]1CO ZINC000585294430 469011219 /nfs/dbraw/zinc/01/12/19/469011219.db2.gz FIRGJMRQPNQJMJ-QWFCFKBJSA-N 0 3 327.424 2.325 40 0 EEABHN CN(C)CCNC(=O)CSCc1ccccc1Br ZINC000013669360 500765976 /nfs/dbraw/zinc/76/59/76/500765976.db2.gz MAWWJAFWBLGRQM-UHFFFAOYSA-N 0 3 331.279 2.360 40 0 EEABHN C[C@H](NC(=O)NCC1CCN(c2ccncc2)CC1)c1cnn(C)c1 ZINC000093127293 237044307 /nfs/dbraw/zinc/04/43/07/237044307.db2.gz QKJYGEJYJGCBFW-AWEZNQCLSA-N 0 3 342.447 2.092 40 0 EEABHN NCC(=O)N1CCC[C@@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000072363186 216169865 /nfs/dbraw/zinc/16/98/65/216169865.db2.gz RJKASNZJYVQKNS-GFCCVEGCSA-N 0 3 330.363 2.073 40 0 EEABHN CNc1cc(C)nc([C@H]2CN(C(=O)c3ccnn3C(C)C)CCO2)c1 ZINC000257223922 244194661 /nfs/dbraw/zinc/19/46/61/244194661.db2.gz DZNZJNDSOUBNBG-QGZVFWFLSA-N 0 3 343.431 2.423 40 0 EEABHN NCC(=O)NC1CCC(N(C(=O)OCc2ccccc2)C2CC2)CC1 ZINC000079412619 217221399 /nfs/dbraw/zinc/22/13/99/217221399.db2.gz OAJYBSVHPITBAF-UHFFFAOYSA-N 0 3 345.443 2.174 40 0 EEABHN CC(C)N(C[C@@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)CN ZINC000079392961 217218663 /nfs/dbraw/zinc/21/86/63/217218663.db2.gz LXJKWBVUEXJFOV-KRWDZBQOSA-N 0 3 347.459 2.373 40 0 EEABHN CC(C)[C@H](N)C(=O)N(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000079391456 217218861 /nfs/dbraw/zinc/21/88/61/217218861.db2.gz DYRNRSUXAFZOAT-GJZGRUSLSA-N 0 3 341.496 2.464 40 0 EEABHN CC(C)[C@H](N)C(=O)N(C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391410 217219057 /nfs/dbraw/zinc/21/90/57/217219057.db2.gz LQLASXCZZDISAA-KBPBESRZSA-N 0 3 327.469 2.075 40 0 EEABHN CC(C)N(C(=O)OCc1ccccc1)C1CCN(C(=O)[C@H](C)N)CC1 ZINC000079412976 217222202 /nfs/dbraw/zinc/22/22/02/217222202.db2.gz IOVRNRKHBNRLDV-HNNXBMFYSA-N 0 3 347.459 2.372 40 0 EEABHN C[C@H](N)C(=O)N1CCC(N(C(=O)OCc2ccccc2)C2CC2)CC1 ZINC000079413086 217222302 /nfs/dbraw/zinc/22/23/02/217222302.db2.gz TZIBWGXIHSNHNL-AWEZNQCLSA-N 0 3 345.443 2.126 40 0 EEABHN CCN(C[C@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)OC(C)(C)C ZINC000079410152 279230162 /nfs/dbraw/zinc/23/01/62/279230162.db2.gz YPGGLGFDBRYUPH-KGLIPLIRSA-N 0 3 327.469 2.218 40 0 EEABHN COc1cc(-c2nnc(SCCN(C)C)o2)cc(OC)c1OC ZINC000001872008 462587578 /nfs/dbraw/zinc/58/75/78/462587578.db2.gz PWPSLZCDCNKPLL-UHFFFAOYSA-N 0 3 339.417 2.416 40 0 EEABHN CC(C)c1cc(C(=O)N2CCC[C@H]2c2cc(CN(C)C)n(C)n2)n[nH]1 ZINC000019709088 463020440 /nfs/dbraw/zinc/02/04/40/463020440.db2.gz LGYIUPIOQRPIPL-KRWDZBQOSA-N 0 3 344.463 2.306 40 0 EEABHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc[nH]n1 ZINC000095453511 463088848 /nfs/dbraw/zinc/08/88/48/463088848.db2.gz GAQHTNROOHRSKC-HNNXBMFYSA-N 0 3 328.416 2.242 40 0 EEABHN Cn1cc(CN2CCC3(C2)CCN(Cc2nccs2)CC3)cn1 ZINC000096046614 463149879 /nfs/dbraw/zinc/14/98/79/463149879.db2.gz OJZYOHOKBRAJGJ-UHFFFAOYSA-N 0 3 331.489 2.365 40 0 EEABHN O=C(c1ccnnc1)N1CCC2(CCN(Cc3ccoc3)C2)CC1 ZINC000096062857 463163464 /nfs/dbraw/zinc/16/34/64/463163464.db2.gz MAOXGQNBSRUSDR-UHFFFAOYSA-N 0 3 326.400 2.198 40 0 EEABHN O=C([C@H]1CC[C@@H]2[C@@H](CCN2Cc2cccs2)O1)N1CCCCO1 ZINC000096187293 463198557 /nfs/dbraw/zinc/19/85/57/463198557.db2.gz WWVZLYGABGXBTO-BZUAXINKSA-N 0 3 336.457 2.424 40 0 EEABHN O=C(C[C@H]1CO[C@@H]2CN(CCc3ccccc3)C[C@H]12)N1CCCC1 ZINC000096219483 463215920 /nfs/dbraw/zinc/21/59/20/463215920.db2.gz KFEWLRYLSXDMRY-IPMKNSEASA-N 0 3 328.456 2.188 40 0 EEABHN Cc1ccnc(OC[C@@H]2Cn3cncc3CN(CC3CCC3)C2)n1 ZINC000096220215 463218059 /nfs/dbraw/zinc/21/80/59/463218059.db2.gz RDMGUWRPQXEHTP-INIZCTEOSA-N 0 3 327.432 2.292 40 0 EEABHN COc1ccccc1CN1CC[C@@H]2[C@@H](CO[C@@H]2CC(=O)NC(C)C)C1 ZINC000096219921 463218164 /nfs/dbraw/zinc/21/81/64/463218164.db2.gz GBLOXVORVYZMHO-ZHALLVOQSA-N 0 3 346.471 2.447 40 0 EEABHN CC1CCN(C[C@H](O)CNC(=O)c2csc(-c3ccoc3)n2)CC1 ZINC000096407860 463241608 /nfs/dbraw/zinc/24/16/08/463241608.db2.gz GXJPDPVOEKVQRS-CQSZACIVSA-N 0 3 349.456 2.226 40 0 EEABHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cccc(OCC(F)(F)F)n1 ZINC000096417024 463249314 /nfs/dbraw/zinc/24/93/14/463249314.db2.gz QFIMDSSLUAGKTH-LBPRGKRZSA-N 0 3 343.349 2.237 40 0 EEABHN COc1ncccc1CN(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000193568525 463718551 /nfs/dbraw/zinc/71/85/51/463718551.db2.gz DSGUNZRHLHTSEN-HXUWFJFHSA-N 0 3 341.455 2.159 40 0 EEABHN Cc1cc(C)nc(N2CCO[C@H](c3cc(N(C)C)cc(C)n3)C2)n1 ZINC000257248571 463757418 /nfs/dbraw/zinc/75/74/18/463757418.db2.gz JEGRVYTYCKKKKA-KRWDZBQOSA-N 0 3 327.432 2.441 40 0 EEABHN C[C@H]([NH3+])CC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000178914391 464012528 /nfs/dbraw/zinc/01/25/28/464012528.db2.gz JCDJMELXEXBJIY-ZETCQYMHSA-N 0 3 341.658 2.118 40 0 EEABHN Cc1nc(-c2noc3cc(N)ccc32)sc1C(=O)NCCN(C)C ZINC000206345352 464098112 /nfs/dbraw/zinc/09/81/12/464098112.db2.gz RKGDQDVKIBITBS-UHFFFAOYSA-N 0 3 345.428 2.133 40 0 EEABHN COC(=O)C1CCC(N[C@@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000192442686 464926349 /nfs/dbraw/zinc/92/63/49/464926349.db2.gz DINJELWHSZKKGK-HSBZDZAISA-N 0 3 329.404 2.045 40 0 EEABHN Cc1cc(S(C)(=O)=O)ccc1NC(=O)C1CCN(C2CC2)CC1 ZINC000192552566 464946031 /nfs/dbraw/zinc/94/60/31/464946031.db2.gz XJHSKQIRDKHBIU-UHFFFAOYSA-N 0 3 336.457 2.211 40 0 EEABHN CO[C@H](C)c1nsc(N2CC[C@@H](OCCN3CCCCC3)C2)n1 ZINC000252536256 464981266 /nfs/dbraw/zinc/98/12/66/464981266.db2.gz HZUKKOYWHAIONJ-ZIAGYGMSSA-N 0 3 340.493 2.327 40 0 EEABHN Cc1ccccc1OC[C@@]1(O)COCCN(CC2(O)CCCCC2)C1 ZINC000585276315 469000954 /nfs/dbraw/zinc/00/09/54/469000954.db2.gz GETMBWDNPAEMSL-FQEVSTJZSA-N 0 3 349.471 2.132 40 0 EEABHN Cc1ccccc1OC[C@]1(O)CCN(C(=O)C2(C)CCN(C)CC2)C1 ZINC000585276649 469001978 /nfs/dbraw/zinc/00/19/78/469001978.db2.gz OOAKVKFJJYPHKK-FQEVSTJZSA-N 0 3 346.471 2.069 40 0 EEABHN O[C@@]1(COc2ccc(F)c(F)c2)COCCN(C2CCCC2)C1 ZINC000585281333 469008339 /nfs/dbraw/zinc/00/83/39/469008339.db2.gz IKFDJRGFDLDOAA-QGZVFWFLSA-N 0 3 327.371 2.350 40 0 EEABHN O[C@H]1CCN(C2CCCC2)C[C@]1(O)COc1cccc(Cl)c1 ZINC000585283204 469008694 /nfs/dbraw/zinc/00/86/94/469008694.db2.gz RCCFEEVMTQPDOJ-IRXDYDNUSA-N 0 3 325.836 2.459 40 0 EEABHN CN(C)[C@@H](CNC(=O)c1ccc(-n2cccn2)nc1)c1ccccc1 ZINC000040050438 213255130 /nfs/dbraw/zinc/25/51/30/213255130.db2.gz WIYKDWQSIDZVPW-KRWDZBQOSA-N 0 3 335.411 2.300 40 0 EEABHN COCCN1CCC[C@@H](c2cc(Nc3cnccn3)nc(C)n2)C1 ZINC000072360197 216166528 /nfs/dbraw/zinc/16/65/28/216166528.db2.gz APEJYEFJDKTMBI-CQSZACIVSA-N 0 3 328.420 2.144 40 0 EEABHN NC(=O)CN1CCC[C@@H](CCc2ccnc(Nc3ccccn3)c2)C1 ZINC000072383082 216183785 /nfs/dbraw/zinc/18/37/85/216183785.db2.gz OWZFZMJOJXAXNC-INIZCTEOSA-N 0 3 339.443 2.350 40 0 EEABHN O=C([C@H]1CCCN1C1CCOCC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000253432266 296109515 /nfs/dbraw/zinc/10/95/15/296109515.db2.gz XNZNGDJECMQYHB-GXTWGEPZSA-N 0 3 334.382 2.431 40 0 EEABHN c1csc(COC[C@@H]2CC[C@@H]3[C@@H]2OCCN3C[C@H]2CCOC2)n1 ZINC000253595486 244029177 /nfs/dbraw/zinc/02/91/77/244029177.db2.gz FEKPTVAAXMGMDN-JYYAWHABSA-N 0 3 338.473 2.176 40 0 EEABHN COCc1cc(=O)[nH]c([C@@H]2CCCN(Cc3ccc(F)cc3)C2)n1 ZINC000019594309 212050387 /nfs/dbraw/zinc/05/03/87/212050387.db2.gz ODDFCHJCRGHJJJ-CQSZACIVSA-N 0 3 331.391 2.435 40 0 EEABHN CCC(CC)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@H+](C)CC3)C1 ZINC000019500142 212033900 /nfs/dbraw/zinc/03/39/00/212033900.db2.gz OHHBZTBDBDCDOW-CQSZACIVSA-N 0 3 346.475 2.312 40 0 EEABHN CCC(CC)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C)CC3)C1 ZINC000019500142 212033904 /nfs/dbraw/zinc/03/39/04/212033904.db2.gz OHHBZTBDBDCDOW-CQSZACIVSA-N 0 3 346.475 2.312 40 0 EEABHN COc1cc(CNCCNC(=O)CC2CCCC2)cc2c1OCO2 ZINC000078394287 217046369 /nfs/dbraw/zinc/04/63/69/217046369.db2.gz QLBUXQPSVKOSDD-UHFFFAOYSA-N 0 3 334.416 2.210 40 0 EEABHN CC(C)NC(=O)CCCC(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000079001714 217171965 /nfs/dbraw/zinc/17/19/65/217171965.db2.gz NUWQSWLOMCUBSX-MRXNPFEDSA-N 0 3 331.460 2.201 40 0 EEABHN Cc1ncccc1C(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000097238281 219003214 /nfs/dbraw/zinc/00/32/14/219003214.db2.gz TVGFZBCELVLATJ-SFHVURJKSA-N 0 3 339.439 2.277 40 0 EEABHN C[C@H](N)C(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257215594 298946187 /nfs/dbraw/zinc/94/61/87/298946187.db2.gz CQUSRBABJCSKPU-OFMUVSNFSA-N 0 3 344.455 2.500 40 0 EEABHN CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000097229390 278246395 /nfs/dbraw/zinc/24/63/95/278246395.db2.gz LYVWTCJMQCJPQU-JSGCOSHPSA-N 0 3 344.864 2.338 40 0 EEABHN C[C@@H]1CN(C)CCN1CC1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000085468117 462548529 /nfs/dbraw/zinc/54/85/29/462548529.db2.gz VKKFNYZAFMGTJI-OAHLLOKOSA-N 0 3 333.451 2.314 40 0 EEABHN CN1[C@H](c2ccco2)NC(=O)C12CCN(Cc1ccccc1)CC2 ZINC000005004653 462643812 /nfs/dbraw/zinc/64/38/12/462643812.db2.gz XOOIFNPNJOAIPL-QGZVFWFLSA-N 0 3 325.412 2.375 40 0 EEABHN COCCCn1ccc(NC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)n1 ZINC000077513031 462998073 /nfs/dbraw/zinc/99/80/73/462998073.db2.gz SRLJKPHIUUJOIM-CABCVRRESA-N 0 3 337.468 2.162 40 0 EEABHN CCN1CCO[C@@H]2CN(C(=O)c3ccc(OC)c(Cl)c3)C[C@@H]2C1 ZINC000096107970 463174920 /nfs/dbraw/zinc/17/49/20/463174920.db2.gz HEDHOBYPWNDRAA-XJKSGUPXSA-N 0 3 338.835 2.141 40 0 EEABHN COc1ccc(CN2CCO[C@H]3CN(C4CCC4)CC[C@H]3C2=O)cc1 ZINC000096107169 463175257 /nfs/dbraw/zinc/17/52/57/463175257.db2.gz WKNUXUOUUPBDKN-MOPGFXCFSA-N 0 3 344.455 2.297 40 0 EEABHN O=C([C@@H]1CCCO1)N1CC[C@]2(C1)CCCN(Cc1ccccn1)C2 ZINC000096158073 463189238 /nfs/dbraw/zinc/18/92/38/463189238.db2.gz HFVMYKXMVUEENX-PKOBYXMFSA-N 0 3 329.444 2.075 40 0 EEABHN CC[C@H](NC(=O)N[C@@H]1CCN(CCOC)C1)c1ccc(F)cc1F ZINC000096415562 463248319 /nfs/dbraw/zinc/24/83/19/463248319.db2.gz ZBDVPTFQVXEGGQ-CJNGLKHVSA-N 0 3 341.402 2.436 40 0 EEABHN N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000096481244 463281464 /nfs/dbraw/zinc/28/14/64/463281464.db2.gz MUVKBKFUYKDGGC-ZWKOTPCHSA-N 0 3 328.387 2.296 40 0 EEABHN Cc1cn2c(n1)CC[C@H](N[C@@H]1CCCN(c3ccccc3F)C1=O)C2 ZINC000096486205 463283997 /nfs/dbraw/zinc/28/39/97/463283997.db2.gz HIATWEVIZJVSRJ-GOEBONIOSA-N 0 3 342.418 2.431 40 0 EEABHN c1ccc(CN2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)nc1 ZINC000108533514 463611867 /nfs/dbraw/zinc/61/18/67/463611867.db2.gz NKPKXFLVNROUIF-MRXNPFEDSA-N 0 3 339.443 2.497 40 0 EEABHN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2NC[C@@H](C)CO)cc1 ZINC000185120820 463756471 /nfs/dbraw/zinc/75/64/71/463756471.db2.gz ZBZPKPVXZXDFMW-HYVNUMGLSA-N 0 3 325.474 2.298 40 0 EEABHN O=C(NCc1nccs1)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000194058429 463782500 /nfs/dbraw/zinc/78/25/00/463782500.db2.gz CKYYMNNBLSPBIU-OAHLLOKOSA-N 0 3 330.457 2.464 40 0 EEABHN C[C@H](O)[C@@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000245289772 464469560 /nfs/dbraw/zinc/46/95/60/464469560.db2.gz DZQBIFHECHWATN-QXAKKESOSA-N 0 3 345.487 2.311 40 0 EEABHN CN(Cc1ccco1)C[C@H]1CCC2(CN(C(=O)c3cocn3)C2)OC1 ZINC000306125321 466487265 /nfs/dbraw/zinc/48/72/65/466487265.db2.gz CMNIXRGHOLUCQC-CQSZACIVSA-N 0 3 345.399 2.021 40 0 EEABHN c1cc(N2CCOCC2)cn2nc([C@@H]3CCCN(C4CCC4)C3)nc12 ZINC000306142920 466493202 /nfs/dbraw/zinc/49/32/02/466493202.db2.gz XOCMEZDMRILORA-OAHLLOKOSA-N 0 3 341.459 2.298 40 0 EEABHN Cc1ccc(OCc2nnc3n2CCN(C2CCC2)[C@H](C)C3)cn1 ZINC000585097551 468965406 /nfs/dbraw/zinc/96/54/06/468965406.db2.gz LQCJCWTZCFVBPR-CQSZACIVSA-N 0 3 327.432 2.360 40 0 EEABHN COCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000585109568 468974025 /nfs/dbraw/zinc/97/40/25/468974025.db2.gz BQGJCDOTNUEVNV-CMKODMSKSA-N 0 3 337.423 2.115 40 0 EEABHN CNC(=O)c1cccc([C@@H]2CNCCN2Cc2ccc(F)cc2F)c1 ZINC000585182480 468996235 /nfs/dbraw/zinc/99/62/35/468996235.db2.gz PNLOTFBKLOHPJL-SFHVURJKSA-N 0 3 345.393 2.471 40 0 EEABHN CN(CCS[C@@H]1CCN(c2cnn(C)c2)C1=O)Cc1ccccc1 ZINC000193629296 240240916 /nfs/dbraw/zinc/24/09/16/240240916.db2.gz OCVLVMLBZLUJKP-QGZVFWFLSA-N 0 3 344.484 2.391 40 0 EEABHN CNc1cc(C)nc([C@@H]2CN(C(=O)CC3(O)CCCCC3)CCO2)c1 ZINC000257271150 244376739 /nfs/dbraw/zinc/37/67/39/244376739.db2.gz MXBUWXHSNYLPSH-KRWDZBQOSA-N 0 3 347.459 2.417 40 0 EEABHN Cc1ccc(C(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)cc1 ZINC000257276222 244395069 /nfs/dbraw/zinc/39/50/69/244395069.db2.gz NSWDFFKJCSCVDJ-KRWDZBQOSA-N 0 3 338.398 2.303 40 0 EEABHN CC(C)[C@H](N)C(=O)N(C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079391492 217218514 /nfs/dbraw/zinc/21/85/14/217218514.db2.gz IFPORPVXMFXRJB-HNNXBMFYSA-N 0 3 339.480 2.360 40 0 EEABHN CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@H]1N(C)C(=O)OC(C)(C)C ZINC000079410133 217222042 /nfs/dbraw/zinc/22/20/42/217222042.db2.gz QQZPIXIVQAOUCY-MJBXVCDLSA-N 0 3 327.469 2.264 40 0 EEABHN C[C@H](NC(=O)CN[C@@H](c1ccccc1)C1CCCC1)C(=O)N(C)C ZINC000096405531 299059489 /nfs/dbraw/zinc/05/94/89/299059489.db2.gz FBNQACURHRZCHS-KSSFIOAISA-N 0 3 331.460 2.100 40 0 EEABHN NCC(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 ZINC000257227918 303365333 /nfs/dbraw/zinc/36/53/33/303365333.db2.gz FROFBVNIYRJZOZ-CQSZACIVSA-N 0 3 345.834 2.392 40 0 EEABHN O=S1(=O)CCC[C@@H](NC[C@@H]2CCCN2CC2CCCCC2)C1 ZINC000182921644 323392713 /nfs/dbraw/zinc/39/27/13/323392713.db2.gz AVDSEJIAOGQUCC-SJORKVTESA-N 0 3 328.522 2.198 40 0 EEABHN CC[C@@H](NC(=O)C[C@@H]1CNCCO1)c1ccc(Br)cc1 ZINC000091299949 462871735 /nfs/dbraw/zinc/87/17/35/462871735.db2.gz AGOIARMIRMDQNI-ZIAGYGMSSA-N 0 3 341.249 2.395 40 0 EEABHN Cc1ccc(CN2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)o1 ZINC000096048703 463153701 /nfs/dbraw/zinc/15/37/01/463153701.db2.gz SOVMMVTYJZUGQO-GOSISDBHSA-N 0 3 326.400 2.397 40 0 EEABHN C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCC(=O)N1CCC1 ZINC000096405358 463239607 /nfs/dbraw/zinc/23/96/07/463239607.db2.gz VMSHJFNRXAGLTP-KDOFPFPSSA-N 0 3 339.480 2.282 40 0 EEABHN CC(C)[C@H](CNc1nccc2c1C(=O)OC2(C)C)N1CCN(C)CC1 ZINC000096429134 463258924 /nfs/dbraw/zinc/25/89/24/463258924.db2.gz HCZOFPNABKXUJC-HNNXBMFYSA-N 0 3 346.475 2.171 40 0 EEABHN CC[C@H](NC(=O)C(C)S(C)(=O)=O)c1nc(C(F)(F)F)cs1 ZINC000096443886 463269562 /nfs/dbraw/zinc/26/95/62/463269562.db2.gz DVBJXHJNHRVPEC-RQJHMYQMSA-N 0 3 344.380 2.162 40 0 EEABHN CCN1CCC(N(C(=O)c2nnc3ccccc3c2N)C2CC2)CC1 ZINC000096444663 463269870 /nfs/dbraw/zinc/26/98/70/463269870.db2.gz UZUCBELGEQPLPU-UHFFFAOYSA-N 0 3 339.443 2.301 40 0 EEABHN Cc1cccc(NC2CCN(C(=O)CN(C)[C@H]3CCSC3)CC2)n1 ZINC000096486761 463285357 /nfs/dbraw/zinc/28/53/57/463285357.db2.gz QSJUITCURJONCR-INIZCTEOSA-N 0 3 348.516 2.230 40 0 EEABHN COCCN1CCC[C@@H](Cc2cnc(-c3c(C)nn(C)c3C)cn2)C1 ZINC000257303611 463770800 /nfs/dbraw/zinc/77/08/00/463770800.db2.gz SHXTVPMHQXUOTF-INIZCTEOSA-N 0 3 343.475 2.395 40 0 EEABHN CCOCCOc1c(Cl)cccc1NC(=O)[C@@]1(F)CCNC1 ZINC000195543323 464074797 /nfs/dbraw/zinc/07/47/97/464074797.db2.gz YWAPMWPHMALJHD-OAHLLOKOSA-N 0 3 330.787 2.395 40 0 EEABHN COc1c2c(c([C@@](C)(N)C(F)(F)F)c3c1CN(C)CC3)OCO2 ZINC000242522384 464457422 /nfs/dbraw/zinc/45/74/22/464457422.db2.gz IPXZSLFLYBQLCL-CQSZACIVSA-N 0 3 332.322 2.148 40 0 EEABHN CN(C)CCOc1cc(C(=O)N2CCC[C@H](C(F)(F)F)C2)ccn1 ZINC000183085248 464792663 /nfs/dbraw/zinc/79/26/63/464792663.db2.gz JUZFPTASYGJUJE-ZDUSSCGKSA-N 0 3 345.365 2.437 40 0 EEABHN COc1cccc(CN2CCOC[C@H](CC(=O)NCC3CC3)[C@H]2C)c1 ZINC000249693032 464904237 /nfs/dbraw/zinc/90/42/37/464904237.db2.gz NIQZSMPDDDWYAO-QAPCUYQASA-N 0 3 346.471 2.448 40 0 EEABHN COC(=O)C1CCC(N[C@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000192442688 464925988 /nfs/dbraw/zinc/92/59/88/464925988.db2.gz DINJELWHSZKKGK-IYXRBSQSSA-N 0 3 329.404 2.045 40 0 EEABHN C[C@@H]1C[C@@H](NC[C@H]2CCCS2(=O)=O)CN(Cc2ccccc2)C1 ZINC000253370261 464994716 /nfs/dbraw/zinc/99/47/16/464994716.db2.gz OJYRIAPFBRZRKD-KBAYOESNSA-N 0 3 336.501 2.064 40 0 EEABHN CCC(C)(C)N1CCN(C(=O)Nc2cc(C)cc(C(N)=O)c2)CC1 ZINC000585090791 468962342 /nfs/dbraw/zinc/96/23/42/468962342.db2.gz JEJRXUGYHJBLFO-UHFFFAOYSA-N 0 3 332.448 2.432 40 0 EEABHN Cc1ccc(N2C[C@]3(CCN(C(=O)CN(C)C(C)C)C3)CC2=O)cc1 ZINC000585101578 468969017 /nfs/dbraw/zinc/96/90/17/468969017.db2.gz TZDMUHDRIYKBAZ-HXUWFJFHSA-N 0 3 343.471 2.291 40 0 EEABHN Cc1cncc(CN2CCC3(CC(NC(=O)OCCF)C3)CC2)n1 ZINC000585103388 468970401 /nfs/dbraw/zinc/97/04/01/468970401.db2.gz OTAHESKJBOFFOI-UHFFFAOYSA-N 0 3 336.411 2.225 40 0 EEABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2ccc(F)c(F)c2)c1 ZINC000585182465 468995567 /nfs/dbraw/zinc/99/55/67/468995567.db2.gz DJJGFTGUCUJWGQ-GOSISDBHSA-N 0 3 345.393 2.471 40 0 EEABHN COC[C@@]1(CC(=O)N(C)C)CCCN1Cc1c[nH]nc1C(C)(C)C ZINC000585278056 469003755 /nfs/dbraw/zinc/00/37/55/469003755.db2.gz PTCMYYZAYRFZHZ-SFHVURJKSA-N 0 3 336.480 2.167 40 0 EEABHN CC(=O)N1CCCN([C@H]2CCC[C@@H](Oc3ccccc3C)[C@@H]2O)CC1 ZINC000585289553 469011432 /nfs/dbraw/zinc/01/14/32/469011432.db2.gz RLBVZXCHDDWFAQ-DFQSSKMNSA-N 0 3 346.471 2.210 40 0 EEABHN CC(C)(CNC(=O)NC[C@H]1CC[C@@H](O)C1)N1CCc2ccccc2C1 ZINC000190124295 527136237 /nfs/dbraw/zinc/13/62/37/527136237.db2.gz GJLLJWZGBZIDTJ-MAUKXSAKSA-N 0 3 345.487 2.284 40 0 EEABHN CC(C)N1CCN(CCCN(C)Cc2cn3c(n2)CCCC3)CC1 ZINC000225723960 535200242 /nfs/dbraw/zinc/20/02/42/535200242.db2.gz NRJWSSUDAAKGMR-UHFFFAOYSA-N 0 3 333.524 2.067 40 0 EEABHN Cc1cc2c(cc1C[N@H+]1CC[C@H](c3cc(=O)[n-]c(C)n3)C1)OCO2 ZINC000072337800 216156920 /nfs/dbraw/zinc/15/69/20/216156920.db2.gz WKZOZYINDOETDW-ZDUSSCGKSA-N 0 3 327.384 2.105 40 0 EEABHN Cc1cc2c(cc1C[N@@H+]1CC[C@H](c3cc(=O)[n-]c(C)n3)C1)OCO2 ZINC000072337800 216156922 /nfs/dbraw/zinc/15/69/22/216156922.db2.gz WKZOZYINDOETDW-ZDUSSCGKSA-N 0 3 327.384 2.105 40 0 EEABHN Cc1cc(CCC(=O)NCc2ccnn2C)cc([C@H]2CCCN2C)n1 ZINC000072366874 216172915 /nfs/dbraw/zinc/17/29/15/216172915.db2.gz ZMNWQPQHYFNTLO-GOSISDBHSA-N 0 3 341.459 2.139 40 0 EEABHN COCCNc1ccc(C[C@@H]2CCCN(Cc3ccccn3)C2)nn1 ZINC000072387319 216186383 /nfs/dbraw/zinc/18/63/83/216186383.db2.gz FBGLCKWNHXSSRI-INIZCTEOSA-N 0 3 341.459 2.385 40 0 EEABHN CN(C)c1ncccc1CN1CC[C@H](C(=O)Nc2ccccn2)C1 ZINC000019747823 212060990 /nfs/dbraw/zinc/06/09/90/212060990.db2.gz FGRLZIZPLNGMFA-HNNXBMFYSA-N 0 3 325.416 2.003 40 0 EEABHN CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2ccc(C(N)=O)cc2)C1 ZINC000078393990 217046948 /nfs/dbraw/zinc/04/69/48/217046948.db2.gz DSECOMDDMZKUTP-CQSZACIVSA-N 0 3 333.432 2.132 40 0 EEABHN C[C@H](N)C(=O)N(C1CC1)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079393202 217219606 /nfs/dbraw/zinc/21/96/06/217219606.db2.gz JXHZOYALSOLGDP-WMLDXEAASA-N 0 3 345.443 2.126 40 0 EEABHN CN1CCC(NC(=O)c2cccn2-c2ccc3c(c2)OCCO3)CC1 ZINC000095402430 218337912 /nfs/dbraw/zinc/33/79/12/218337912.db2.gz VPJCDVNIOIGGBD-UHFFFAOYSA-N 0 3 341.411 2.073 40 0 EEABHN [NH3+][C@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000095432058 218374999 /nfs/dbraw/zinc/37/49/99/218374999.db2.gz YWVUQVKSDQTDOK-CYBMUJFWSA-N 0 3 330.331 2.082 40 0 EEABHN CCN1CCO[C@@H]2CN(C(=O)c3cc(OC)ccc3Cl)C[C@@H]2C1 ZINC000096107969 276390999 /nfs/dbraw/zinc/39/09/99/276390999.db2.gz JBHXIMWLBVPSQZ-BLLLJJGKSA-N 0 3 338.835 2.141 40 0 EEABHN C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1N(C(=O)OC(C)(C)C)C1CC1 ZINC000079409938 298947378 /nfs/dbraw/zinc/94/73/78/298947378.db2.gz RHLFUOVDQAIGMZ-YUTCNCBUSA-N 0 3 325.453 2.161 40 0 EEABHN CCC[C@H](N)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000097228783 323321419 /nfs/dbraw/zinc/32/14/19/323321419.db2.gz BGAJEVBLNLFJKT-UONOGXRCSA-N 0 3 341.249 2.476 40 0 EEABHN CCn1cc(C(=O)NC[C@@H]2CCN(C)C2)c(=O)c2cc(Cl)ccc21 ZINC000097375223 323322449 /nfs/dbraw/zinc/32/24/49/323322449.db2.gz YWQSEDQGFVNGDT-LBPRGKRZSA-N 0 3 347.846 2.356 40 0 EEABHN C[C@@H](NCc1cc(=O)n2ccsc2n1)[C@H]1COc2ccccc21 ZINC000185631954 323436916 /nfs/dbraw/zinc/43/69/16/323436916.db2.gz FLNGTJGLSLPZKJ-BXUZGUMPSA-N 0 3 327.409 2.410 40 0 EEABHN CCn1nc(C)c(NC(=O)CC2(N3CCOCC3)CCCC2)c1C ZINC000074066640 462550966 /nfs/dbraw/zinc/55/09/66/462550966.db2.gz JQLFBJLRKCQPGT-UHFFFAOYSA-N 0 3 334.464 2.493 40 0 EEABHN COc1ccc2c(c1)OCC[C@H]2NC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000074661962 462621594 /nfs/dbraw/zinc/62/15/94/462621594.db2.gz GNQNLYZGJAYOCX-WMLDXEAASA-N 0 3 345.443 2.399 40 0 EEABHN CN(Cc1cncnc1)[C@@H]1CN(Cc2ccco2)C[C@@H]2CCCO[C@H]12 ZINC000096040709 463144982 /nfs/dbraw/zinc/14/49/82/463144982.db2.gz WAYGVQOMXPNYJV-UHOSZYNNSA-N 0 3 342.443 2.181 40 0 EEABHN O=C1N(Cc2ccccn2)CCC12CCN(Cc1ccccn1)CC2 ZINC000096046901 463150809 /nfs/dbraw/zinc/15/08/09/463150809.db2.gz WZGJYPJKKCBZQN-UHFFFAOYSA-N 0 3 336.439 2.491 40 0 EEABHN CC1CCN(C[C@H](O)COc2cccc(N3CCCC3=O)c2)CC1 ZINC000096484786 463283478 /nfs/dbraw/zinc/28/34/78/463283478.db2.gz PEGFLEDPIHJZOU-KRWDZBQOSA-N 0 3 332.444 2.285 40 0 EEABHN Nc1nccnc1C[C@@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000257343889 463787342 /nfs/dbraw/zinc/78/73/42/463787342.db2.gz ZUTWOOMDLIPLSU-AWEZNQCLSA-N 0 3 340.427 2.285 40 0 EEABHN O=C(NC[C@H]1CCN(Cc2ccccc2)C1)NCC1CCOCC1 ZINC000194121667 463795313 /nfs/dbraw/zinc/79/53/13/463795313.db2.gz LDDGDRQTRPXIAK-GOSISDBHSA-N 0 3 331.460 2.234 40 0 EEABHN CC(C)N(C)C(=O)C1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000195544204 464074666 /nfs/dbraw/zinc/07/46/66/464074666.db2.gz MANJIERHCLCIMK-QGZVFWFLSA-N 0 3 331.460 2.182 40 0 EEABHN Cc1cn2c(n1)CC[C@H](N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1)C2 ZINC000195561615 464077860 /nfs/dbraw/zinc/07/78/60/464077860.db2.gz DGRXODPOKJJDIO-HOTGVXAUSA-N 0 3 347.484 2.267 40 0 EEABHN Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(CN)CO)cc1 ZINC000242648597 464458512 /nfs/dbraw/zinc/45/85/12/464458512.db2.gz RCZVEFRQLJYONB-GUDVDZBRSA-N 0 3 345.464 2.181 40 0 EEABHN Cc1ccsc1CN1CCN(C2=NO[C@@H]3CN(C(C)C)C[C@H]23)CC1 ZINC000306129346 466490166 /nfs/dbraw/zinc/49/01/66/466490166.db2.gz IBASQDVAOJDOPD-JKSUJKDBSA-N 0 3 348.516 2.227 40 0 EEABHN COc1ccc(C(=O)N2Cc3ccnn3CC[C@@H]2CN(C)C)cc1F ZINC000585097470 468965349 /nfs/dbraw/zinc/96/53/49/468965349.db2.gz LZSRGAOPJKIMJO-CQSZACIVSA-N 0 3 346.406 2.007 40 0 EEABHN O[C@]1(COc2ccc(F)c(Cl)c2)COCCN(C2CCC2)C1 ZINC000585284196 469008025 /nfs/dbraw/zinc/00/80/25/469008025.db2.gz VPPVWFYTSRQSIY-INIZCTEOSA-N 0 3 329.799 2.474 40 0 EEABHN C[C@H](N)C(=O)N(C1CC1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000100178025 219093545 /nfs/dbraw/zinc/09/35/45/219093545.db2.gz OWRKRPGRLYIGNZ-RWMBFGLXSA-N 0 3 325.453 2.161 40 0 EEABHN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(Cc2ccnc(N)c2)C1 ZINC000193443185 240166945 /nfs/dbraw/zinc/16/69/45/240166945.db2.gz OOMJFOXJNODLGH-IAGOWNOFSA-N 0 3 325.412 2.443 40 0 EEABHN COC[C@@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218559126 241330516 /nfs/dbraw/zinc/33/05/16/241330516.db2.gz QOLBHTYYYIAOBA-SQNIBIBYSA-N 0 3 349.427 2.357 40 0 EEABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)c3cccnc3OC)C2)c1 ZINC000257273418 244385851 /nfs/dbraw/zinc/38/58/51/244385851.db2.gz NGMKTERIPXGXNQ-CYBMUJFWSA-N 0 3 326.400 2.465 40 0 EEABHN COc1cccc(CN[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H](O)[C@@H]2O)c1 ZINC000257310057 244488031 /nfs/dbraw/zinc/48/80/31/244488031.db2.gz UDNCLDITLATPHP-UAFMIMERSA-N 0 3 343.423 2.117 40 0 EEABHN Cc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)N1Cc1cc(F)ccc1F ZINC000019286344 212010035 /nfs/dbraw/zinc/01/00/35/212010035.db2.gz NILSUPSGPNCTSF-KGLIPLIRSA-N 0 3 331.366 2.488 40 0 EEABHN CC(C(=O)N1C[C@@H](C)O[C@@H](C)C1)S(=O)(=O)CC1CCCCC1 ZINC000078556408 217076886 /nfs/dbraw/zinc/07/68/86/217076886.db2.gz ZQQLXBHAOOHJIO-HZSPNIEDSA-N 0 3 331.478 2.006 40 0 EEABHN CC[C@H](NC(=O)C(C)S(C)(=O)=O)c1ccc(Br)cc1 ZINC000079038591 217179806 /nfs/dbraw/zinc/17/98/06/217179806.db2.gz IQPFOKVYXLBAFD-CABZTGNLSA-N 0 3 348.262 2.450 40 0 EEABHN CC(C)N(C(=O)OCc1ccccc1)[C@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079412965 217221403 /nfs/dbraw/zinc/22/14/03/217221403.db2.gz XXIRAFXTDSJJJK-RDJZCZTQSA-N 0 3 347.459 2.372 40 0 EEABHN CCc1ccccc1NC(=O)C[C@H](C)NC[C@](C)(O)c1cnn(C)c1 ZINC000095423101 218365156 /nfs/dbraw/zinc/36/51/56/218365156.db2.gz OUFHWUPEANRFGN-LIRRHRJNSA-N 0 3 344.459 2.197 40 0 EEABHN Cc1nc2ccccc2c(N2CCN(CCS(C)(=O)=O)CC2)c1C ZINC000097371930 219016254 /nfs/dbraw/zinc/01/62/54/219016254.db2.gz XMTMRQWKVBNLRK-UHFFFAOYSA-N 0 3 347.484 2.018 40 0 EEABHN O=C([C@H]1CCCN1C1CCOCC1)N1CCOC2(CCCCC2)C1 ZINC000193309699 280132018 /nfs/dbraw/zinc/13/20/18/280132018.db2.gz RUVSZPIBYXHBHR-QGZVFWFLSA-N 0 3 336.476 2.192 40 0 EEABHN Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000054969018 301160475 /nfs/dbraw/zinc/16/04/75/301160475.db2.gz VHUDIFDRYZJSJM-VXGBXAGGSA-N 0 3 330.354 2.078 40 0 EEABHN O=C(c1cscn1)N1C[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000096053936 463156339 /nfs/dbraw/zinc/15/63/39/463156339.db2.gz CFSFRHHKPFKMTB-ZIAGYGMSSA-N 0 3 331.416 2.486 40 0 EEABHN Cc1cccc(CN2CCC3(CC2)CN(c2ncccn2)CCO3)n1 ZINC000096159026 463190454 /nfs/dbraw/zinc/19/04/54/463190454.db2.gz KSWDRRHTCRJWBN-UHFFFAOYSA-N 0 3 339.443 2.051 40 0 EEABHN C[C@@H]1CN(Cc2cnn(C)c2)C[C@]12CCN(c1ccsc1)C2=O ZINC000096201767 463207047 /nfs/dbraw/zinc/20/70/47/463207047.db2.gz VUNDXGJUZCNMBT-CXAGYDPISA-N 0 3 330.457 2.357 40 0 EEABHN O=C(NC1CC1)N1CCOC[C@@]2(CCN(Cc3cccs3)C2)C1 ZINC000096202195 463207504 /nfs/dbraw/zinc/20/75/04/463207504.db2.gz ZTJLSNXVHXIBIU-QGZVFWFLSA-N 0 3 335.473 2.144 40 0 EEABHN O=C([C@@H]1CCC2(CCN(Cc3cccnc3)CC2)CO1)N1CCCC1 ZINC000096224931 463221147 /nfs/dbraw/zinc/22/11/47/463221147.db2.gz XBPPXWCDOGYGEJ-SFHVURJKSA-N 0 3 343.471 2.465 40 0 EEABHN Cc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2cnn(C)c2)C3)cc1 ZINC000096296308 463234141 /nfs/dbraw/zinc/23/41/41/463234141.db2.gz LEXXNOMZUPAWKR-KRWDZBQOSA-N 0 3 337.427 2.281 40 0 biogenic,in-vitro EEABHN CN1CCC[C@H](CNC(=O)NCCCc2nc3ccccc3[nH]2)C1 ZINC000084850842 463634984 /nfs/dbraw/zinc/63/49/84/463634984.db2.gz GRCXLTQSWBVMMX-CQSZACIVSA-N 0 3 329.448 2.137 40 0 EEABHN Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)CO)cc1 ZINC000218400959 464109353 /nfs/dbraw/zinc/10/93/53/464109353.db2.gz RCZVEFRQLJYONB-QRVBRYPASA-N 0 3 345.464 2.181 40 0 EEABHN Cc1cc(C)c(N2CC[C@H](N[C@H]3CCCC[C@H]3C(N)=O)C2=O)c(C)c1 ZINC000249030445 464832024 /nfs/dbraw/zinc/83/20/24/464832024.db2.gz FDPBGLGZDXUIKV-IKGGRYGDSA-N 0 3 343.471 2.351 40 0 EEABHN CCN1CCC[C@@H](NC(=O)N2CCO[C@@H](c3nc(C)cs3)C2)C1 ZINC000249301648 464860948 /nfs/dbraw/zinc/86/09/48/464860948.db2.gz SENNSVGLOZDSTG-ZIAGYGMSSA-N 0 3 338.477 2.019 40 0 EEABHN O=C(NCCN1CCC2(CCCCC2)CC1)N[C@@H]1C=C[C@H](CO)C1 ZINC000252502778 464972353 /nfs/dbraw/zinc/97/23/53/464972353.db2.gz USYBJUJGULTIQK-DLBZAZTESA-N 0 3 335.492 2.269 40 0 EEABHN COc1ccc(CN2CCC3(CC2)CN(C)Cc2nnc(C)n23)cc1 ZINC000306135808 466490851 /nfs/dbraw/zinc/49/08/51/466490851.db2.gz PBMMYPHCWHYTOM-UHFFFAOYSA-N 0 3 341.459 2.032 40 0 EEABHN CO[C@H]1CCCN(Cc2c[nH]nc2C)[C@H]1CCC(=O)N1CCCC1 ZINC000585275290 468998808 /nfs/dbraw/zinc/99/88/08/468998808.db2.gz CEVFPNLJZZIIAR-IRXDYDNUSA-N 0 3 334.464 2.100 40 0 EEABHN Cc1cccc(CN2CCC(C)(c3n[nH]cc3C(=O)N(C)C)CC2)n1 ZINC000072388900 216189128 /nfs/dbraw/zinc/18/91/28/216189128.db2.gz WNTNGXWTLREZPG-UHFFFAOYSA-N 0 3 341.459 2.369 40 0 EEABHN COc1ccc(C[N@H+]2CC[C@H](c3cc(=O)[n-]c(C)n3)C2)cc1OC ZINC000019285236 212010394 /nfs/dbraw/zinc/01/03/94/212010394.db2.gz HLYWLUOCYWMRFI-AWEZNQCLSA-N 0 3 329.400 2.085 40 0 EEABHN COc1ccc(C[N@@H+]2CC[C@H](c3cc(=O)[n-]c(C)n3)C2)cc1OC ZINC000019285236 212010392 /nfs/dbraw/zinc/01/03/92/212010392.db2.gz HLYWLUOCYWMRFI-AWEZNQCLSA-N 0 3 329.400 2.085 40 0 EEABHN COc1ccc(C(=O)N2CCC(CN3CCN(C)C[C@H]3C)CC2)cc1 ZINC000085468173 462549253 /nfs/dbraw/zinc/54/92/53/462549253.db2.gz RINMFIRKQKMJBQ-MRXNPFEDSA-N 0 3 345.487 2.183 40 0 EEABHN CN1CCN([C@H]2COC3(C2)CCN(Cc2cccs2)CC3)CC1 ZINC000096048838 463153101 /nfs/dbraw/zinc/15/31/01/463153101.db2.gz ONPNBMVRPWPYMW-MRXNPFEDSA-N 0 3 335.517 2.119 40 0 EEABHN CCS(=O)(=O)N1CCC2(CC[C@H]2N(C)Cc2ccco2)CC1 ZINC000096051603 463154915 /nfs/dbraw/zinc/15/49/15/463154915.db2.gz CSRAQTDCMAIDGB-OAHLLOKOSA-N 0 3 326.462 2.306 40 0 EEABHN c1cc(CN2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccncc2)co1 ZINC000096201018 463206091 /nfs/dbraw/zinc/20/60/91/463206091.db2.gz SMUCDFHPSLRETG-MOPGFXCFSA-N 0 3 327.428 2.192 40 0 EEABHN CN1CCN(C[C@H]2CCC[C@]3(CCN(Cc4ccco4)C3)O2)CC1 ZINC000096207094 463209740 /nfs/dbraw/zinc/20/97/40/463209740.db2.gz KMCGIGWIECQYCW-RTBURBONSA-N 0 3 333.476 2.041 40 0 EEABHN CN(C)C(=O)N[C@H]1COCCC12CCN(Cc1ccsc1)CC2 ZINC000096215839 463213127 /nfs/dbraw/zinc/21/31/27/463213127.db2.gz LPFRVPMSNXLBSW-HNNXBMFYSA-N 0 3 337.489 2.390 40 0 EEABHN Cc1cccc(CN2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)n1 ZINC000096224565 463220656 /nfs/dbraw/zinc/22/06/56/463220656.db2.gz BARVWMOMLIULJG-LJQANCHMSA-N 0 3 337.427 2.199 40 0 EEABHN CO[C@H](C)c1cccc(NC(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000096434541 463262321 /nfs/dbraw/zinc/26/23/21/463262321.db2.gz YGROJFCMHTYHKI-JKSUJKDBSA-N 0 3 348.491 2.399 40 0 EEABHN O=C(NCc1ccccc1CN1CCC(O)CC1)N1C[C@@H]2CC[C@H]1C2 ZINC000096455193 463275442 /nfs/dbraw/zinc/27/54/42/463275442.db2.gz IEPQDNUQGSNSMB-QAPCUYQASA-N 0 3 343.471 2.337 40 0 EEABHN C[C@H](NCc1ccc(CN2CCC(O)CC2)cc1)c1cnn(C)c1 ZINC000096477213 463280306 /nfs/dbraw/zinc/28/03/06/463280306.db2.gz FBLOCCIYHYOSFY-HNNXBMFYSA-N 0 3 328.460 2.228 40 0 EEABHN C[C@H](O)[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000096502514 463292630 /nfs/dbraw/zinc/29/26/30/463292630.db2.gz DZQBIFHECHWATN-YTQUADARSA-N 0 3 345.487 2.311 40 0 EEABHN COc1ccccc1[C@H](CN)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000038541238 463447140 /nfs/dbraw/zinc/44/71/40/463447140.db2.gz FLWOQQLEUGTSJR-HIFRSBDPSA-N 0 3 335.448 2.294 40 0 EEABHN Cc1ncc(CNC[C@@H](C)N2CCOC[C@@H]2C)n1-c1ccccc1 ZINC000084024489 463574623 /nfs/dbraw/zinc/57/46/23/463574623.db2.gz VNJSLQRABNJJMJ-CVEARBPZSA-N 0 3 328.460 2.380 40 0 EEABHN Cc1cccc(CN2CCC3(CC2)C[C@H](NC(=O)C2CC2)CCO3)n1 ZINC000108527510 463609877 /nfs/dbraw/zinc/60/98/77/463609877.db2.gz ZTTZDYAUHSSLNJ-QGZVFWFLSA-N 0 3 343.471 2.430 40 0 EEABHN Cc1cc(CNC[C@H]2CCS(=O)(=O)C2)ccc1Br ZINC000073852636 463663005 /nfs/dbraw/zinc/66/30/05/463663005.db2.gz DUTVOLSJCIFJGE-GFCCVEGCSA-N 0 3 332.263 2.282 40 0 EEABHN C[C@]12CCCCN(Cc3cccc(OCCO)c3)[C@H]1CCC(=O)N2 ZINC000257295250 463766205 /nfs/dbraw/zinc/76/62/05/463766205.db2.gz QXOXFZQSVKWGJX-HKUYNNGSSA-N 0 3 332.444 2.081 40 0 EEABHN O=C(c1cc(-c2cccnc2)[nH]n1)N1CCNC[C@@H]1c1ccccc1 ZINC000257298367 463766835 /nfs/dbraw/zinc/76/68/35/463766835.db2.gz RLJKZHOEKDPJAD-GOSISDBHSA-N 0 3 333.395 2.258 40 0 EEABHN CCN(C(C)=O)[C@@H]1CCOC2(CCN(Cc3ccccn3)CC2)C1 ZINC000257295692 463767432 /nfs/dbraw/zinc/76/74/32/463767432.db2.gz QZMIVPALEZZSIA-GOSISDBHSA-N 0 3 331.460 2.464 40 0 EEABHN CCOC(=O)c1cc(NC(=S)NCCN(C)C)ccc1Cl ZINC000225404277 464156893 /nfs/dbraw/zinc/15/68/93/464156893.db2.gz CATKVOPHCXIQND-UHFFFAOYSA-N 0 3 329.853 2.365 40 0 EEABHN CC(C(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl)S(C)(=O)=O ZINC000330780960 465801552 /nfs/dbraw/zinc/80/15/52/465801552.db2.gz FKJBTWACKOKINF-MNOVXSKESA-N 0 3 347.839 2.446 40 0 EEABHN CC[NH+](CC)C[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21 ZINC000585095132 468964365 /nfs/dbraw/zinc/96/43/65/468964365.db2.gz BLURHVFCOKEWFK-MRXNPFEDSA-N 0 3 328.416 2.128 40 0 EEABHN CN(C)C[C@@H]1CSCCCN1C(=O)c1cc(-c2ccco2)on1 ZINC000090699658 282128722 /nfs/dbraw/zinc/12/87/22/282128722.db2.gz ICFKDRNBRPAFKD-GFCCVEGCSA-N 0 3 335.429 2.444 40 0 EEABHN CC[C@H](N)C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000163994475 529441785 /nfs/dbraw/zinc/44/17/85/529441785.db2.gz XOBUDYHQDJUNIW-HNNXBMFYSA-N 0 3 343.393 2.477 40 0 EEABHN Cc1cc(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)no1 ZINC000174852401 231325075 /nfs/dbraw/zinc/32/50/75/231325075.db2.gz RUGLTOMLTSBTDF-SFHVURJKSA-N 0 3 343.427 2.158 40 0 EEABHN Cc1ccc(C)c([C@@H](O)CN2CCN([C@H]3CCCN(C)C3)CC2)c1 ZINC000072637020 216284955 /nfs/dbraw/zinc/28/49/55/216284955.db2.gz WDJGIFIVEKNYAT-ICSRJNTNSA-N 0 3 331.504 2.049 40 0 EEABHN Cc1cc(C)cc(CSCC(=O)NCCCN2CCN(C)CC2)c1 ZINC000022935076 212338510 /nfs/dbraw/zinc/33/85/10/212338510.db2.gz GYHVXEPJEZTOFM-UHFFFAOYSA-N 0 3 349.544 2.290 40 0 EEABHN Cc1cn(C)c([C@H]2CN(C(=O)c3ccc(CN(C)C)cc3)CCO2)n1 ZINC000257206299 244136822 /nfs/dbraw/zinc/13/68/22/244136822.db2.gz BCTDTVZWSYVRMW-QGZVFWFLSA-N 0 3 342.443 2.004 40 0 EEABHN CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCN1CCN(C)CC1 ZINC000020104397 212101483 /nfs/dbraw/zinc/10/14/83/212101483.db2.gz YMYKJPGHKXXYED-SFHVURJKSA-N 0 3 347.503 2.215 40 0 EEABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cccn1Cc1ccccc1F ZINC000019575971 212045419 /nfs/dbraw/zinc/04/54/19/212045419.db2.gz OYBPYFPAOSPGRN-KFKAGJAMSA-N 0 3 343.446 2.315 40 0 EEABHN CCN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@@H](N)C(C)C ZINC000079391445 217218463 /nfs/dbraw/zinc/21/84/63/217218463.db2.gz SAVFDTPDMXIZIC-HNNXBMFYSA-N 0 3 341.496 2.465 40 0 EEABHN C[C@@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1cncc(F)c1 ZINC000095422063 218364419 /nfs/dbraw/zinc/36/44/19/218364419.db2.gz KQZDSJQZLJOAGU-GFCCVEGCSA-N 0 3 338.404 2.354 40 0 EEABHN CC(C)[C@H](CO)N(Cc1ccccc1)C[C@H]1CCCS(=O)(=O)C1 ZINC000252497056 280261261 /nfs/dbraw/zinc/26/12/61/280261261.db2.gz PYATZTSVNIOCGX-MSOLQXFVSA-N 0 3 339.501 2.330 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CC[C@@H](N(C(=O)OC(C)(C)C)C(C)C)C1 ZINC000079410239 280273128 /nfs/dbraw/zinc/27/31/28/280273128.db2.gz ZPTSIIKYTZWYHO-KGLIPLIRSA-N 0 3 327.469 2.216 40 0 EEABHN CN(C)C(=O)[C@@H]1CC[C@@H](CN[C@@H]2CCCOc3cc(F)ccc32)O1 ZINC000182178885 323366776 /nfs/dbraw/zinc/36/67/76/323366776.db2.gz UQANNWWQGPBWRL-IMJJTQAJSA-N 0 3 336.407 2.265 40 0 EEABHN C[C@H](CN1CCN(C)CC1)NCc1sccc1Br ZINC000097378275 463356117 /nfs/dbraw/zinc/35/61/17/463356117.db2.gz KYCNDDQOYNAGGB-LLVKDONJSA-N 0 3 332.311 2.236 40 0 EEABHN CN(C)C[C@H]1CSCCCN1C(=O)c1ccc2nsnc2c1 ZINC000090700147 462808711 /nfs/dbraw/zinc/80/87/11/462808711.db2.gz LIPRBCWGQARRNQ-LBPRGKRZSA-N 0 3 336.486 2.201 40 0 EEABHN CCN1CCCN(c2ccc(C(=O)Nc3ccccc3)nn2)CC1 ZINC000077965676 463075787 /nfs/dbraw/zinc/07/57/87/463075787.db2.gz SBQZRWMRNWPNKZ-UHFFFAOYSA-N 0 3 325.416 2.261 40 0 EEABHN CCn1nnc2c1[C@@H](COCCN(C)C)CN(Cc1cccs1)C2 ZINC000096060852 463160927 /nfs/dbraw/zinc/16/09/27/463160927.db2.gz CJYKKCVKOMFZQN-CQSZACIVSA-N 0 3 349.504 2.037 40 0 EEABHN O=C(NC[C@]12COC[C@H]1CN(Cc1ccsc1)C2)c1ccco1 ZINC000096108445 463176514 /nfs/dbraw/zinc/17/65/14/463176514.db2.gz DRZVQSFAHAQLRB-PBHICJAKSA-N 0 3 332.425 2.220 40 0 EEABHN COc1cccc(CN2CC[C@H]3[C@@H](CC(=O)NC4CC4)OC[C@H]3C2)c1 ZINC000096206178 463208675 /nfs/dbraw/zinc/20/86/75/463208675.db2.gz GKGMXSKVTDMNTI-ATZDWAIDSA-N 0 3 344.455 2.201 40 0 EEABHN O=C([C@@H](CNCc1ccsc1)c1ccccc1)N1CCOCC1 ZINC000096404232 463238163 /nfs/dbraw/zinc/23/81/63/463238163.db2.gz PBNFUCNZGXOYFZ-KRWDZBQOSA-N 0 3 330.453 2.480 40 0 EEABHN Cc1ccc(NC(=O)NCCCn2cccn2)c(OCCN(C)C)c1 ZINC000096416039 463247820 /nfs/dbraw/zinc/24/78/20/463247820.db2.gz OTELZSBQEOOTSH-UHFFFAOYSA-N 0 3 345.447 2.344 40 0 EEABHN CN(C)CCn1ccc(NC(=O)N[C@@H]2CCc3ccccc3C2)n1 ZINC000096435354 463263938 /nfs/dbraw/zinc/26/39/38/463263938.db2.gz QDNODTULRZUSLJ-MRXNPFEDSA-N 0 3 327.432 2.124 40 0 EEABHN COC[C@@H](O)CN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000096483341 463282211 /nfs/dbraw/zinc/28/22/11/463282211.db2.gz BSKCMQJYGLKBAK-ZDUSSCGKSA-N 0 3 344.814 2.137 40 0 EEABHN CNS(=O)(=O)CCCN[C@@H](C)c1cccc(Br)c1 ZINC000096490946 463287032 /nfs/dbraw/zinc/28/70/32/463287032.db2.gz QUSJLFAAACUOOX-JTQLQIEISA-N 0 3 335.267 2.039 40 0 EEABHN CN(C)CCOc1cc(C(=O)Nc2cccc3[nH]cnc32)ccn1 ZINC000096500636 463289862 /nfs/dbraw/zinc/28/98/62/463289862.db2.gz WZWLHSPPRRFUDE-UHFFFAOYSA-N 0 3 325.372 2.151 40 0 EEABHN COc1ccc(-c2noc([C@@H]3CCCN3C3CCN(C)CC3)n2)cn1 ZINC000035425854 463431088 /nfs/dbraw/zinc/43/10/88/463431088.db2.gz BMRDXAQTWGPSRQ-HNNXBMFYSA-N 0 3 343.431 2.371 40 0 biogenic,in-vitro EEABHN Cc1cc(C)n(CC(=O)N2CC[C@H](c3cc(N(C)C)cc(C)n3)C2)n1 ZINC000257289986 463764400 /nfs/dbraw/zinc/76/44/00/463764400.db2.gz QAZZWKMRFDVHQT-INIZCTEOSA-N 0 3 341.459 2.285 40 0 EEABHN CC(=O)N1CC2(CCN(Cc3ccncc3C)CC2)C[C@H](O)C1(C)C ZINC000257331236 463781254 /nfs/dbraw/zinc/78/12/54/463781254.db2.gz XRXWQVBANWTLAM-SFHVURJKSA-N 0 3 345.487 2.364 40 0 EEABHN CC(=O)N[C@H]1CCN(Cc2[nH]c3ccc(F)cc3c2C)CC[C@@H]1O ZINC000257333583 463782711 /nfs/dbraw/zinc/78/27/11/463782711.db2.gz YCEJODFDZCWZRF-WMZOPIPTSA-N 0 3 333.407 2.077 40 0 EEABHN Cc1ccc(C)c(C(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)c1 ZINC000224309384 464151359 /nfs/dbraw/zinc/15/13/59/464151359.db2.gz NXXJXGMDWAFOLO-UHFFFAOYSA-N 0 3 339.443 2.122 40 0 EEABHN Cc1cc(-n2ccnc2)ccc1CN1CCN(CC(C)(C)O)CC1 ZINC000191988316 464841516 /nfs/dbraw/zinc/84/15/16/464841516.db2.gz NACNPPPXAOIZEJ-UHFFFAOYSA-N 0 3 328.460 2.069 40 0 EEABHN O=C(Cn1cccn1)Nc1cccc(CNC[C@@H]2CCC=CO2)c1 ZINC000252480113 464960416 /nfs/dbraw/zinc/96/04/16/464960416.db2.gz BVZHQWWFVLXQOV-KRWDZBQOSA-N 0 3 326.400 2.304 40 0 EEABHN C[C@@H]1C[C@@H](NCc2c(F)cccc2S(=O)(=O)N(C)C)C[C@H](C)O1 ZINC000253370184 464994734 /nfs/dbraw/zinc/99/47/34/464994734.db2.gz NKMGQNPSPIUYME-CLLJXQQHSA-N 0 3 344.452 2.122 40 0 EEABHN O=C(NCc1ccc(F)cc1)NCC1CCN([C@H]2CCOC2)CC1 ZINC000575605978 468146142 /nfs/dbraw/zinc/14/61/42/468146142.db2.gz IPOUEVLUQMGDGW-KRWDZBQOSA-N 0 3 335.423 2.126 40 0 EEABHN Cc1cccc(NC(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)n1 ZINC000585141836 468992139 /nfs/dbraw/zinc/99/21/39/468992139.db2.gz ZFHZCVXNYOLBEP-OAHLLOKOSA-N 0 3 332.448 2.497 40 0 EEABHN CNC(=O)c1cccc([C@@H]2CNCCN2Cc2cccc(OC)c2)c1 ZINC000585182273 468995884 /nfs/dbraw/zinc/99/58/84/468995884.db2.gz NAQPSFPTOKNUIF-IBGZPJMESA-N 0 3 339.439 2.201 40 0 EEABHN CN(C)Cc1cccc(-c2cccnc2C(=O)NCc2cn(C)cn2)c1 ZINC000257257788 536022549 /nfs/dbraw/zinc/02/25/49/536022549.db2.gz KRBOQXYTRWBESN-UHFFFAOYSA-N 0 3 349.438 2.474 40 0 EEABHN COCCN1CCC(Cc2nc(C)cc(-c3nc(C)c[nH]3)n2)CC1 ZINC000257254737 536858592 /nfs/dbraw/zinc/85/85/92/536858592.db2.gz KELOHRYPXHQCIP-UHFFFAOYSA-N 0 3 329.448 2.384 40 0 EEABHN Cc1noc(C)c1-c1nc(NCCN(C)C)ncc1-c1cnccn1 ZINC000072337513 216156976 /nfs/dbraw/zinc/15/69/76/216156976.db2.gz AQSZCILYLZOIAD-UHFFFAOYSA-N 0 3 339.403 2.179 40 0 EEABHN CNc1cc(C2CCN(C(=O)[C@]3(C)CCCCN3C)CC2)nc(C)n1 ZINC000072367366 216174876 /nfs/dbraw/zinc/17/48/76/216174876.db2.gz QITJTLHOJXXVPT-IBGZPJMESA-N 0 3 345.491 2.407 40 0 EEABHN Cc1ccc(N2CCCC2=O)c(C(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000073476737 216389216 /nfs/dbraw/zinc/38/92/16/216389216.db2.gz LTGAWPPBRQHKHS-INIZCTEOSA-N 0 3 341.455 2.336 40 0 EEABHN COCCN1CCC(c2cc(N3C(=O)OCC3(C)C)nc(C)n2)CC1 ZINC000257210764 244150737 /nfs/dbraw/zinc/15/07/37/244150737.db2.gz BWBGTMKDIRNXDT-UHFFFAOYSA-N 0 3 348.447 2.346 40 0 EEABHN O=C(c1cccs1)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 ZINC000257267825 244366939 /nfs/dbraw/zinc/36/69/39/244366939.db2.gz MIXJVKHTWBKRPN-LJQANCHMSA-N 0 3 342.464 2.383 40 0 EEABHN Cc1cc(C(=O)NCC2(N[C@H](C)c3ccccc3)CCOCC2)[nH]n1 ZINC000079096431 217191886 /nfs/dbraw/zinc/19/18/86/217191886.db2.gz HCYAZMPOFVUYAG-OAHLLOKOSA-N 0 3 342.443 2.348 40 0 EEABHN NCC(=O)N(C1CC1)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079393012 217218568 /nfs/dbraw/zinc/21/85/68/217218568.db2.gz XMPGGQZONZABJZ-SJORKVTESA-N 0 3 345.443 2.174 40 0 EEABHN CN1CCN(C(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC000028220975 277095054 /nfs/dbraw/zinc/09/50/54/277095054.db2.gz JIGARXCIJZWIME-INIZCTEOSA-N 0 3 335.879 2.326 40 0 EEABHN Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000097372489 323322482 /nfs/dbraw/zinc/32/24/82/323322482.db2.gz HGZMZJSFUGYPDG-WMLDXEAASA-N 0 3 348.491 2.233 40 0 EEABHN C[C@H](CNC(=O)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)N(C)C1CC1 ZINC000163142307 463566155 /nfs/dbraw/zinc/56/61/55/463566155.db2.gz IVXXMWAJYCNGAG-TZMCWYRMSA-N 0 3 346.479 2.054 40 0 EEABHN Cc1nccn1-c1ccc([C@@H](C)NC[C@@H]2CCCS2(=O)=O)cc1 ZINC000090467127 462793416 /nfs/dbraw/zinc/79/34/16/462793416.db2.gz VQDKHQMLRYECNV-DYVFJYSZSA-N 0 3 333.457 2.409 40 0 EEABHN COc1cc(CN2CC[C@H](c3nnc(C)o3)C2)cc(OC)c1OC ZINC000049169249 462958508 /nfs/dbraw/zinc/95/85/08/462958508.db2.gz OUDXDPRNQTXWFE-ZDUSSCGKSA-N 0 3 333.388 2.393 40 0 biogenic,in-vitro EEABHN C[C@H](NC(C)(C)CNC(=O)C(=O)Nc1cccnc1)c1ccccc1 ZINC000077838136 463059871 /nfs/dbraw/zinc/05/98/71/463059871.db2.gz XVHMWDSCHZAWIG-AWEZNQCLSA-N 0 3 340.427 2.266 40 0 EEABHN O=C(N[C@H]1CCC12CCN(Cc1ccncc1)CC2)c1cnccn1 ZINC000096051502 463154457 /nfs/dbraw/zinc/15/44/57/463154457.db2.gz LAONBUZTCKODHV-KRWDZBQOSA-N 0 3 337.427 2.046 40 0 EEABHN Cc1noc(C[C@@H]2COC[C@H]3CN(Cc4ccc(F)cc4)C[C@H]32)n1 ZINC000096057252 463158346 /nfs/dbraw/zinc/15/83/46/463158346.db2.gz CHBAZPPSVWVXKP-INMHGKMJSA-N 0 3 331.391 2.454 40 0 EEABHN O=C(NC[C@H]1OC[C@@H]2CCN(Cc3ccsc3)C[C@@H]21)c1ccno1 ZINC000096185491 463197660 /nfs/dbraw/zinc/19/76/60/463197660.db2.gz DLYURJYUDADBHH-OFQRWUPVSA-N 0 3 347.440 2.003 40 0 EEABHN c1csc(COC[C@@H]2CC[C@@H]3[C@@H]2OCCN3C[C@@H]2CCOC2)n1 ZINC000096250062 463226934 /nfs/dbraw/zinc/22/69/34/463226934.db2.gz FEKPTVAAXMGMDN-LJIGWXMPSA-N 0 3 338.473 2.176 40 0 EEABHN C[C@@H]1C[C@@H](N(C)CCCS(C)(=O)=O)CCN1Cc1ccccc1 ZINC000096414930 463247440 /nfs/dbraw/zinc/24/74/40/463247440.db2.gz PXQHWSCTTIMRRD-AEFFLSMTSA-N 0 3 338.517 2.406 40 0 EEABHN Cc1ccc(CN2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)s1 ZINC000107746742 463580898 /nfs/dbraw/zinc/58/08/98/463580898.db2.gz SEDDSAXIAKRRDD-CABCVRRESA-N 0 3 330.457 2.184 40 0 EEABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000073743006 463651626 /nfs/dbraw/zinc/65/16/26/463651626.db2.gz SOFLGTKCXJTWNR-NSHDSACASA-N 0 3 327.787 2.018 40 0 EEABHN COc1ccc(C(=O)N2CCO[C@@H](c3cc(N)cc(C)n3)C2)cc1F ZINC000257329248 463781611 /nfs/dbraw/zinc/78/16/11/463781611.db2.gz XJBXEQJDMGESSS-QGZVFWFLSA-N 0 3 345.374 2.334 40 0 EEABHN CC(C)Oc1ccc([C@H]2CN(C(=O)Cc3c[nH]cn3)CCN2C)cc1 ZINC000257339890 463786057 /nfs/dbraw/zinc/78/60/57/463786057.db2.gz ZDPGDWUOBNJZGZ-GOSISDBHSA-N 0 3 342.443 2.255 40 0 EEABHN CC[C@H](N)C(=O)N1CCN([C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000225490343 464165331 /nfs/dbraw/zinc/16/53/31/464165331.db2.gz ASFYGCVHHYDUDL-KBPBESRZSA-N 0 3 329.366 2.172 40 0 EEABHN O=C(NCC[C@H]1Cn2nccc2CN(C2CCC2)C1)c1cccnc1 ZINC000247461911 464681333 /nfs/dbraw/zinc/68/13/33/464681333.db2.gz BEOYFNKFGCMAPE-OAHLLOKOSA-N 0 3 339.443 2.083 40 0 EEABHN Cc1ccnc(O[C@@H]2Cn3cccc3CN(C3CCOCC3)C2)n1 ZINC000253477486 465016309 /nfs/dbraw/zinc/01/63/09/465016309.db2.gz GBNMXWDFMIVJSY-QGZVFWFLSA-N 0 3 328.416 2.029 40 0 EEABHN Cc1cc(C(=O)N2Cc3ncn(C)c3C[C@@H]2CN2CCCC2)c(C)o1 ZINC000585094990 468964501 /nfs/dbraw/zinc/96/45/01/468964501.db2.gz YNNLDQIDTAXFLL-OAHLLOKOSA-N 0 3 342.443 2.293 40 0 EEABHN CC(=O)N1CCC(N2CCC(O)(COc3ccc(C)cc3)CC2)CC1 ZINC000585269333 468997639 /nfs/dbraw/zinc/99/76/39/468997639.db2.gz PMGBVPRBIISGNK-UHFFFAOYSA-N 0 3 346.471 2.212 40 0 EEABHN CN1CCC(C)(C(=O)N2CC[C@H](O)[C@H](Cc3ccc(F)cc3)C2)CC1 ZINC000585277935 469003430 /nfs/dbraw/zinc/00/34/30/469003430.db2.gz XYZXNNJBISBYEX-AEFFLSMTSA-N 0 3 348.462 2.310 40 0 EEABHN Cc1nn(C)c(C)c1CN1C[C@H](c2ccc(Cl)cc2)[C@@H](O)[C@H]1CO ZINC000585292636 469011691 /nfs/dbraw/zinc/01/16/91/469011691.db2.gz LTVFRQADIHLDQP-KZNAEPCWSA-N 0 3 349.862 2.012 40 0 EEABHN CCOc1cncc(CN[C@H]2CCCN(c3ccc(C)nn3)C2)c1 ZINC000621334322 470032601 /nfs/dbraw/zinc/03/26/01/470032601.db2.gz AFSHSUQXMQEABP-INIZCTEOSA-N 0 3 327.432 2.337 40 0 EEABHN CNCC(=O)N1CC[C@@H](c2nc(C)cc(Oc3ccccc3C)n2)C1 ZINC000072363299 216170409 /nfs/dbraw/zinc/17/04/09/216170409.db2.gz HFBKMMJKLWRPBG-OAHLLOKOSA-N 0 3 340.427 2.421 40 0 EEABHN CN1CCc2nc(C3CCN(C(=O)[C@H]4CC45CCC5)CC3)ncc2C1 ZINC000019590658 212048858 /nfs/dbraw/zinc/04/88/58/212048858.db2.gz XAUYPLBPSOMAKW-MRXNPFEDSA-N 0 3 340.471 2.361 40 0 EEABHN Cc1cc(C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)cs1 ZINC000019571918 212044285 /nfs/dbraw/zinc/04/42/85/212044285.db2.gz GIKMOFIYCHHBEQ-HNNXBMFYSA-N 0 3 328.441 2.470 40 0 EEABHN O=C([C@H](CNCc1cccc(O)c1)c1ccccc1)N1CCOCC1 ZINC000078553773 217075546 /nfs/dbraw/zinc/07/55/46/217075546.db2.gz ZWZGQHJEEXHCDT-LJQANCHMSA-N 0 3 340.423 2.124 40 0 EEABHN COCCN1CC[C@H](CNC(=O)c2sc(C)cc2OC(F)F)C1 ZINC000079310146 217206968 /nfs/dbraw/zinc/20/69/68/217206968.db2.gz GOMPMUQTSSIXTA-LLVKDONJSA-N 0 3 348.415 2.356 40 0 EEABHN COc1cccc(/C=C/CCN2CCC(NS(C)(=O)=O)CC2)c1 ZINC000095408322 218344939 /nfs/dbraw/zinc/34/49/39/218344939.db2.gz YMHLZTAOKXNZJH-ZZXKWVIFSA-N 0 3 338.473 2.112 40 0 EEABHN COc1cc2c(c(OC)c1OC)CCN(Cc1cnn(C)c1)CC2 ZINC000253418774 274100998 /nfs/dbraw/zinc/10/09/98/274100998.db2.gz STGYECASNIMDLG-UHFFFAOYSA-N 0 3 331.416 2.047 40 0 EEABHN CC(C)N(C[C@@H]1CCCCN1C(=O)[C@H](C)N)C(=O)OC(C)(C)C ZINC000079409810 279446860 /nfs/dbraw/zinc/44/68/60/279446860.db2.gz AYPXUPJIKRBGAF-KBPBESRZSA-N 0 3 327.469 2.360 40 0 EEABHN Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCCN2C(=O)CN)n1 ZINC000257206744 302835646 /nfs/dbraw/zinc/83/56/46/302835646.db2.gz BETBPIKBFKJFFQ-CQSZACIVSA-N 0 3 329.404 2.069 40 0 EEABHN Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000097372487 323322461 /nfs/dbraw/zinc/32/24/61/323322461.db2.gz HGZMZJSFUGYPDG-YOEHRIQHSA-N 0 3 348.491 2.233 40 0 EEABHN CN1C(=O)CC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O ZINC000000002045 462540043 /nfs/dbraw/zinc/54/00/43/462540043.db2.gz YJPFLFAWBYRCEH-UHFFFAOYSA-N 0 3 346.402 2.260 40 0 in-man EEABHN C[C@@H]1CN(C)CCN1CC1CCN(C(=O)NCc2ccccc2)CC1 ZINC000085468317 462549462 /nfs/dbraw/zinc/54/94/62/462549462.db2.gz WMVJFNULSUHFPO-QGZVFWFLSA-N 0 3 344.503 2.244 40 0 EEABHN O=C(Nc1ccc(CCN2CCC(O)CC2)cc1)c1ccccn1 ZINC000075415942 462717117 /nfs/dbraw/zinc/71/71/17/462717117.db2.gz DSPCZHMBSCBBPQ-UHFFFAOYSA-N 0 3 325.412 2.333 40 0 EEABHN O=C(NCC1CC1)[C@@H]1CCC2(CCN(Cc3ccncc3)CC2)O1 ZINC000096061183 463160881 /nfs/dbraw/zinc/16/08/81/463160881.db2.gz DSVGFSPLNVNQBD-KRWDZBQOSA-N 0 3 329.444 2.121 40 0 EEABHN O=C(c1cnccn1)N1CCC[C@@]2(CCN(Cc3ccoc3)C2)C1 ZINC000096158183 463189587 /nfs/dbraw/zinc/18/95/87/463189587.db2.gz SMBXMKWUSARICU-SFHVURJKSA-N 0 3 326.400 2.198 40 0 EEABHN Cc1ccc(CN2C[C@@H]3COC[C@]3(CC(=O)N3CCCO3)C2)s1 ZINC000096209524 463214088 /nfs/dbraw/zinc/21/40/88/463214088.db2.gz VVHGBAWAVBXGSM-PBHICJAKSA-N 0 3 336.457 2.059 40 0 EEABHN O=C1CCC2(CCN(Cc3ccoc3)CC2)N1CCN1CCCC1 ZINC000096228135 463222238 /nfs/dbraw/zinc/22/22/38/463222238.db2.gz SOGOFFTXPYBWOX-UHFFFAOYSA-N 0 3 331.460 2.332 40 0 EEABHN COc1ccc(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)c(C)c1 ZINC000096434565 463262441 /nfs/dbraw/zinc/26/24/41/463262441.db2.gz OSOCMAGZSAINBK-CQSZACIVSA-N 0 3 334.464 2.009 40 0 EEABHN CO[C@@H](C)c1cccc(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000096434544 463262536 /nfs/dbraw/zinc/26/25/36/463262536.db2.gz YGROJFCMHTYHKI-CVEARBPZSA-N 0 3 348.491 2.399 40 0 EEABHN O[C@H](CNC1(c2ccc(F)cc2F)CCCC1)CN1CCOCC1 ZINC000096492229 463287683 /nfs/dbraw/zinc/28/76/83/463287683.db2.gz IUZQVAJBVGDBAZ-OAHLLOKOSA-N 0 3 340.414 2.017 40 0 EEABHN Cc1ccc2cccc(S(=O)(=O)N(C)C[C@@H]3CCN(C)C3)c2n1 ZINC000084937784 463638355 /nfs/dbraw/zinc/63/83/55/463638355.db2.gz WFFODSIMCZNGQW-CQSZACIVSA-N 0 3 333.457 2.115 40 0 EEABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1F ZINC000073743047 463651606 /nfs/dbraw/zinc/65/16/06/463651606.db2.gz WDQJETKACUNNFX-LLVKDONJSA-N 0 3 327.787 2.018 40 0 EEABHN Cn1ccc(C(=O)N2CCC[C@@H]2c2cccc(CN3CCCC3)n2)n1 ZINC000257228283 463756333 /nfs/dbraw/zinc/75/63/33/463756333.db2.gz FTHNTYWSVIRHOS-GOSISDBHSA-N 0 3 339.443 2.388 40 0 EEABHN CN1CCC[C@H](c2cccc(N3CC4(CCOCC4)OC3=O)n2)C1 ZINC000257293372 463765761 /nfs/dbraw/zinc/76/57/61/463765761.db2.gz QPFGYZXUNKGOBJ-AWEZNQCLSA-N 0 3 331.416 2.397 40 0 EEABHN Cc1cn[nH]c1[C@@H]1COCCN1C(=O)CCn1ccnc1C(C)C ZINC000257334667 463782994 /nfs/dbraw/zinc/78/29/94/463782994.db2.gz YGXKAAAMJKRTLM-AWEZNQCLSA-N 0 3 331.420 2.028 40 0 EEABHN Cc1ccccc1C(=O)NCC(=O)NCc1ccccc1CN(C)C ZINC000198310839 464087800 /nfs/dbraw/zinc/08/78/00/464087800.db2.gz YDQINDCKMRRIBT-UHFFFAOYSA-N 0 3 339.439 2.103 40 0 EEABHN C[C@H](CCOc1ccccc1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000245339230 464470959 /nfs/dbraw/zinc/47/09/59/464470959.db2.gz RIZOEPADMNXWFF-SOLBZPMBSA-N 0 3 332.444 2.071 40 0 EEABHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000245339077 464471131 /nfs/dbraw/zinc/47/11/31/464471131.db2.gz QHZRPLKXQAVOFB-GBESFXJTSA-N 0 3 343.471 2.124 40 0 EEABHN Cc1ccc(CN2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)s1 ZINC000248115801 464731405 /nfs/dbraw/zinc/73/14/05/464731405.db2.gz SEDDSAXIAKRRDD-GJZGRUSLSA-N 0 3 330.457 2.184 40 0 EEABHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000329637588 465394764 /nfs/dbraw/zinc/39/47/64/465394764.db2.gz AJTBVOMYMXVITA-ICUGJSFKSA-N 0 3 343.533 2.463 40 0 EEABHN CN(C)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NCc1ccc(F)cc1 ZINC000585262370 468995227 /nfs/dbraw/zinc/99/52/27/468995227.db2.gz BPHYLWOYPPZEJI-ZRNYENFQSA-N 0 3 344.430 2.426 40 0 EEABHN CN(C)C[C@H]1CN(C(=O)CC2Cc3ccccc3C2)Cc2ccnn21 ZINC000248094414 535967666 /nfs/dbraw/zinc/96/76/66/535967666.db2.gz GGKXNOMOPPSREW-IBGZPJMESA-N 0 3 338.455 2.133 40 0 EEABHN CN(CCC(=O)N1CCC[C@@H]1c1ccncn1)Cc1cccnc1 ZINC000257229427 536303714 /nfs/dbraw/zinc/30/37/14/536303714.db2.gz FYCJZQATKFOMFB-QGZVFWFLSA-N 0 3 325.416 2.057 40 0 EEABHN Brc1cccc(-c2nsc(N3CCNCC3)n2)c1 ZINC000216642558 241202856 /nfs/dbraw/zinc/20/28/56/241202856.db2.gz LHJDOERUZGUKBH-UHFFFAOYSA-N 0 3 325.235 2.377 40 0 EEABHN Cc1nc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)no1 ZINC000230122531 242233950 /nfs/dbraw/zinc/23/39/50/242233950.db2.gz UAXFYEIYRAVNJD-CJNGLKHVSA-N 0 3 343.431 2.088 40 0 EEABHN CCc1ccc(C[N@@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)o1 ZINC000019522925 212036664 /nfs/dbraw/zinc/03/66/64/212036664.db2.gz DJYCJVBBRWVPEL-UHFFFAOYSA-N 0 3 342.443 2.126 40 0 EEABHN CCc1ccc(C[N@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)o1 ZINC000019522925 212036666 /nfs/dbraw/zinc/03/66/66/212036666.db2.gz DJYCJVBBRWVPEL-UHFFFAOYSA-N 0 3 342.443 2.126 40 0 EEABHN O=c1cc([C@@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)nc(N2CCCC2)[n-]1 ZINC000019333736 212016769 /nfs/dbraw/zinc/01/67/69/212016769.db2.gz JSPZOCLXLZWWRB-OAHLLOKOSA-N 0 3 342.418 2.499 40 0 EEABHN O=c1cc([C@@H]2CC[N@H+](Cc3ccc(F)cc3)C2)nc(N2CCCC2)[n-]1 ZINC000019333736 212016773 /nfs/dbraw/zinc/01/67/73/212016773.db2.gz JSPZOCLXLZWWRB-OAHLLOKOSA-N 0 3 342.418 2.499 40 0 EEABHN [NH3+][C@H](C[N-]S(=O)(=O)c1cccc(F)c1F)c1ccc(F)cc1F ZINC000095432012 218374500 /nfs/dbraw/zinc/37/45/00/218374500.db2.gz OPGRUILGBMLZFI-GFCCVEGCSA-N 0 3 348.321 2.221 40 0 EEABHN CSc1cccc(NC(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000076329754 278176025 /nfs/dbraw/zinc/17/60/25/278176025.db2.gz TZHVUJLLRBPHMO-AWEZNQCLSA-N 0 3 336.505 2.414 40 0 EEABHN Cc1ccc2c(n1)N(CCN(C)C)CCN(C(=O)c1cccs1)C2 ZINC000096199018 281136921 /nfs/dbraw/zinc/13/69/21/281136921.db2.gz URDIIGFLVXVWPG-UHFFFAOYSA-N 0 3 344.484 2.476 40 0 EEABHN Cc1nc2c(c(=O)[nH]1)CCN(Cc1ccc3c(c1)C[C@H](C)O3)CC2 ZINC000019286441 282007379 /nfs/dbraw/zinc/00/73/79/282007379.db2.gz BUBHYRBUKHQOCE-LBPRGKRZSA-N 0 3 325.412 2.003 40 0 EEABHN C[C@H](NCC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1-n1cccn1 ZINC000096491705 323320171 /nfs/dbraw/zinc/32/01/71/323320171.db2.gz QOCRLNJZMDOPTN-OAGGEKHMSA-N 0 3 342.443 2.159 40 0 EEABHN Cc1cccc(OCCNC(=O)C(C)S(=O)(=O)C2CCCC2)c1 ZINC000076585299 462880650 /nfs/dbraw/zinc/88/06/50/462880650.db2.gz XOMHXXSMXARSKJ-CQSZACIVSA-N 0 3 339.457 2.236 40 0 EEABHN CC(C)[C@@H](CCN[C@H]1CS(=O)(=O)C[C@@H]1O)c1ccc(Cl)cc1 ZINC000013722059 462901741 /nfs/dbraw/zinc/90/17/41/462901741.db2.gz IVQRGOYRMMQZOP-PMPSAXMXSA-N 0 3 345.892 2.217 40 0 EEABHN CN1CCC[C@@H]1CNC(=O)COc1ccc(Br)cc1F ZINC000049096707 462955132 /nfs/dbraw/zinc/95/51/32/462955132.db2.gz AVJSHGJDZPPKAM-LLVKDONJSA-N 0 3 345.212 2.177 40 0 EEABHN COc1ccc(CN2CC[C@H](c3nnc(-c4cncn4C)o3)C2)cc1 ZINC000049170434 462958580 /nfs/dbraw/zinc/95/85/80/462958580.db2.gz RCDSHECXMXTMNJ-AWEZNQCLSA-N 0 3 339.399 2.468 40 0 biogenic,in-vitro EEABHN NS(=O)(=O)CCCN1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000078515682 463124938 /nfs/dbraw/zinc/12/49/38/463124938.db2.gz MHAKNMQTDOXOGJ-SFHVURJKSA-N 0 3 330.453 2.313 40 0 EEABHN O=C([C@@H]1CN(CCc2ccccc2)C[C@H]2OCC[C@H]21)N1CCCC1 ZINC000096038870 463143607 /nfs/dbraw/zinc/14/36/07/463143607.db2.gz CAETURDJLQBQLM-IPMKNSEASA-N 0 3 328.456 2.188 40 0 EEABHN Cc1ccsc1C(=O)N1CCO[C@H]2[C@H](OCCN(C)C)CC[C@@H]21 ZINC000096041495 463146250 /nfs/dbraw/zinc/14/62/50/463146250.db2.gz HFKAHLUBOJTVJV-RRFJBIMHSA-N 0 3 338.473 2.007 40 0 EEABHN O=C([C@@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@H]2O1)N1CCCC1 ZINC000096042930 463147958 /nfs/dbraw/zinc/14/79/58/463147958.db2.gz QPQUSAHSKCRAJN-GBESFXJTSA-N 0 3 328.456 2.331 40 0 EEABHN O=C1N(Cc2cccnc2)CC[C@@]12CCCN(Cc1ccncc1)C2 ZINC000096048633 463152324 /nfs/dbraw/zinc/15/23/24/463152324.db2.gz JXJDVMPTVIYIEO-HXUWFJFHSA-N 0 3 336.439 2.491 40 0 EEABHN CC[C@@H]1N(Cc2ccccn2)CCC[C@]12CCC(=O)N2CCOC ZINC000096052441 463155803 /nfs/dbraw/zinc/15/58/03/463155803.db2.gz BNINFEPMUFSBTR-HKUYNNGSSA-N 0 3 331.460 2.464 40 0 EEABHN Cc1cccc(CO[C@H]2C[C@@H]3CN(Cc4ccncc4)CCN3C2)n1 ZINC000096055103 463156011 /nfs/dbraw/zinc/15/60/11/463156011.db2.gz VOWBXNOHCFWEGQ-UXHICEINSA-N 0 3 338.455 2.260 40 0 EEABHN Cc1cccc(CO[C@H]2C[C@H]3CN(Cc4cccnc4)CCN3C2)n1 ZINC000096055101 463156354 /nfs/dbraw/zinc/15/63/54/463156354.db2.gz JHSKCFRKXVGIKY-PMACEKPBSA-N 0 3 338.455 2.260 40 0 EEABHN O=C(c1ccccn1)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096053893 463157068 /nfs/dbraw/zinc/15/70/68/463157068.db2.gz BTHQAXXPGVJDPI-HOTGVXAUSA-N 0 3 325.387 2.425 40 0 EEABHN O=C(c1cscn1)N1CC[C@@]2(CCN(Cc3cccnc3)C2)C1 ZINC000096071123 463166131 /nfs/dbraw/zinc/16/61/31/463166131.db2.gz AWEUKIADDQTBOS-QGZVFWFLSA-N 0 3 328.441 2.276 40 0 EEABHN Cn1cc(CN2CC[C@H](OCC3CC3)[C@@H]2Cc2ccncc2)cn1 ZINC000096069997 463166177 /nfs/dbraw/zinc/16/61/77/463166177.db2.gz SYKIIMXHDLLXDH-OALUTQOASA-N 0 3 326.444 2.427 40 0 EEABHN CC(C)N1CCOC[C@@]2(CCCN(C(=O)c3cccc(O)c3)C2)C1 ZINC000096076262 463169265 /nfs/dbraw/zinc/16/92/65/463169265.db2.gz UIFVXZKCGPPAOZ-IBGZPJMESA-N 0 3 332.444 2.355 40 0 EEABHN c1ccc(COC[C@]23COC[C@H]2CN(Cc2cccnc2)C3)nc1 ZINC000096108990 463176570 /nfs/dbraw/zinc/17/65/70/463176570.db2.gz RLQIYDVRQRICAW-MJGOQNOKSA-N 0 3 325.412 2.142 40 0 EEABHN O=C(NC[C@H]1OC[C@H]2CN(Cc3cccc(F)c3)CC[C@H]21)C1CC1 ZINC000096187329 463199464 /nfs/dbraw/zinc/19/94/64/463199464.db2.gz CUVGQZCLHUICLK-KBAYOESNSA-N 0 3 332.419 2.189 40 0 EEABHN COC[C@@H]1CC2(CN1Cc1cccnc1)CCN(C(=O)C1CC1)CC2 ZINC000096208452 463212074 /nfs/dbraw/zinc/21/20/74/463212074.db2.gz VIJONLNOCAJJFR-SFHVURJKSA-N 0 3 343.471 2.321 40 0 EEABHN Cc1ccc(OCC(=O)N2CC[C@@]3(C2)CCC[C@H](CN(C)C)O3)cc1 ZINC000096209557 463213573 /nfs/dbraw/zinc/21/35/73/463213573.db2.gz QRYNIMQFCFXSRQ-UYAOXDASSA-N 0 3 346.471 2.476 40 0 EEABHN Cn1cc(CN2CCC3(CO[C@H](COc4cccnc4)C3)CC2)cn1 ZINC000096218350 463214616 /nfs/dbraw/zinc/21/46/16/463214616.db2.gz XALRIECDXPWATD-SFHVURJKSA-N 0 3 342.443 2.265 40 0 EEABHN COc1ccc(CN2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)cc1 ZINC000096239301 463224936 /nfs/dbraw/zinc/22/49/36/463224936.db2.gz KFPHVMQQKKBGAR-IBGZPJMESA-N 0 3 340.427 2.058 40 0 EEABHN CCC1=N[C@@]2(CC[C@@H]3CN(Cc4c(C)noc4C)C[C@@H]32)C(=O)N1C ZINC000096261573 463231370 /nfs/dbraw/zinc/23/13/70/463231370.db2.gz MSNDRALKOTXTKL-QIIPPGSGSA-N 0 3 330.432 2.153 40 0 EEABHN Cc1cnn(CCC(=O)Nc2ccc(C)cc2OCCN(C)C)c1 ZINC000096414012 463247247 /nfs/dbraw/zinc/24/72/47/463247247.db2.gz UFZKQUMTWQYACU-UHFFFAOYSA-N 0 3 330.432 2.469 40 0 EEABHN CCOc1c(F)cccc1C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000096431078 463260012 /nfs/dbraw/zinc/26/00/12/463260012.db2.gz MFMHQOSCDSFUQY-OAHLLOKOSA-N 0 3 349.450 2.076 40 0 EEABHN C[C@@H](CNC(=O)Nc1ccc2c(c1)CCCO2)CN1CCN(C)CC1 ZINC000096434465 463262242 /nfs/dbraw/zinc/26/22/42/463262242.db2.gz PBVDPESQYIWQSU-HNNXBMFYSA-N 0 3 346.475 2.017 40 0 EEABHN CN1CCN(CCCCNC(=O)N[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000096439067 463266293 /nfs/dbraw/zinc/26/62/93/463266293.db2.gz OEZITJYKMJPKGU-ZWKOTPCHSA-N 0 3 336.524 2.282 40 0 EEABHN C[C@@H]1OCC[C@@H]1N[C@@H]1CCN(c2ccccc2OC(F)F)C1=O ZINC000096490296 463286744 /nfs/dbraw/zinc/28/67/44/463286744.db2.gz RADLNWQEIGAOFU-SDDRHHMPSA-N 0 3 326.343 2.160 40 0 EEABHN CCOC(=O)[C@]1(C(C)C)CCN(Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000194876527 463948477 /nfs/dbraw/zinc/94/84/77/463948477.db2.gz ZFZAFIOQOPRVIN-GOSISDBHSA-N 0 3 346.431 2.486 40 0 EEABHN COc1cc(C(=O)NCC(C)(C)N2CCCCC2)cc2c1OCCO2 ZINC000198360759 464088669 /nfs/dbraw/zinc/08/86/69/464088669.db2.gz DAAOEYBIMAVFSV-UHFFFAOYSA-N 0 3 348.443 2.461 40 0 EEABHN Cc1ccc(CN2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)o1 ZINC000248102888 464729310 /nfs/dbraw/zinc/72/93/10/464729310.db2.gz OFMSMMDLIZTAPY-HKUYNNGSSA-N 0 3 327.428 2.458 40 0 EEABHN Cc1cc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)nn1C ZINC000253371007 464994470 /nfs/dbraw/zinc/99/44/70/464994470.db2.gz ZJSZJWAELGMIJM-CZUORRHYSA-N 0 3 327.432 2.371 40 0 EEABHN Cc1nc(C)c(CN2CCC[C@@]3(CN(c4ncccn4)C3=O)C2)s1 ZINC000585099504 468967185 /nfs/dbraw/zinc/96/71/85/468967185.db2.gz OWAMPVKZNZUPLS-KRWDZBQOSA-N 0 3 343.456 2.179 40 0 EEABHN C[C@@]1(CO)C[C@H](O)CN1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000585142368 468991553 /nfs/dbraw/zinc/99/15/53/468991553.db2.gz UVCCMBNUJUQBBO-NHYWBVRUSA-N 0 3 347.242 2.140 40 0 EEABHN COCCN1CCC[C@@H](c2cncc(-c3c(C)nn(C)c3C)n2)C1 ZINC000585180231 468995489 /nfs/dbraw/zinc/99/54/89/468995489.db2.gz ZLBGGHLOPRUADH-OAHLLOKOSA-N 0 3 329.448 2.320 40 0 EEABHN CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2Cc1ccncc1C ZINC000585292103 469011468 /nfs/dbraw/zinc/01/14/68/469011468.db2.gz XJRAKMCYOHKBEQ-QFBILLFUSA-N 0 3 331.460 2.428 40 0 EEABHN COc1ccccc1CN1C[C@H](c2ccc(F)cc2)[C@@H](O)[C@H]1CO ZINC000585292145 469012133 /nfs/dbraw/zinc/01/21/33/469012133.db2.gz FHHHHJGAHPYNCC-ZHALLVOQSA-N 0 3 331.387 2.156 40 0 EEABHN CNC(=S)N(CCN(C)C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000004133512 210129937 /nfs/dbraw/zinc/12/99/37/210129937.db2.gz CKGYWHJOBPQPKJ-UHFFFAOYSA-N 0 3 346.500 2.013 40 0 EEABHN COC[C@H](O)CN1CCC(Oc2cccc(Br)c2)CC1 ZINC000183819806 235234961 /nfs/dbraw/zinc/23/49/61/235234961.db2.gz AROMEEZTJPXVMA-CYBMUJFWSA-N 0 3 344.249 2.300 40 0 EEABHN O[C@@H]1CN(Cc2ccc(F)c(F)c2)CC[C@H]1NCc1cccnc1 ZINC000036739943 213114785 /nfs/dbraw/zinc/11/47/85/213114785.db2.gz FRCDSYHBCAAZQS-QZTJIDSGSA-N 0 3 333.382 2.085 40 0 EEABHN COc1ccc2c(cc(C)c3nn(CCN4CCCC4)c(=O)n32)c1 ZINC000072346986 216161293 /nfs/dbraw/zinc/16/12/93/216161293.db2.gz ZHAGGXVFDLPIBR-UHFFFAOYSA-N 0 3 326.400 2.062 40 0 EEABHN COc1cc(C)ccc1CN1CCn2c(nnc2[C@@H]2CCCN2)C1 ZINC000072373962 216178282 /nfs/dbraw/zinc/17/82/82/216178282.db2.gz SFXWJBRXXVDNQG-HNNXBMFYSA-N 0 3 327.432 2.035 40 0 EEABHN COC(=O)[C@H]1C[C@H](c2ccccc2)CN(Cc2ccnc(N)c2)C1 ZINC000193443174 240165296 /nfs/dbraw/zinc/16/52/96/240165296.db2.gz OOMJFOXJNODLGH-IRXDYDNUSA-N 0 3 325.412 2.443 40 0 EEABHN CCOC[C@@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)CC ZINC000218487968 241326772 /nfs/dbraw/zinc/32/67/72/241326772.db2.gz NSQPMHFRCVFZSJ-KKUMJFAQSA-N 0 3 331.865 2.222 40 0 EEABHN Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCCN2CCC(N)=O)n1 ZINC000257244911 244252905 /nfs/dbraw/zinc/25/29/05/244252905.db2.gz INICYXVMIMICHB-OAHLLOKOSA-N 0 3 343.431 2.459 40 0 EEABHN O=C(c1cccc(F)c1)N1CCC(c2ncc3c(n2)CCNC3)CC1 ZINC000019293523 212013277 /nfs/dbraw/zinc/01/32/77/212013277.db2.gz WONXMUFPLPUYRC-UHFFFAOYSA-N 0 3 340.402 2.281 40 0 EEABHN CN1CCC[C@H](CNc2ccc3nnnn3n2)[C@@H]1c1cccs1 ZINC000078338453 217041529 /nfs/dbraw/zinc/04/15/29/217041529.db2.gz KLHAACFODGTKJI-IAQYHMDHSA-N 0 3 329.433 2.076 40 0 EEABHN CC(C)n1cc([C@H](C)NC[C@]2(N3CCOCC3)CCSC2)cn1 ZINC000095420908 218361563 /nfs/dbraw/zinc/36/15/63/218361563.db2.gz CRKLJBJPKDTDQI-DOTOQJQBSA-N 0 3 338.521 2.323 40 0 EEABHN COc1cccc(CN2CCc3nc(C(=O)N(C)C)sc3CC2)c1 ZINC000096147029 278011181 /nfs/dbraw/zinc/01/11/81/278011181.db2.gz LVXPITPVIOOPQL-UHFFFAOYSA-N 0 3 345.468 2.454 40 0 EEABHN Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)C2(CN)CN)cc1 ZINC000218362450 281006939 /nfs/dbraw/zinc/00/69/39/281006939.db2.gz WDKGXTJYRVGMQN-ZWKOTPCHSA-N 0 3 344.480 2.147 40 0 EEABHN CN(C)CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=CCCC1)C2 ZINC000096039578 289170861 /nfs/dbraw/zinc/17/08/61/289170861.db2.gz KDXZELRJWQGADC-MJGOQNOKSA-N 0 3 336.476 2.073 40 0 EEABHN C[C@H](NCCn1c2ccccc2[nH]c1=O)c1ccc([S@@](C)=O)cc1 ZINC000090220616 462785843 /nfs/dbraw/zinc/78/58/43/462785843.db2.gz GBCTXJSJIXJAID-RZFZLAGVSA-N 0 3 343.452 2.418 40 0 EEABHN Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNC[C@H]3CCCO3)cc12 ZINC000008586315 462789219 /nfs/dbraw/zinc/78/92/19/462789219.db2.gz ARMAKTDXVGGRQV-MRXNPFEDSA-N 0 3 338.411 2.291 40 0 EEABHN CN1CCC[C@H]1CNC(=O)COc1ccc(Br)cc1F ZINC000049096710 462954503 /nfs/dbraw/zinc/95/45/03/462954503.db2.gz AVJSHGJDZPPKAM-NSHDSACASA-N 0 3 345.212 2.177 40 0 EEABHN Cc1ccc(C(=O)N2CCc3c(COCCN(C)C)cncc3C2)o1 ZINC000096100083 463173094 /nfs/dbraw/zinc/17/30/94/463173094.db2.gz KESAFMRCQJQJSG-UHFFFAOYSA-N 0 3 343.427 2.260 40 0 EEABHN O=C(NC[C@]12COC[C@H]1CN(Cc1ccsc1)C2)N1CCCC1 ZINC000096108304 463176981 /nfs/dbraw/zinc/17/69/81/463176981.db2.gz PGNOHVZYTAZWQK-WBVHZDCISA-N 0 3 335.473 2.002 40 0 EEABHN c1ccc(COC[C@]23COC[C@H]2CN(Cc2ccccn2)C3)nc1 ZINC000096108989 463177673 /nfs/dbraw/zinc/17/76/73/463177673.db2.gz XKXDQIRGXRBLSW-APWZRJJASA-N 0 3 325.412 2.142 40 0 EEABHN O=C(CC1CC1)NCc1cnc2n1CCN(Cc1ccccc1)CC2 ZINC000096197043 463203528 /nfs/dbraw/zinc/20/35/28/463203528.db2.gz RXYJEKMEVBOENZ-UHFFFAOYSA-N 0 3 338.455 2.358 40 0 EEABHN COc1ccccc1CN1C[C@@H]2COC[C@]2(CC(=O)NCC2CC2)C1 ZINC000096205880 463208753 /nfs/dbraw/zinc/20/87/53/463208753.db2.gz NPQGQZNILCTMNR-XLIONFOSSA-N 0 3 344.455 2.060 40 0 EEABHN Cc1ccc(CN2CC[C@]3(C2)C(=O)NC[C@@H]3COc2ccccn2)o1 ZINC000096218541 463215847 /nfs/dbraw/zinc/21/58/47/463215847.db2.gz SOROPDUHSLPJMW-DNVCBOLYSA-N 0 3 341.411 2.000 40 0 EEABHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC=C(c2cccs2)CC1 ZINC000096410472 463243532 /nfs/dbraw/zinc/24/35/32/463243532.db2.gz LDCPQUVCQGRLHS-HZPDHXFCSA-N 0 3 347.484 2.410 40 0 EEABHN COc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)cc1F ZINC000032588891 463381296 /nfs/dbraw/zinc/38/12/96/463381296.db2.gz YKKAKYVYAXMPNS-UHFFFAOYSA-N 0 3 344.452 2.235 40 0 EEABHN Cn1cncc1CN1CCC2(CC(NC(=O)c3cscn3)C2)CC1 ZINC000108525235 463609929 /nfs/dbraw/zinc/60/99/29/463609929.db2.gz SSOTUGZUCRCBEM-UHFFFAOYSA-N 0 3 345.472 2.051 40 0 EEABHN c1cnc(N[C@H]2CCOC3(CCN(Cc4cccnc4)CC3)C2)nc1 ZINC000108534537 463611150 /nfs/dbraw/zinc/61/11/50/463611150.db2.gz MTQIFMJZZHAJTL-KRWDZBQOSA-N 0 3 339.443 2.497 40 0 EEABHN O=C(CCN1CCSC1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000044874888 463697710 /nfs/dbraw/zinc/69/77/10/463697710.db2.gz RJYYZRMWZSEZDN-UHFFFAOYSA-N 0 3 347.484 2.326 40 0 EEABHN CN(C)Cc1cnc(CC2CCN(Cc3cncs3)CC2)cn1 ZINC000257282513 463759811 /nfs/dbraw/zinc/75/98/11/463759811.db2.gz OTZZPAXJFJAXHL-UHFFFAOYSA-N 0 3 331.489 2.449 40 0 EEABHN CC[C@H](CNC(=O)NC[C@@H]1CC[C@@H](O)C1)N1CCc2ccccc2C1 ZINC000195578233 464080122 /nfs/dbraw/zinc/08/01/22/464080122.db2.gz VLVRQJQHJIPWCC-ATZDWAIDSA-N 0 3 345.487 2.284 40 0 EEABHN CCC[C@H](N)C(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000225521197 464167508 /nfs/dbraw/zinc/16/75/08/464167508.db2.gz PUDVAHUYDNUDLR-ZDUSSCGKSA-N 0 3 344.381 2.267 40 0 EEABHN C[C@H](Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1)[C@H]1CCOC1 ZINC000252483608 464962362 /nfs/dbraw/zinc/96/23/62/464962362.db2.gz FFWIURXSHCLECR-UAGQMJEPSA-N 0 3 331.460 2.221 40 0 EEABHN CC(C)c1cc(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)c([O-])c(C(C)C)c1 ZINC000331774763 466240756 /nfs/dbraw/zinc/24/07/56/466240756.db2.gz BRXNQSVKVKQZDH-DLBZAZTESA-N 0 3 332.444 2.452 40 0 EEABHN Cc1cccnc1CN1C[C@H](c2ccc(Cl)cc2)[C@@H](O)[C@H]1CO ZINC000585292363 469012326 /nfs/dbraw/zinc/01/23/26/469012326.db2.gz IDFGYDDIUVJHDC-KBAYOESNSA-N 0 3 332.831 2.365 40 0 EEABHN Cn1cc(CN2CCC[C@H](Cc3ccc(N4CCCC4)nn3)C2)cn1 ZINC000072387329 216187302 /nfs/dbraw/zinc/18/73/02/216187302.db2.gz INOCGEYLPMMAPO-MRXNPFEDSA-N 0 3 340.475 2.265 40 0 EEABHN Cc1nnc(-c2cccc(C(=O)N[C@H]3CCN(CC4CC4)C3)c2)o1 ZINC000073476757 216389150 /nfs/dbraw/zinc/38/91/50/216389150.db2.gz PJLWFTJNJZFBLI-INIZCTEOSA-N 0 3 326.400 2.259 40 0 EEABHN O[C@@H](CN1CCC(CNc2ncc(F)cn2)CC1)c1ccccc1 ZINC000242196992 243012682 /nfs/dbraw/zinc/01/26/82/243012682.db2.gz XGSRZYMRLMGELF-KRWDZBQOSA-N 0 3 330.407 2.473 40 0 EEABHN O=C(c1ccsc1)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 ZINC000257202190 244121865 /nfs/dbraw/zinc/12/18/65/244121865.db2.gz AKUYCKBOLVGWMO-IBGZPJMESA-N 0 3 342.464 2.383 40 0 EEABHN CN1CC[C@@H](c2ncc3c(n2)CCN(C(=O)C2CCCCC2)C3)C1 ZINC000019587927 212049576 /nfs/dbraw/zinc/04/95/76/212049576.db2.gz BXAXOQYSGUFSTG-OAHLLOKOSA-N 0 3 328.460 2.361 40 0 EEABHN CCOc1ccc(CN2CCc3nc(C)[nH]c(=O)c3CC2)cc1OC ZINC000019533906 212039501 /nfs/dbraw/zinc/03/95/01/212039501.db2.gz YEWSNLVFAPULNK-UHFFFAOYSA-N 0 3 343.427 2.086 40 0 EEABHN C[C@@H](c1ccccc1)N1CCC(NC(=O)c2ccc(=O)[nH]n2)CC1 ZINC000019459451 212029364 /nfs/dbraw/zinc/02/93/64/212029364.db2.gz BMHZHQATQJEHSC-ZDUSSCGKSA-N 0 3 326.400 2.138 40 0 EEABHN CC(C)N(C[C@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)CN ZINC000079392963 217219405 /nfs/dbraw/zinc/21/94/05/217219405.db2.gz LXJKWBVUEXJFOV-QGZVFWFLSA-N 0 3 347.459 2.373 40 0 EEABHN CC(C)N(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@H](C)N ZINC000079391306 217219048 /nfs/dbraw/zinc/21/90/48/217219048.db2.gz WHALPMFIBHTIBC-ZDUSSCGKSA-N 0 3 327.469 2.218 40 0 EEABHN Brc1cncc(CN[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000236588025 532978311 /nfs/dbraw/zinc/97/83/11/532978311.db2.gz XDPFYEGTOMISOB-CQSZACIVSA-N 0 3 348.248 2.393 40 0 EEABHN CCN(CC)CCNC(=O)Nc1c[nH]c2ccc(OC)cc2c1=O ZINC000004907662 210319944 /nfs/dbraw/zinc/31/99/44/210319944.db2.gz ZQAITUIASKXJBH-UHFFFAOYSA-N 0 3 332.404 2.000 40 0 EEABHN Cc1ccc(S(=O)(=O)NCCN[C@H](C)Cc2ccc(O)cc2)cc1 ZINC000294350556 293431377 /nfs/dbraw/zinc/43/13/77/293431377.db2.gz SONLSDJGYGIJSR-OAHLLOKOSA-N 0 3 348.468 2.200 40 0 EEABHN O=C(COC1CCCC1)N1Cc2ccnn2[C@H](CN2CCCCC2)C1 ZINC000247740283 295524963 /nfs/dbraw/zinc/52/49/63/295524963.db2.gz NPHAOHYAOORAOF-QGZVFWFLSA-N 0 3 346.475 2.212 40 0 EEABHN C[C@@H](NC[C@@H](O)COc1ccccc1)[C@@H]1COc2ccccc2O1 ZINC000005729977 462669056 /nfs/dbraw/zinc/66/90/56/462669056.db2.gz CZLWUFZQTCVKEE-CLCXKQKWSA-N 0 3 329.396 2.244 40 0 EEABHN O=C(Nc1ccc(CCN2CCC(O)CC2)cc1)c1cscn1 ZINC000075416097 462717324 /nfs/dbraw/zinc/71/73/24/462717324.db2.gz BOOXSYNIAKQNDV-UHFFFAOYSA-N 0 3 331.441 2.395 40 0 EEABHN Cc1cccc(CO[C@@H]2C[C@H]3CN(Cc4ccccn4)CCN3C2)n1 ZINC000096055096 463155976 /nfs/dbraw/zinc/15/59/76/463155976.db2.gz QXMPXPYBLMDLPY-VQTJNVASSA-N 0 3 338.455 2.260 40 0 EEABHN c1cncc(CN2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC000096055182 463156254 /nfs/dbraw/zinc/15/62/54/463156254.db2.gz QUARXOULZNTSAN-WOJBJXKFSA-N 0 3 338.455 2.200 40 0 EEABHN Cn1cc(CN2CCC3(CC2)C(=O)N(C)C[C@H]3c2ccccc2)cn1 ZINC000096100282 463173406 /nfs/dbraw/zinc/17/34/06/463173406.db2.gz OGXDSHYKXPGOMV-SFHVURJKSA-N 0 3 338.455 2.258 40 0 EEABHN c1ccc(CN2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)nc1 ZINC000096108950 463177126 /nfs/dbraw/zinc/17/71/26/463177126.db2.gz MSSFYNYAYWICCD-IEBWSBKVSA-N 0 3 325.412 2.142 40 0 EEABHN Cc1cccc(CN2C[C@@H]3COC[C@]3(CNC(=O)C3CCC3)C2)c1 ZINC000096108429 463177213 /nfs/dbraw/zinc/17/72/13/463177213.db2.gz UJXMCEFYARVIHW-QUCCMNQESA-N 0 3 328.456 2.360 40 0 EEABHN Cc1ccc(CN2CCC3(CC2)CN(c2ncccn2)CCO3)o1 ZINC000096159019 463190185 /nfs/dbraw/zinc/19/01/85/463190185.db2.gz ZCUIZMOECVDIEG-UHFFFAOYSA-N 0 3 328.416 2.249 40 0 EEABHN CC(C)N(C[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)[C@H](C)N ZINC000079393150 463211077 /nfs/dbraw/zinc/21/10/77/463211077.db2.gz ZWBWSRHMIAURRR-RDJZCZTQSA-N 0 3 347.459 2.372 40 0 EEABHN O=C(Cc1ccsc1)N1CCC2(CC1)COCCN2CC1CC1 ZINC000096226179 463220949 /nfs/dbraw/zinc/22/09/49/463220949.db2.gz IYNPRDOUKBYZHZ-UHFFFAOYSA-N 0 3 334.485 2.394 40 0 EEABHN COCCOC1CCN(C(=O)[C@H](C(C)C)N2CCCCC2)CC1 ZINC000096408535 463241903 /nfs/dbraw/zinc/24/19/03/463241903.db2.gz UIZDBEWNLCZIGW-KRWDZBQOSA-N 0 3 326.481 2.151 40 0 EEABHN Cc1ccc2cccc(NC(=O)C(=O)NC[C@H](C)N(C)C3CC3)c2n1 ZINC000096410759 463243696 /nfs/dbraw/zinc/24/36/96/463243696.db2.gz JIKKSQDYLNHNFX-ZDUSSCGKSA-N 0 3 340.427 2.081 40 0 EEABHN C[C@H]1C[C@H](N(C)CCCS(C)(=O)=O)CCN1Cc1ccccc1 ZINC000096414929 463247108 /nfs/dbraw/zinc/24/71/08/463247108.db2.gz PXQHWSCTTIMRRD-FUHWJXTLSA-N 0 3 338.517 2.406 40 0 EEABHN CN(C)c1ccc(C(=O)N2CCCN(C3CCOCC3)CC2)cc1 ZINC000096415649 463248240 /nfs/dbraw/zinc/24/82/40/463248240.db2.gz COTHSPWXCUEZEM-UHFFFAOYSA-N 0 3 331.460 2.080 40 0 EEABHN COc1cc(C)nc(NCc2ccccc2CN2CCC(O)CC2)n1 ZINC000096429800 463259422 /nfs/dbraw/zinc/25/94/22/463259422.db2.gz KYEDORPKABAFJM-UHFFFAOYSA-N 0 3 342.443 2.362 40 0 EEABHN COCCN1CCC[C@H](NC(=O)N[C@@H](c2nccs2)C2CC2)C1 ZINC000096440588 463267315 /nfs/dbraw/zinc/26/73/15/463267315.db2.gz GGMYLMVHWMORGR-UONOGXRCSA-N 0 3 338.477 2.004 40 0 EEABHN CC[C@@H](NC(=O)C(C)S(C)(=O)=O)c1nc(C(F)(F)F)cs1 ZINC000096443889 463269525 /nfs/dbraw/zinc/26/95/25/463269525.db2.gz DVBJXHJNHRVPEC-NKWVEPMBSA-N 0 3 344.380 2.162 40 0 EEABHN CCNC(=O)N1CC[C@H](N[C@@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000096490327 463286654 /nfs/dbraw/zinc/28/66/54/463286654.db2.gz IUJULEMPNGOJFJ-YJBOKZPZSA-N 0 3 341.459 2.386 40 0 EEABHN CCN1CCC(NC(=O)N(Cc2ccccc2)CC(C)(C)O)CC1 ZINC000096493219 463288218 /nfs/dbraw/zinc/28/82/18/463288218.db2.gz WJNQZQIERXZCQL-UHFFFAOYSA-N 0 3 333.476 2.453 40 0 EEABHN CC(C)c1noc(CCCNC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)n1 ZINC000096499735 463290053 /nfs/dbraw/zinc/29/00/53/463290053.db2.gz UTQPGIPFBKSZNG-GJZGRUSLSA-N 0 3 349.479 2.251 40 0 EEABHN COc1ccccc1N1CCC[C@H](NCc2ccnc(N(C)C)n2)C1 ZINC000096501548 463291368 /nfs/dbraw/zinc/29/13/68/463291368.db2.gz IQQMMIGKBDVSPG-INIZCTEOSA-N 0 3 341.459 2.310 40 0 EEABHN O=C(c1ccccc1)N1CCC[C@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216290 463484566 /nfs/dbraw/zinc/48/45/66/463484566.db2.gz YWQGXVVRBDBSPM-SFHVURJKSA-N 0 3 336.439 2.469 40 0 EEABHN CNCC(=O)N1CCC[C@H]1c1nc(C)cc(Nc2nc(C)cs2)n1 ZINC000072363278 463509859 /nfs/dbraw/zinc/50/98/59/463509859.db2.gz AERUSDZNOLAQPC-LBPRGKRZSA-N 0 3 346.460 2.176 40 0 EEABHN CC(C)OCCN1CCC(NC(=O)[C@@H]2COc3ccccc32)CC1 ZINC000081995643 463512175 /nfs/dbraw/zinc/51/21/75/463512175.db2.gz NZOCXEIBPNKCDN-QGZVFWFLSA-N 0 3 332.444 2.168 40 0 EEABHN CN1CCC(NC(=O)c2ccc(I)cc2)CC1 ZINC000042209792 463550617 /nfs/dbraw/zinc/55/06/17/463550617.db2.gz GZCZIFHUVBWVCL-UHFFFAOYSA-N 0 3 344.196 2.115 40 0 EEABHN O=C(NC1CC2(C1)CCN(Cc1cccnc1)CC2)c1ccnnc1 ZINC000108526311 463609653 /nfs/dbraw/zinc/60/96/53/463609653.db2.gz VOQDJWJJEYVDBM-UHFFFAOYSA-N 0 3 337.427 2.046 40 0 EEABHN O=C1CC2(CN1Cc1ccncc1)CCN(Cc1ccccn1)CC2 ZINC000108525163 463610035 /nfs/dbraw/zinc/61/00/35/463610035.db2.gz NQWWTTMNSHQMDF-UHFFFAOYSA-N 0 3 336.439 2.491 40 0 EEABHN Cc1ccc(CN2CCC3(CC(NS(=O)(=O)C4CC4)C3)C2)cc1 ZINC000108524951 463610545 /nfs/dbraw/zinc/61/05/45/463610545.db2.gz HYBUGQGOLLWXIX-UHFFFAOYSA-N 0 3 334.485 2.431 40 0 EEABHN Cc1nc(CN2CCC3(CC2)C[C@@H](Nc2ncccn2)CCO3)c[nH]1 ZINC000108535437 463611102 /nfs/dbraw/zinc/61/11/02/463611102.db2.gz TXZMXUZIRVXVRD-HNNXBMFYSA-N 0 3 342.447 2.134 40 0 EEABHN Cc1ncc(CN2CCC3(CC2)C[C@@H](Nc2ncccn2)CCO3)[nH]1 ZINC000108535437 463611108 /nfs/dbraw/zinc/61/11/08/463611108.db2.gz TXZMXUZIRVXVRD-HNNXBMFYSA-N 0 3 342.447 2.134 40 0 EEABHN CNc1cc(C)nc([C@H]2CCN(S(=O)(=O)c3cccnc3)C2)c1 ZINC000257332766 463781161 /nfs/dbraw/zinc/78/11/61/463781161.db2.gz XYODFDNJZKPYPI-ZDUSSCGKSA-N 0 3 332.429 2.005 40 0 EEABHN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2NCC(C)(C)O)cc1 ZINC000185413734 463816785 /nfs/dbraw/zinc/81/67/85/463816785.db2.gz HDBQGXXRXXTCSV-CVEARBPZSA-N 0 3 325.474 2.440 40 0 EEABHN COc1ccc(S(=O)(=O)NCCCN2CCCCC2)c(C)c1C ZINC000223754990 464147044 /nfs/dbraw/zinc/14/70/44/464147044.db2.gz LRPQAXBYDOXJOV-UHFFFAOYSA-N 0 3 340.489 2.466 40 0 EEABHN CCOC[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)CC ZINC000242575124 464457750 /nfs/dbraw/zinc/45/77/50/464457750.db2.gz NSQPMHFRCVFZSJ-RRFJBIMHSA-N 0 3 331.865 2.222 40 0 EEABHN CC(C(=O)N1CCc2ccccc2[C@]1(C)C(F)(F)F)S(C)(=O)=O ZINC000252499662 464970708 /nfs/dbraw/zinc/97/07/08/464970708.db2.gz SDSLEZAUDWMNPN-IINYFYTJSA-N 0 3 349.374 2.282 40 0 EEABHN CCCCN1CCC[C@]2(CC(C(=O)NCc3cscn3)=NO2)C1 ZINC000585101082 468968363 /nfs/dbraw/zinc/96/83/63/468968363.db2.gz BVLTWKSURLMFTK-INIZCTEOSA-N 0 3 336.461 2.170 40 0 EEABHN C[C@@H](CN1CCCCC1)NC(=O)c1cc(-c2csc(N)n2)c[nH]1 ZINC000585140787 468989833 /nfs/dbraw/zinc/98/98/33/468989833.db2.gz JPLICJQJSONHMN-NSHDSACASA-N 0 3 333.461 2.325 40 0 EEABHN CC(=O)N1CCN(C2CCCCC2)C[C@](O)(COc2ccccc2)C1 ZINC000585281548 469008627 /nfs/dbraw/zinc/00/86/27/469008627.db2.gz LCYSPJSEARODJK-FQEVSTJZSA-N 0 3 346.471 2.293 40 0 EEABHN Cc1cccc(CC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)c1 ZINC000019234796 524339703 /nfs/dbraw/zinc/33/97/03/524339703.db2.gz ITWXNXGWWYJWLK-GOSISDBHSA-N 0 3 336.439 2.337 40 0 EEABHN CN(C)C[C@H](NC(=O)NCc1ccnn1C)c1ccc(Cl)cc1 ZINC000225787986 535952320 /nfs/dbraw/zinc/95/23/20/535952320.db2.gz LQSXLYFFRUORKS-HNNXBMFYSA-N 0 3 335.839 2.176 40 0 EEABHN CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCN1CCN(C)CC1 ZINC000038753203 213223529 /nfs/dbraw/zinc/22/35/29/213223529.db2.gz CSQRTHITOWWMRY-GOSISDBHSA-N 0 3 347.503 2.215 40 0 EEABHN CNCC(=O)N1CCC[C@@H]1c1cc(Nc2ncc(C)s2)nc(C)n1 ZINC000072360927 216167643 /nfs/dbraw/zinc/16/76/43/216167643.db2.gz XQRSLMWNBVXGPO-CYBMUJFWSA-N 0 3 346.460 2.176 40 0 EEABHN O=C(C1CCCCC1)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000072390863 216190557 /nfs/dbraw/zinc/19/05/57/216190557.db2.gz MULSGCIDPAMBAJ-HNNXBMFYSA-N 0 3 328.460 2.409 40 0 EEABHN CCN1CCN(C[C@H](O)CO[C@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000022461366 212297649 /nfs/dbraw/zinc/29/76/49/212297649.db2.gz KVOWRJFVDKLSCJ-HCXYKTFWSA-N 0 3 326.525 2.462 40 0 EEABHN CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)CN)cc1 ZINC000218602722 241331939 /nfs/dbraw/zinc/33/19/39/241331939.db2.gz OZIFQFHUBZQUSV-CEXWTWQISA-N 0 3 344.480 2.153 40 0 EEABHN Cc1cnc(N(C)[C@@H]2CC[C@@H]3CN(Cc4cnc(C)nc4)C[C@H]23)cn1 ZINC000257240642 244241586 /nfs/dbraw/zinc/24/15/86/244241586.db2.gz HUMMHMHXOTWYNP-FGTMMUONSA-N 0 3 338.459 2.230 40 0 EEABHN Cc1cc(C)nc(NCCC(=O)NCC(C)(C)N2CCCCC2)n1 ZINC000019715078 212057533 /nfs/dbraw/zinc/05/75/33/212057533.db2.gz GNHXLLLOZKMMBR-UHFFFAOYSA-N 0 3 333.480 2.276 40 0 EEABHN CN1C[C@H](C(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)CC1=O ZINC000019587385 212048917 /nfs/dbraw/zinc/04/89/17/212048917.db2.gz LZFADVSRVPEBMD-MSOLQXFVSA-N 0 3 343.471 2.198 40 0 EEABHN COc1nc2cc(C)ccc2cc1CN1C[C@H]2C[C@@H](O)CN2C[C@@H]1C ZINC000019234266 212006752 /nfs/dbraw/zinc/00/67/52/212006752.db2.gz DTSAHAQPCFZXEE-BMGDILEWSA-N 0 3 341.455 2.191 40 0 EEABHN CC(C)[C@H](N)C(=O)NC[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079393255 217219413 /nfs/dbraw/zinc/21/94/13/217219413.db2.gz GDUJSDAPIMNRJY-IRXDYDNUSA-N 0 3 347.459 2.135 40 0 EEABHN CCN(C(=O)CN)[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079392929 217219616 /nfs/dbraw/zinc/21/96/16/217219616.db2.gz GHVULIAFSRLWOR-HOTGVXAUSA-N 0 3 333.432 2.031 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CC[C@H](CN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC000079427487 217223393 /nfs/dbraw/zinc/22/33/93/217223393.db2.gz DGOPAOSTOKMUHS-ZFWWWQNUSA-N 0 3 339.480 2.218 40 0 EEABHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCc1ccccn1 ZINC000154474321 224258983 /nfs/dbraw/zinc/25/89/83/224258983.db2.gz PYOAAGCICJEATM-APWZRJJASA-N 0 3 338.455 2.444 40 0 EEABHN N=C1Nc2nc(=O)c3ccccc3n2[C@H](c2ccccc2Cl)N1 ZINC000022241387 274943036 /nfs/dbraw/zinc/94/30/36/274943036.db2.gz GVDJPWZJUHAMGN-CYBMUJFWSA-N 0 3 325.759 2.337 40 0 EEABHN CN1CCO[C@@H]2CN(C(=O)c3ccc4ncccc4c3)CC[C@@H]2C1 ZINC000096249561 277123436 /nfs/dbraw/zinc/12/34/36/277123436.db2.gz ZVBVTOABVBHFTQ-SJLPKXTDSA-N 0 3 325.412 2.028 40 0 EEABHN Cc1ccc2c(c1)CN(C(=O)c1cnc(C)cn1)[C@H](CN(C)C)CO2 ZINC000012406568 278877174 /nfs/dbraw/zinc/87/71/74/278877174.db2.gz SURCLRPYCKEXLR-MRXNPFEDSA-N 0 3 340.427 2.058 40 0 EEABHN CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1NC(=O)[C@H](C)N ZINC000079409836 279299695 /nfs/dbraw/zinc/29/96/95/279299695.db2.gz SQQMVVUDDZYMOM-MJBXVCDLSA-N 0 3 327.469 2.407 40 0 EEABHN Cc1ccsc1C(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257335858 281503033 /nfs/dbraw/zinc/50/30/33/281503033.db2.gz YMFHHLASZVUFAZ-HNNXBMFYSA-N 0 3 344.427 2.365 40 0 EEABHN NCC(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1cccc(Cl)c1 ZINC000257329059 303365389 /nfs/dbraw/zinc/36/53/89/303365389.db2.gz XIFAGKIEMPFSKD-AWEZNQCLSA-N 0 3 345.834 2.392 40 0 EEABHN CN1CCC(NC(=O)C2CCN(Cc3ccccc3F)CC2)CC1 ZINC000113952746 462618652 /nfs/dbraw/zinc/61/86/52/462618652.db2.gz ZUVYSTISDVTSNW-UHFFFAOYSA-N 0 3 333.451 2.248 40 0 EEABHN O=C([C@@H]1CO[C@@H]2CCN(Cc3cccs3)C[C@@H]2C1)N1CCCO1 ZINC000096058171 463159747 /nfs/dbraw/zinc/15/97/47/463159747.db2.gz KWARIBHILROMMY-OFQRWUPVSA-N 0 3 336.457 2.139 40 0 EEABHN Cc1ccc(CN2CC[C@@H]3O[C@H](COCC(=O)N(C)C)CC[C@@H]32)cc1 ZINC000096064608 463163412 /nfs/dbraw/zinc/16/34/12/463163412.db2.gz OIJPZFZSSWREOE-FHWLQOOXSA-N 0 3 346.471 2.222 40 0 EEABHN O=C(NC[C@]12COC[C@H]1CN(Cc1ccccc1)C2)c1ccco1 ZINC000096108449 463176723 /nfs/dbraw/zinc/17/67/23/463176723.db2.gz RHIFDVVJGRVCCG-APWZRJJASA-N 0 3 326.396 2.158 40 0 EEABHN O=C(NCCNc1cc(N2CCCC2)cnn1)c1ccccc1F ZINC000096120934 463182477 /nfs/dbraw/zinc/18/24/77/463182477.db2.gz RRNVCBYFIFPKII-UHFFFAOYSA-N 0 3 329.379 2.058 40 0 EEABHN O=C(Cc1cccc(F)c1)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096161495 463191970 /nfs/dbraw/zinc/19/19/70/463191970.db2.gz XNQHQUAPERWBMA-HDICACEKSA-N 0 3 339.414 2.354 40 0 EEABHN CC(C)N1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096182715 463194401 /nfs/dbraw/zinc/19/44/01/463194401.db2.gz LNXRTXVVPJZLJL-NXHRZFHOSA-N 0 3 331.460 2.089 40 0 EEABHN Cn1ccnc1CN1CCN2C[C@H](OCc3ccccc3F)C[C@H]2C1 ZINC000096183562 463195289 /nfs/dbraw/zinc/19/52/89/463195289.db2.gz GSNTYBIFJSYEPM-DLBZAZTESA-N 0 3 344.434 2.035 40 0 EEABHN Cn1cc([C@@H]2CC(=O)NC23CCN(Cc2ccsc2)CC3)cn1 ZINC000096199759 463205442 /nfs/dbraw/zinc/20/54/42/463205442.db2.gz BPYXZNFMKTYNLM-HNNXBMFYSA-N 0 3 330.457 2.120 40 0 EEABHN CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@@H](N)Cc1ccccc1 ZINC000096402472 463238667 /nfs/dbraw/zinc/23/86/67/463238667.db2.gz KQYZEFDQQLSXLL-IBGZPJMESA-N 0 3 334.423 2.401 40 0 EEABHN COCCCN1CCC(NC(=O)c2cccc(-n3cccn3)c2)CC1 ZINC000096408424 463241154 /nfs/dbraw/zinc/24/11/54/463241154.db2.gz XYNHDMAWTCIHQZ-UHFFFAOYSA-N 0 3 342.443 2.103 40 0 EEABHN O=S(=O)(CC1CCOCC1)N[C@H]1CCCN(C2CCCCC2)C1 ZINC000096427969 463258281 /nfs/dbraw/zinc/25/82/81/463258281.db2.gz XRILMIJFDMPJMJ-INIZCTEOSA-N 0 3 344.521 2.130 40 0 EEABHN CC(C(=O)NCCCc1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000096445215 463270168 /nfs/dbraw/zinc/27/01/68/463270168.db2.gz DKKDRDOHIRDOMO-SECBINFHSA-N 0 3 338.256 2.475 40 0 EEABHN C[C@H](Cn1cc(Br)cn1)NC[C@@](C)(O)c1ccco1 ZINC000096478484 463280945 /nfs/dbraw/zinc/28/09/45/463280945.db2.gz PKDHKITXUOAPAG-ZWNOBZJWSA-N 0 3 328.210 2.124 40 0 EEABHN Cc1ccc(CNCCCN2CCN(C)CC2)c(Br)c1 ZINC000096483920 463282575 /nfs/dbraw/zinc/28/25/75/463282575.db2.gz BJSIXCLTQPCAEO-UHFFFAOYSA-N 0 3 340.309 2.485 40 0 EEABHN O=C(c1ccccc1)N1CCC[C@H]1c1cccnc1N1CCNCC1 ZINC000072216350 463484276 /nfs/dbraw/zinc/48/42/76/463484276.db2.gz XIHCIPWRAUNSIR-SFHVURJKSA-N 0 3 336.439 2.469 40 0 EEABHN COc1ccc(CN2CC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)cc1 ZINC000107728880 463579790 /nfs/dbraw/zinc/57/97/90/463579790.db2.gz SZNLKCZUEFDLJA-APWZRJJASA-N 0 3 340.427 2.331 40 0 EEABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(F)(F)F ZINC000073743172 463651761 /nfs/dbraw/zinc/65/17/61/463651761.db2.gz DVSYYUFOAYGSII-NSHDSACASA-N 0 3 343.349 2.244 40 0 EEABHN COc1cccc(CC(=O)N2CCO[C@H](c3cc(N)cc(C)n3)C2)c1 ZINC000257316677 463775272 /nfs/dbraw/zinc/77/52/72/463775272.db2.gz VGNVBJSAIHXZNB-SFHVURJKSA-N 0 3 341.411 2.123 40 0 EEABHN C[C@H](O)[C@@H]1CCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000195571336 464078753 /nfs/dbraw/zinc/07/87/53/464078753.db2.gz IKJSCECHGJNROI-ILZDJORESA-N 0 3 345.487 2.453 40 0 EEABHN Cc1occc1C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188113613 464203640 /nfs/dbraw/zinc/20/36/40/464203640.db2.gz XTXCWAOWTQBQMP-IBGZPJMESA-N 0 3 328.412 2.297 40 0 EEABHN NC(=O)[C@H]1CCCN1C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000252490745 464966803 /nfs/dbraw/zinc/96/68/03/464966803.db2.gz LAAROIQBGRTVFU-MRXNPFEDSA-N 0 3 339.842 2.393 40 0 EEABHN O=C(CNC[C@@H]1CCCO1)NC[C@H]1C[C@]12CCCc1ccccc12 ZINC000252490970 464967168 /nfs/dbraw/zinc/96/71/68/464967168.db2.gz LGTMERFVSLNSSA-FUHIMQAGSA-N 0 3 328.456 2.165 40 0 EEABHN Cc1ncsc1CN1C[C@H]2OC[C@H](CNc3ccccn3)[C@H]2C1 ZINC000306134505 466491067 /nfs/dbraw/zinc/49/10/67/466491067.db2.gz NPJRKJLXSQLRMA-RRFJBIMHSA-N 0 3 330.457 2.405 40 0 EEABHN CCS(=O)(=O)NCC[C@H]1Cn2cccc2CN(CC2CCC2)C1 ZINC000585095316 468964658 /nfs/dbraw/zinc/96/46/58/468964658.db2.gz PGHIQQYMUDPVDG-MRXNPFEDSA-N 0 3 339.505 2.049 40 0 EEABHN C[C@H]1Cc2nnc(COc3ncccc3F)n2CCN1CC1CC1 ZINC000585097561 468966018 /nfs/dbraw/zinc/96/60/18/468966018.db2.gz LSRATFQRVTVLBS-LBPRGKRZSA-N 0 3 331.395 2.048 40 0 EEABHN CN1CCC(c2nccnc2CNC(=O)Cc2ccsc2)CC1 ZINC000257242322 536346372 /nfs/dbraw/zinc/34/63/72/536346372.db2.gz IBXFQQCUONRNKA-UHFFFAOYSA-N 0 3 330.457 2.206 40 0 EEABHN CN(C)CCn1ccc(NC(=O)N2CCC[C@@H]2c2cccn2C)n1 ZINC000173947025 282115358 /nfs/dbraw/zinc/11/53/58/282115358.db2.gz CBCBWJPHHYUMJB-OAHLLOKOSA-N 0 3 330.436 2.152 40 0 EEABHN Cc1ncccc1NC(=O)[C@@H]1COC[C@H]2CN(Cc3ccco3)C[C@H]21 ZINC000097953318 219063678 /nfs/dbraw/zinc/06/36/78/219063678.db2.gz JMIAOXNCOKEIOM-DJIMGWMZSA-N 0 3 341.411 2.316 40 0 EEABHN Cc1nn(C)c2ncc(C(=O)N[C@H](C)CN3CCC[C@@H](C)C3)cc12 ZINC000195529532 282287672 /nfs/dbraw/zinc/28/76/72/282287672.db2.gz VAIBNDWMNNXTFZ-CHWSQXEVSA-N 0 3 329.448 2.127 40 0 EEABHN CNCC(=O)N1CCC[C@H]1c1cc(Nc2ncc(C)s2)nc(C)n1 ZINC000072360926 216168043 /nfs/dbraw/zinc/16/80/43/216168043.db2.gz XQRSLMWNBVXGPO-ZDUSSCGKSA-N 0 3 346.460 2.176 40 0 EEABHN CO[C@@H]1CCCC[C@@H](N(C)C(=O)c2ccc(CN(C)C)cc2)[C@H]1O ZINC000257245350 244256358 /nfs/dbraw/zinc/25/63/58/244256358.db2.gz IPBZVXQBDQFNCI-KZNAEPCWSA-N 0 3 334.460 2.139 40 0 EEABHN Fc1ccnc(Nc2nccc([C@@H]3CCN(Cc4cnc[nH]4)C3)n2)c1 ZINC000257241531 244243906 /nfs/dbraw/zinc/24/39/06/244243906.db2.gz HYIQJUYOMCHPPJ-GFCCVEGCSA-N 0 3 339.378 2.467 40 0 EEABHN CN1CCc2nc(C3CCN(C(=O)C4CCCC4)CC3)ncc2C1 ZINC000019590659 212049023 /nfs/dbraw/zinc/04/90/23/212049023.db2.gz CGOOPGWMENVXKH-UHFFFAOYSA-N 0 3 328.460 2.361 40 0 EEABHN CC(C(=O)N(C)C)S(=O)(=O)[C@@H](C)c1cccc(Br)c1 ZINC000291923512 275354198 /nfs/dbraw/zinc/35/41/98/275354198.db2.gz NNNZBTPSHLBMEO-VHSXEESVSA-N 0 3 348.262 2.402 40 0 EEABHN COC[C@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218568631 277269231 /nfs/dbraw/zinc/26/92/31/277269231.db2.gz MJFGSCNYKZIVNU-FGTMMUONSA-N 0 3 349.427 2.357 40 0 EEABHN O=C1[C@H](N[C@@H]2CCO[C@H]2c2ccccc2)CCN1CC(F)(F)F ZINC000191958287 280326058 /nfs/dbraw/zinc/32/60/58/280326058.db2.gz UEPILEYCAJARDD-MCIONIFRSA-N 0 3 328.334 2.269 40 0 EEABHN C[C@H]1CN(C)CCN1CC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000085468115 462548821 /nfs/dbraw/zinc/54/88/21/462548821.db2.gz OMOVMTNIANGDQH-HNNXBMFYSA-N 0 3 333.451 2.314 40 0 EEABHN C[C@@H](NC1CC1)C(=O)Nc1ccccc1I ZINC000064875588 462726133 /nfs/dbraw/zinc/72/61/33/462726133.db2.gz QXALWRYGBVGNNV-MRVPVSSYSA-N 0 3 330.169 2.370 40 0 EEABHN Cc1ccc(C)c(NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)c1 ZINC000078611847 463133293 /nfs/dbraw/zinc/13/32/93/463133293.db2.gz LSURCRQPFFNXOU-HNNXBMFYSA-N 0 3 329.444 2.375 40 0 EEABHN Cc1ccc(N[C@@H]2CN(Cc3ccco3)C[C@@H]3CCCO[C@H]23)nn1 ZINC000096040700 463144992 /nfs/dbraw/zinc/14/49/92/463144992.db2.gz HATDEIIBVOXAMR-LESCRADOSA-N 0 3 328.416 2.470 40 0 EEABHN CN(Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1cnn(C)c1)CC2 ZINC000096048004 463151621 /nfs/dbraw/zinc/15/16/21/463151621.db2.gz PFCMQPDUKVQWFP-KRWDZBQOSA-N 0 3 344.459 2.269 40 0 EEABHN Cn1cc(CN2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)cn1 ZINC000096050715 463154450 /nfs/dbraw/zinc/15/44/50/463154450.db2.gz AFCKNFJUDDOVGZ-SFHVURJKSA-N 0 3 328.391 2.188 40 0 EEABHN Cc1cccc(CO[C@H]2C[C@@H]3CN(Cc4ccco4)CCN3C2)n1 ZINC000096055063 463156081 /nfs/dbraw/zinc/15/60/81/463156081.db2.gz SRBYCHLFLJTOKI-MJGOQNOKSA-N 0 3 327.428 2.458 40 0 EEABHN c1cncc(CN2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)c1 ZINC000096108951 463177548 /nfs/dbraw/zinc/17/75/48/463177548.db2.gz GRUWNACGYMJYAV-RTBURBONSA-N 0 3 325.412 2.142 40 0 EEABHN O=c1ccc2c(n1CCN1CCCC1)CCN(Cc1ccoc1)CC2 ZINC000096196707 463201835 /nfs/dbraw/zinc/20/18/35/463201835.db2.gz HEXJSXVNDQFYGV-UHFFFAOYSA-N 0 3 341.455 2.138 40 0 EEABHN c1cncc(NC[C@@H]2CC[C@H]3[C@@H]2OCCN3CC2CCOCC2)c1 ZINC000096250146 463227579 /nfs/dbraw/zinc/22/75/79/463227579.db2.gz RHBLTLZYACKDMN-YTQUADARSA-N 0 3 331.460 2.400 40 0 EEABHN C[C@H](CNC(=O)NCc1ccccc1Cn1cccn1)N(C)C1CC1 ZINC000096404187 463238290 /nfs/dbraw/zinc/23/82/90/463238290.db2.gz VPBYCFJXRNCZNJ-OAHLLOKOSA-N 0 3 341.459 2.213 40 0 EEABHN CN(C[C@@H]1CCN(C)C1)C(=O)c1cccc(OCC(F)(F)F)n1 ZINC000096417006 463248863 /nfs/dbraw/zinc/24/88/63/463248863.db2.gz PTVICFXBSGQCPO-LLVKDONJSA-N 0 3 331.338 2.046 40 0 EEABHN c1ccc2[nH]c(N3CCCN(CCOC[C@@H]4CCCO4)CC3)nc2c1 ZINC000096421113 463253002 /nfs/dbraw/zinc/25/30/02/463253002.db2.gz OZMMTBBUSXITNS-INIZCTEOSA-N 0 3 344.459 2.271 40 0 EEABHN CC(C)[C@@H](CNc1nc2ccccc2cc1CO)N1CCN(C)CC1 ZINC000096429131 463259290 /nfs/dbraw/zinc/25/92/90/463259290.db2.gz CHGBCBTYKHQAJK-LJQANCHMSA-N 0 3 342.487 2.411 40 0 EEABHN Cc1ncsc1C(=O)NC1CCN(Cc2nc(C)ccc2O)CC1 ZINC000096490011 463287061 /nfs/dbraw/zinc/28/70/61/463287061.db2.gz RQUCFCAPLRWCNP-UHFFFAOYSA-N 0 3 346.456 2.255 40 0 EEABHN COc1ccccc1[C@@H](CN)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000101039098 463376147 /nfs/dbraw/zinc/37/61/47/463376147.db2.gz FLWOQQLEUGTSJR-DZGCQCFKSA-N 0 3 335.448 2.294 40 0 EEABHN CC(C)(C)OC(=O)CN1C[C@@H](c2cccs2)SC[C@H](N)C1=O ZINC000034170798 463427317 /nfs/dbraw/zinc/42/73/17/463427317.db2.gz ZONWYQJUNYSOTA-JQWIXIFHSA-N 0 3 342.486 2.034 40 0 EEABHN COc1ccc(CN2CC[C@]3(C[C@@H](Nc4cnccn4)CO3)C2)cc1 ZINC000107226452 463562968 /nfs/dbraw/zinc/56/29/68/463562968.db2.gz KMMAAZBJHUNIJR-APWZRJJASA-N 0 3 340.427 2.331 40 0 EEABHN Cc1nn(C)cc1CN1CC[C@]2(CCC[C@H]2C(=O)N2CCCCO2)C1 ZINC000108527289 463610084 /nfs/dbraw/zinc/61/00/84/463610084.db2.gz GHQBRCFLTMZJIH-PKOBYXMFSA-N 0 3 346.475 2.275 40 0 EEABHN Cc1ncc(CN2CCC3(CC(=O)N(Cc4cccnc4)C3)CC2)[nH]1 ZINC000108536235 463611548 /nfs/dbraw/zinc/61/15/48/463611548.db2.gz HIQYLPUOZQJIHX-UHFFFAOYSA-N 0 3 339.443 2.128 40 0 EEABHN CN(C)C(=O)c1ccc(F)c(NC(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000084722094 463624717 /nfs/dbraw/zinc/62/47/17/463624717.db2.gz UQOVDUDGUYAKKF-AWEZNQCLSA-N 0 3 348.422 2.230 40 0 EEABHN Cc1cn[nH]c1[C@H]1CCCN(C(=O)CCN(C)Cc2ccccn2)C1 ZINC000257290433 463765082 /nfs/dbraw/zinc/76/50/82/463765082.db2.gz QCYDEYYGEKWPMZ-INIZCTEOSA-N 0 3 341.459 2.341 40 0 EEABHN Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3ccccn3)CCO2)n1 ZINC000257330944 463781265 /nfs/dbraw/zinc/78/12/65/463781265.db2.gz XQSOTQDPTJTDIY-KRWDZBQOSA-N 0 3 326.400 2.065 40 0 EEABHN CC(=O)N[C@]12CN(C(C)C)[C@H](c3ccccc3)[C@H]1CN(C(C)=O)CC2 ZINC000257333334 463782271 /nfs/dbraw/zinc/78/22/71/463782271.db2.gz YBDRQTQLMYCQAN-VAMGGRTRSA-N 0 3 343.471 2.195 40 0 EEABHN OC[C@@]1(NC2CC(c3ccc(Br)cc3)C2)CCOC1 ZINC000194173017 463807912 /nfs/dbraw/zinc/80/79/12/463807912.db2.gz PITOWPHODCVTEH-ZALBZXLWSA-N 0 3 326.234 2.436 40 0 EEABHN COc1ccc([C@H](C)NC[C@@]2(O)CCOC2)c(Br)c1 ZINC000225549519 464170891 /nfs/dbraw/zinc/17/08/91/464170891.db2.gz FQNRDYRGJVLKIS-HZMBPMFUSA-N 0 3 330.222 2.260 40 0 EEABHN C[C@H](NCCn1ccnc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000225547069 464171084 /nfs/dbraw/zinc/17/10/84/464171084.db2.gz FFIPYOPPHWKRMS-AWEZNQCLSA-N 0 3 332.423 2.334 40 0 EEABHN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000247830015 464709186 /nfs/dbraw/zinc/70/91/86/464709186.db2.gz KLVYWQIIQUTEAA-KMANFZQXSA-N 0 3 340.471 2.265 40 0 EEABHN CC(C(=O)N1CCc2ccccc2[C@@]1(C)C(F)(F)F)S(C)(=O)=O ZINC000252499661 464970931 /nfs/dbraw/zinc/97/09/31/464970931.db2.gz SDSLEZAUDWMNPN-HZMBPMFUSA-N 0 3 349.374 2.282 40 0 EEABHN CCN(C(=O)OCc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@H](C)N)CC1 ZINC000252517597 464979394 /nfs/dbraw/zinc/97/93/94/464979394.db2.gz MJEYWCXHLFXGRJ-XIRDDKMYSA-N 0 3 347.459 2.420 40 0 EEABHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000253369758 464994427 /nfs/dbraw/zinc/99/44/27/464994427.db2.gz HVTNJQMUGPUVKW-WMLDXEAASA-N 0 3 342.447 2.130 40 0 EEABHN Cc1nnc2n1C1(CCN(Cc3ccccc3F)CC1)CN(C)C2 ZINC000306139929 466494561 /nfs/dbraw/zinc/49/45/61/466494561.db2.gz UEGLNDCXBMJLLL-UHFFFAOYSA-N 0 3 329.423 2.162 40 0 EEABHN COCCN1C[C@@]2(CC1=O)COCCN(Cc1cc(C)ccc1C)C2 ZINC000585103380 468970986 /nfs/dbraw/zinc/97/09/86/468970986.db2.gz BTALOTZKIIFYRU-FQEVSTJZSA-N 0 3 346.471 2.001 40 0 EEABHN CO[C@@]1(CCC(N)=O)CCCN(Cc2ccc3ncccc3c2)C1 ZINC000585277668 469003194 /nfs/dbraw/zinc/00/31/94/469003194.db2.gz KBEJCAOEDPPQPC-LJQANCHMSA-N 0 3 327.428 2.481 40 0 EEABHN COc1ccc(OC)c(-c2ccc3nnc([C@H]4CCCN4)n3n2)c1 ZINC000217556694 536823322 /nfs/dbraw/zinc/82/33/22/536823322.db2.gz ILKVIAYZJCYFQY-CQSZACIVSA-N 0 3 325.372 2.233 40 0 EEABHN Cc1nc(C(=O)N(C)C2CCN(CCn3cccn3)CC2)c(C)s1 ZINC000178562240 232256696 /nfs/dbraw/zinc/25/66/96/232256696.db2.gz OPTVLIIJWKLHAD-UHFFFAOYSA-N 0 3 347.488 2.193 40 0 EEABHN CN1CCC(OC(=O)[C@](O)(c2ccns2)c2ccccc2)CC1 ZINC000001641834 209772574 /nfs/dbraw/zinc/77/25/74/209772574.db2.gz DUBGPZZEEYRMDD-QGZVFWFLSA-N 0 3 332.425 2.016 40 0 EEABHN CN(C)CCSc1nnnn1-c1ccc(Br)cc1 ZINC000072262971 216085964 /nfs/dbraw/zinc/08/59/64/216085964.db2.gz NEHPDMIUHCTLSX-UHFFFAOYSA-N 0 3 328.239 2.079 40 0 EEABHN CN1CCC[C@H](Cc2cnc(C(=O)NCc3ccccc3F)cn2)C1 ZINC000072360423 216167538 /nfs/dbraw/zinc/16/75/38/216167538.db2.gz SCCLMOQRXLOUND-CQSZACIVSA-N 0 3 342.418 2.430 40 0 EEABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3cccn3C)CCO2)n1 ZINC000257249029 244265577 /nfs/dbraw/zinc/26/55/77/244265577.db2.gz JGJYDJLIIAPHTA-QGZVFWFLSA-N 0 3 328.416 2.008 40 0 EEABHN c1ccc2c(CN3CCC[C@H](c4nnc5n4CCNC5)C3)ccnc2c1 ZINC000019711031 212057267 /nfs/dbraw/zinc/05/72/67/212057267.db2.gz BNPHANHQQVKCIP-INIZCTEOSA-N 0 3 348.454 2.309 40 0 EEABHN CN1CCc2nc([C@H]3CCCN(C(=O)C4CCCC4)C3)ncc2C1 ZINC000019590367 212048335 /nfs/dbraw/zinc/04/83/35/212048335.db2.gz RJCSGXMWCSVUQI-HNNXBMFYSA-N 0 3 328.460 2.361 40 0 EEABHN C[C@@H](NC1(CNC(=O)[C@@H]2CCCO2)CCOCC1)c1ccccc1 ZINC000079096466 217191678 /nfs/dbraw/zinc/19/16/78/217191678.db2.gz JPTALMXOVCFHSQ-WBVHZDCISA-N 0 3 332.444 2.182 40 0 EEABHN CC(C)N(C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)CN ZINC000079392965 217219348 /nfs/dbraw/zinc/21/93/48/217219348.db2.gz XBXFNDPHVFLPLD-QGZVFWFLSA-N 0 3 347.459 2.231 40 0 EEABHN CCN(C[C@@H]1CCCN(C(=O)[C@H](C)N)C1)C(=O)OCc1ccccc1 ZINC000079412886 217222343 /nfs/dbraw/zinc/22/23/43/217222343.db2.gz FETDHNUSBJNWSG-RDJZCZTQSA-N 0 3 347.459 2.231 40 0 EEABHN C[C@@H]1C[C@@H](NS(=O)(=O)Cc2ccon2)CCN1Cc1ccccc1 ZINC000080294478 217295708 /nfs/dbraw/zinc/29/57/08/217295708.db2.gz BFAMPKBVQYNBEJ-ZBFHGGJFSA-N 0 3 349.456 2.147 40 0 EEABHN Fc1ccc(CNC[C@@H]([C@H]2CCOC2)N2CCOCC2)c(Cl)c1 ZINC000095425750 218367419 /nfs/dbraw/zinc/36/74/19/218367419.db2.gz ZIGIZXWOJGLKPK-YOEHRIQHSA-N 0 3 342.842 2.306 40 0 EEABHN CCc1ccc(CN[C@@H]2CCc3c(ccc(=O)n3CCOC)C2)o1 ZINC000096044209 218530351 /nfs/dbraw/zinc/53/03/51/218530351.db2.gz AZWDBCKUFVFLEK-OAHLLOKOSA-N 0 3 330.428 2.297 40 0 EEABHN CCN1CCC[C@@H]1CNC(=O)Nc1c[nH]c2cc(OC)ccc2c1=O ZINC000004908295 210319193 /nfs/dbraw/zinc/31/91/93/210319193.db2.gz QOJHOIVDJGXLJN-GFCCVEGCSA-N 0 3 344.415 2.143 40 0 EEABHN Brc1cccc(N2CCN(CCn3ccnc3)CC2)c1 ZINC000330032509 465512028 /nfs/dbraw/zinc/51/20/28/465512028.db2.gz OONITROCQSRKAH-UHFFFAOYSA-N 0 3 335.249 2.468 40 0 EEABHN C[C@@H](NCCn1c2ccccc2[nH]c1=O)c1ccc([S@@](C)=O)cc1 ZINC000090220617 462785415 /nfs/dbraw/zinc/78/54/15/462785415.db2.gz GBCTXJSJIXJAID-OZAJXLCCSA-N 0 3 343.452 2.418 40 0 EEABHN COc1ccc(NCc2n[nH]c([C@H](N)c3cccc(OC)c3)n2)cc1 ZINC000095533544 463107681 /nfs/dbraw/zinc/10/76/81/463107681.db2.gz IITDDIGKFXKCNU-QGZVFWFLSA-N 0 3 339.399 2.482 40 0 EEABHN Fc1ccc(CNC[C@H]2Cn3nnc(-c4ccncc4)c3CO2)cc1 ZINC000096061063 463161822 /nfs/dbraw/zinc/16/18/22/463161822.db2.gz AMZRLBWYHHQUJG-INIZCTEOSA-N 0 3 339.374 2.168 40 0 EEABHN O=C(NC[C@@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@H]21)c1ccco1 ZINC000096064310 463163598 /nfs/dbraw/zinc/16/35/98/463163598.db2.gz PKODRAOEAGDGPD-INMHGKMJSA-N 0 3 330.384 2.140 40 0 EEABHN COc1ncccc1CN1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC000096159515 463190973 /nfs/dbraw/zinc/19/09/73/463190973.db2.gz YTCAMWWEWKPZDW-LJQANCHMSA-N 0 3 338.411 2.114 40 0 EEABHN Cn1cc(CN2CCN3C[C@H](OCc4ccccc4F)C[C@H]3C2)cn1 ZINC000096183559 463195679 /nfs/dbraw/zinc/19/56/79/463195679.db2.gz XRHWHTXCFPDKJK-ZWKOTPCHSA-N 0 3 344.434 2.035 40 0 EEABHN O=c1ccc2c(n1Cc1cccnc1)CCN(Cc1ccoc1)CC2 ZINC000096196709 463201498 /nfs/dbraw/zinc/20/14/98/463201498.db2.gz PQTZLFCAVOEETE-UHFFFAOYSA-N 0 3 335.407 2.485 40 0 EEABHN CN1CCN(C(=O)c2cnc[nH]2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257279669 463760538 /nfs/dbraw/zinc/76/05/38/463760538.db2.gz OHQWHVFYKWOVCZ-OAHLLOKOSA-N 0 3 349.438 2.204 40 0 EEABHN Cc1cn[nH]c1[C@@H]1CCCN(C(=O)CCN(C)Cc2ccccn2)C1 ZINC000257290434 463764549 /nfs/dbraw/zinc/76/45/49/463764549.db2.gz QCYDEYYGEKWPMZ-MRXNPFEDSA-N 0 3 341.459 2.341 40 0 EEABHN COc1cccc(CNC(=O)c2ccccc2-n2cnc(CN)c2)c1 ZINC000257314887 463775190 /nfs/dbraw/zinc/77/51/90/463775190.db2.gz UYYVBLHTULKWEV-UHFFFAOYSA-N 0 3 336.395 2.270 40 0 EEABHN Cc1cc(N(C)C2CC3(C2)CCN(Cc2ccnc(C)n2)C3)ncn1 ZINC000257344575 463788014 /nfs/dbraw/zinc/78/80/14/463788014.db2.gz ZXWNGKMOIKCXJK-UHFFFAOYSA-N 0 3 338.459 2.374 40 0 EEABHN N[C@H](CC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000225444902 464161199 /nfs/dbraw/zinc/16/11/99/464161199.db2.gz DPNQYWJWEACAPM-GOSISDBHSA-N 0 3 337.423 2.061 40 0 EEABHN C[N@@H+]1CC[C@@H](Nc2ncnc3[n-]cnc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000225600773 464175850 /nfs/dbraw/zinc/17/58/50/464175850.db2.gz LRIHMPKQHYTWLD-OCCSQVGLSA-N 0 3 330.342 2.488 40 0 EEABHN C[N@H+]1CC[C@@H](Nc2ncnc3[n-]cnc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000225600773 464175855 /nfs/dbraw/zinc/17/58/55/464175855.db2.gz LRIHMPKQHYTWLD-OCCSQVGLSA-N 0 3 330.342 2.488 40 0 EEABHN CN(Cc1ccco1)C[C@H]1CCC2(CN(c3ncc(F)cn3)C2)OC1 ZINC000248042318 464726134 /nfs/dbraw/zinc/72/61/34/464726134.db2.gz LCZXNTKGSQKXEQ-CQSZACIVSA-N 0 3 346.406 2.326 40 0 EEABHN Cc1nc(C)c(CN2CCC[C@]3(CN(c4ncccn4)C3=O)C2)s1 ZINC000585099506 468969193 /nfs/dbraw/zinc/96/91/93/468969193.db2.gz OWAMPVKZNZUPLS-QGZVFWFLSA-N 0 3 343.456 2.179 40 0 EEABHN O=C(c1ccc([O-])cc1)N1CCC2(CO[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000585105428 468972518 /nfs/dbraw/zinc/97/25/18/468972518.db2.gz WKPFQZODVNZQHK-GOSISDBHSA-N 0 3 344.455 2.499 40 0 EEABHN COc1ccc(-c2ccc3nnc([C@@H]4CCCN4)n3n2)cc1OC ZINC000217556405 536896630 /nfs/dbraw/zinc/89/66/30/536896630.db2.gz UVAVSOOQMAPOOY-ZDUSSCGKSA-N 0 3 325.372 2.233 40 0 EEABHN Cc1noc(C)c1Cc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)o1 ZINC000028242910 1352373967 /nfs/dbraw/zinc/37/39/67/1352373967.db2.gz BKZAOFSGLKNCBR-CQSZACIVSA-N 0 3 329.400 2.395 40 0 EEABHN CN(C)CCn1ccc(NC(=O)N[C@H]2CCO[C@H]2c2ccccc2)n1 ZINC000096447179 282115872 /nfs/dbraw/zinc/11/58/72/282115872.db2.gz WMWVZLVTGGFNPK-RDJZCZTQSA-N 0 3 343.431 2.096 40 0 EEABHN COC[C@@]1(CN)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218037439 241291690 /nfs/dbraw/zinc/29/16/90/241291690.db2.gz YSYLHMUKBHEYIN-BZSNNMDCSA-N 0 3 331.437 2.218 40 0 EEABHN CC(C)[C@H](N)C(=O)N(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000079391480 217219227 /nfs/dbraw/zinc/21/92/27/217219227.db2.gz OVVCBTFXRWWULW-GJZGRUSLSA-N 0 3 339.480 2.360 40 0 EEABHN CCN(C(=O)[C@@H](N)C(C)C)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079393299 217219437 /nfs/dbraw/zinc/21/94/37/217219437.db2.gz CWEZWKAJFYIAEM-IRXDYDNUSA-N 0 3 347.459 2.229 40 0 EEABHN Cc1nc2c(c(N(C)CCN(C)C)n1)CN(Cc1ccccc1)CC2 ZINC000012183345 211311702 /nfs/dbraw/zinc/31/17/02/211311702.db2.gz FIBWYXYJYUNUCJ-UHFFFAOYSA-N 0 3 339.487 2.341 40 0 EEABHN Cc1ccn2c(CN3CCC[C@@H](CN4CCOCC4)C3)cnc2c1 ZINC000093017454 218186593 /nfs/dbraw/zinc/18/65/93/218186593.db2.gz LISHYQYBPLNHCY-KRWDZBQOSA-N 0 3 328.460 2.187 40 0 EEABHN CN(Cc1ccc2c(c1)OCCO2)C(=O)C[C@@H](N)Cc1ccccc1 ZINC000095427980 218370408 /nfs/dbraw/zinc/37/04/08/218370408.db2.gz YDVZFNPJAJDEAP-KRWDZBQOSA-N 0 3 340.423 2.376 40 0 EEABHN CCOC[C@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)CC ZINC000218517326 286181198 /nfs/dbraw/zinc/18/11/98/286181198.db2.gz LAWYZEKVYYRCQP-IXDOHACOSA-N 0 3 325.474 2.131 40 0 EEABHN CCOc1ccc([C@@H]2NC(=N)Nc3nc(=O)c4ccccc4n32)cc1 ZINC000021145465 276376335 /nfs/dbraw/zinc/37/63/35/276376335.db2.gz OEFCPYHYOZASQX-OAHLLOKOSA-N 0 3 335.367 2.082 40 0 EEABHN CSc1ccc([C@@H]2NC(=N)Nc3nc(=O)c4ccccc4n32)cc1 ZINC000021145462 278174478 /nfs/dbraw/zinc/17/44/78/278174478.db2.gz JMWWQGNYONBYNS-CQSZACIVSA-N 0 3 337.408 2.406 40 0 EEABHN C[C@H](O)[C@@H]1CCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000097102722 323321489 /nfs/dbraw/zinc/32/14/89/323321489.db2.gz IKJSCECHGJNROI-HQRMLTQVSA-N 0 3 345.487 2.453 40 0 EEABHN C[C@@H](N[C@H]1CCc2n[nH]cc2C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000090455241 462791640 /nfs/dbraw/zinc/79/16/40/462791640.db2.gz OZDZQBVSDWDIMF-MFKMUULPSA-N 0 3 337.420 2.160 40 0 EEABHN C[C@@H]1C[C@@H](Nc2cccc(N3CCN(CC4CC4)CC3)c2)C(=O)O1 ZINC000079029887 463181174 /nfs/dbraw/zinc/18/11/74/463181174.db2.gz LWCWRGQLFUAHHS-RDTXWAMCSA-N 0 3 329.444 2.335 40 0 EEABHN O=C(NC[C@@H]1OC[C@H]2CN(Cc3cccc(F)c3)CC[C@@H]12)C1CC1 ZINC000096185305 463196094 /nfs/dbraw/zinc/19/60/94/463196094.db2.gz CUVGQZCLHUICLK-NXHRZFHOSA-N 0 3 332.419 2.189 40 0 EEABHN CCC(=O)N1CCC2(C[C@@H](COC)N(Cc3cccnc3)C2)CC1 ZINC000096206224 463208798 /nfs/dbraw/zinc/20/87/98/463208798.db2.gz JSYCNWXEGDMCBR-KRWDZBQOSA-N 0 3 331.460 2.321 40 0 EEABHN CO[C@@H]1CCN(Cc2ccccn2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096209441 463214151 /nfs/dbraw/zinc/21/41/51/463214151.db2.gz WBIXDXJZBUILSH-XUVXKRRUSA-N 0 3 338.455 2.198 40 0 EEABHN O=C(c1cscn1)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096245503 463226039 /nfs/dbraw/zinc/22/60/39/463226039.db2.gz INFVGVQKNSANQG-KBPBESRZSA-N 0 3 331.416 2.486 40 0 EEABHN Cc1noc(C)c1C(=O)N1CC[C@H]2OCCN(CC3CC3)[C@@H]2CC1 ZINC000096249336 463226875 /nfs/dbraw/zinc/22/68/75/463226875.db2.gz SQNBGLVBRHOGHU-HZPDHXFCSA-N 0 3 333.432 2.007 40 0 EEABHN C[C@H](C(=O)NCCc1nc2ccccc2n1C)N1CCCCCC1 ZINC000096436508 463265019 /nfs/dbraw/zinc/26/50/19/463265019.db2.gz AWZVKINCDVWAHH-OAHLLOKOSA-N 0 3 328.460 2.497 40 0 EEABHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000096476000 463280261 /nfs/dbraw/zinc/28/02/61/463280261.db2.gz ANDHVPAPSQMAGP-PBHICJAKSA-N 0 3 342.447 2.130 40 0 EEABHN C[C@@H](CN1CCN(C)CC1)NCc1sccc1Br ZINC000097378274 463356446 /nfs/dbraw/zinc/35/64/46/463356446.db2.gz KYCNDDQOYNAGGB-NSHDSACASA-N 0 3 332.311 2.236 40 0 EEABHN Cc1cnn(CCN[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c1 ZINC000162117615 463484925 /nfs/dbraw/zinc/48/49/25/463484925.db2.gz ZTPGOMKSGORIMF-HNNXBMFYSA-N 0 3 336.798 2.379 40 0 EEABHN COCCN1CCC[C@@H]1CNC(=O)NCc1ccc2ncccc2c1 ZINC000194164339 463806413 /nfs/dbraw/zinc/80/64/13/463806413.db2.gz FDNVBFVLGMCZJD-QGZVFWFLSA-N 0 3 342.443 2.145 40 0 EEABHN COc1ccc2c(c1)OCCC[C@@H]2NC[C@@](C)(O)c1cnn(C)c1 ZINC000195561635 464076905 /nfs/dbraw/zinc/07/69/05/464076905.db2.gz MQBPWSGMFQBLNQ-FUHWJXTLSA-N 0 3 331.416 2.140 40 0 EEABHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCc1ccccn1 ZINC000248396359 464746543 /nfs/dbraw/zinc/74/65/43/464746543.db2.gz PYOAAGCICJEATM-QFBILLFUSA-N 0 3 338.455 2.444 40 0 EEABHN O=C(NCC1CCN([C@H]2CCOC2)CC1)c1cc2ccccc2[nH]1 ZINC000575608150 468147060 /nfs/dbraw/zinc/14/70/60/468147060.db2.gz QZJMAPHYYYHLFI-INIZCTEOSA-N 0 3 327.428 2.399 40 0 EEABHN CCOc1cccc(C(=O)N2CC3(C2)C[C@@H](CO)CN3CC2CC2)c1 ZINC000585093775 468963701 /nfs/dbraw/zinc/96/37/01/468963701.db2.gz FJYUHIOXBLPOMM-MRXNPFEDSA-N 0 3 344.455 2.004 40 0 EEABHN CN(C)C(=O)COCC[C@@H]1Cn2cccc2CN(CC2CCC2)C1 ZINC000585095585 468964771 /nfs/dbraw/zinc/96/47/71/468964771.db2.gz ZBQSWWIDCZMSLC-KRWDZBQOSA-N 0 3 333.476 2.215 40 0 EEABHN C[C@@H]1Cc2nnc(COc3ncccc3F)n2CCN1CC1CCC1 ZINC000585098220 468967368 /nfs/dbraw/zinc/96/73/68/468967368.db2.gz SFQYPDXCAMNKBW-CYBMUJFWSA-N 0 3 345.422 2.438 40 0 EEABHN CC(=O)N1CCN(C2CCCCC2)C[C@@](O)(COc2ccccc2)C1 ZINC000585281575 469008585 /nfs/dbraw/zinc/00/85/85/469008585.db2.gz LCYSPJSEARODJK-HXUWFJFHSA-N 0 3 346.471 2.293 40 0 EEABHN CC1(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC000181225363 527986417 /nfs/dbraw/zinc/98/64/17/527986417.db2.gz UJQMLRCYZNJWOD-UHFFFAOYSA-N 0 3 336.379 2.373 40 0 EEABHN COc1ccc(-c2ccc3nnc([C@H](N)C(C)C)n3n2)cc1OC ZINC000217565656 536896924 /nfs/dbraw/zinc/89/69/24/536896924.db2.gz QHUXVEQZKLGVDO-MRXNPFEDSA-N 0 3 327.388 2.464 40 0 EEABHN CC(=O)NCc1ccc(C(=O)N[C@H](CN(C)C)c2ccccc2)cc1 ZINC000040467662 213310190 /nfs/dbraw/zinc/31/01/90/213310190.db2.gz NEGDNEGRKNXXFX-LJQANCHMSA-N 0 3 339.439 2.355 40 0 EEABHN CC1CCN(Cc2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000038854084 213228780 /nfs/dbraw/zinc/22/87/80/213228780.db2.gz APDYAQSEUAKQEM-UHFFFAOYSA-N 0 3 343.471 2.256 40 0 EEABHN CN1CCc2nc([C@H]3CCCCN3C(=O)c3ccncc3)ncc2C1 ZINC000019590307 283177040 /nfs/dbraw/zinc/17/70/40/283177040.db2.gz WOOMLWPMLKKWFA-QGZVFWFLSA-N 0 3 337.427 2.227 40 0 EEABHN CN1CCC[C@H](c2cnc(-c3ccc(S(C)(=O)=O)cc3)cn2)C1 ZINC000072360757 216167044 /nfs/dbraw/zinc/16/70/44/216167044.db2.gz DDEBUBVLGIKMDV-AWEZNQCLSA-N 0 3 331.441 2.356 40 0 EEABHN Cc1cc(N(C)C)cc(C2CCN(C(=O)c3cnccn3)CC2)n1 ZINC000072368295 216174058 /nfs/dbraw/zinc/17/40/58/216174058.db2.gz ARTBIDKQCAZUEP-UHFFFAOYSA-N 0 3 325.416 2.266 40 0 EEABHN CNCC(=O)N1CCC[C@H]1c1cccc(Nc2nc(C)cs2)n1 ZINC000072383008 216184038 /nfs/dbraw/zinc/18/40/38/216184038.db2.gz LCSXMIYKPZNVTM-ZDUSSCGKSA-N 0 3 331.445 2.473 40 0 EEABHN CO[C@@H](C)c1nsc(N2CC[C@H](OCCN3CCCCC3)C2)n1 ZINC000225750752 242016868 /nfs/dbraw/zinc/01/68/68/242016868.db2.gz HZUKKOYWHAIONJ-KBPBESRZSA-N 0 3 340.493 2.327 40 0 EEABHN COc1ccc(Cl)c(C(=O)N2Cc3ccnn3[C@H](CN(C)C)C2)c1 ZINC000248144778 243538140 /nfs/dbraw/zinc/53/81/40/243538140.db2.gz VISJYMDMVFIRHB-CYBMUJFWSA-N 0 3 348.834 2.304 40 0 EEABHN CN(C(=O)[C@H]1CCCO1)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019586646 212049153 /nfs/dbraw/zinc/04/91/53/212049153.db2.gz UHTJKSGLUOZGPP-KGXSXCIVSA-N 0 3 344.455 2.487 40 0 EEABHN CCOc1cc(C[N@@H+]2CC[C@H](c3cc(=O)[n-]c(C)n3)C2)ccc1OC ZINC000019531900 212039950 /nfs/dbraw/zinc/03/99/50/212039950.db2.gz ARSGXGNHIKBVST-HNNXBMFYSA-N 0 3 343.427 2.475 40 0 EEABHN CCOc1cc(C[N@H+]2CC[C@H](c3cc(=O)[n-]c(C)n3)C2)ccc1OC ZINC000019531900 212039951 /nfs/dbraw/zinc/03/99/51/212039951.db2.gz ARSGXGNHIKBVST-HNNXBMFYSA-N 0 3 343.427 2.475 40 0 EEABHN CC(C)[C@H](N)C(=O)N(C)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079393276 217219501 /nfs/dbraw/zinc/21/95/01/217219501.db2.gz SRXSWOGOAWETGZ-SJORKVTESA-N 0 3 347.459 2.229 40 0 EEABHN CC(C)[C@H](N)C(=O)N(C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079391415 217218490 /nfs/dbraw/zinc/21/84/90/217218490.db2.gz GYBBTFVDWWGLKN-AWEZNQCLSA-N 0 3 327.469 2.075 40 0 EEABHN CC(C)[C@H](N)C(=O)NCC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079393258 217219081 /nfs/dbraw/zinc/21/90/81/217219081.db2.gz YWHIVVBNFAPNBO-KRWDZBQOSA-N 0 3 347.459 2.135 40 0 EEABHN Cc1ccc(CNC2CCN(C(N)=O)CC2)c(Br)c1 ZINC000095435696 218378543 /nfs/dbraw/zinc/37/85/43/218378543.db2.gz GZVVYNMGMPBPHN-UHFFFAOYSA-N 0 3 326.238 2.390 40 0 EEABHN CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CCC(C(C)(C)C)CC1 ZINC000408709996 285255718 /nfs/dbraw/zinc/25/57/18/285255718.db2.gz KOXLQTWHKBLKFU-UYSNPLJNSA-N 0 3 337.508 2.308 40 0 EEABHN CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1N(C)C(=O)OC(C)(C)C ZINC000079410127 280275051 /nfs/dbraw/zinc/27/50/51/280275051.db2.gz QQZPIXIVQAOUCY-MCIONIFRSA-N 0 3 327.469 2.264 40 0 EEABHN O=C1[C@H](N[C@@H]2CCO[C@@H]2c2ccccc2)CCN1CC(F)(F)F ZINC000191958279 280326016 /nfs/dbraw/zinc/32/60/16/280326016.db2.gz UEPILEYCAJARDD-MGPQQGTHSA-N 0 3 328.334 2.269 40 0 EEABHN COc1ccc2c(c1)OCC[C@@H]2NC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000074661957 462621638 /nfs/dbraw/zinc/62/16/38/462621638.db2.gz GNQNLYZGJAYOCX-YOEHRIQHSA-N 0 3 345.443 2.399 40 0 EEABHN CCOC(=O)C[C@H](N)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000012648440 462862322 /nfs/dbraw/zinc/86/23/22/462862322.db2.gz LMHWUCOFJHJIFA-JKSUJKDBSA-N 0 3 334.416 2.458 40 0 EEABHN COc1ccc(CN2CCO[C@]3(C2)COCCN(C(C)C)C3)cc1 ZINC000096049731 463153238 /nfs/dbraw/zinc/15/32/38/463153238.db2.gz YEYBTSKZQOZPHW-IBGZPJMESA-N 0 3 334.460 2.007 40 0 EEABHN CN1CCN([C@@H]2COC3(C2)CCN(Cc2ccsc2)CC3)CC1 ZINC000096048841 463153594 /nfs/dbraw/zinc/15/35/94/463153594.db2.gz WYWBHDXVTJYBIB-KRWDZBQOSA-N 0 3 335.517 2.119 40 0 EEABHN Cc1ccc(CN2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)s1 ZINC000096077570 463169381 /nfs/dbraw/zinc/16/93/81/463169381.db2.gz KDOIROASGYMRSK-KRWDZBQOSA-N 0 3 330.457 2.419 40 0 EEABHN c1c2c(nn1Cc1ccccn1)[C@@H](CNCc1cccnc1)OCC2 ZINC000096086895 463171162 /nfs/dbraw/zinc/17/11/62/463171162.db2.gz KCAUDCXAZFZGCV-GOSISDBHSA-N 0 3 335.411 2.125 40 0 EEABHN O=C(c1cscn1)N1CCO[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC000096108092 463175783 /nfs/dbraw/zinc/17/57/83/463175783.db2.gz CQWOCMZVTTXTTR-NVXWUHKLSA-N 0 3 343.452 2.116 40 0 EEABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)c1ccnc3ccccc31)CC[C@H]2OC ZINC000096108536 463177644 /nfs/dbraw/zinc/17/76/44/463177644.db2.gz MKTZONJWGHISJP-QXAKKESOSA-N 0 3 339.439 2.416 40 0 EEABHN O=C(C[C@H]1CO[C@@H]2CN(CCc3ccccc3)C[C@H]12)N1CCCCO1 ZINC000096215902 463213393 /nfs/dbraw/zinc/21/33/93/463213393.db2.gz YOLRLIQVRCDRHZ-IPMKNSEASA-N 0 3 344.455 2.120 40 0 EEABHN Cc1cccc(CN2CCC[C@]3(CCN(c4cncnc4)C3=O)C2)n1 ZINC000096224564 463221277 /nfs/dbraw/zinc/22/12/77/463221277.db2.gz BARVWMOMLIULJG-IBGZPJMESA-N 0 3 337.427 2.199 40 0 EEABHN C[C@H]1C[C@@H](N(C)CCCS(C)(=O)=O)CCN1Cc1ccccc1 ZINC000096414931 463246966 /nfs/dbraw/zinc/24/69/66/463246966.db2.gz PXQHWSCTTIMRRD-WMZOPIPTSA-N 0 3 338.517 2.406 40 0 EEABHN CN1CCN(CCCCNC(=O)N[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000096439066 463265723 /nfs/dbraw/zinc/26/57/23/463265723.db2.gz OEZITJYKMJPKGU-MSOLQXFVSA-N 0 3 336.524 2.282 40 0 EEABHN c1[nH]nc(-c2ccccc2)c1CNC[C@@H]1COC2(CCOCC2)O1 ZINC000096494781 463288912 /nfs/dbraw/zinc/28/89/12/463288912.db2.gz DBMCYYZXNKAZFD-MRXNPFEDSA-N 0 3 329.400 2.088 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000096499785 463290300 /nfs/dbraw/zinc/29/03/00/463290300.db2.gz PRQIROOYGUUFHO-YPMHNXCESA-N 0 3 331.338 2.063 40 0 EEABHN CC(C)(C)c1ccc(OCC(N)=O)c(CN2C[C@@H]3C[C@@H](O)C[C@@H]3C2)c1 ZINC000257303541 463770939 /nfs/dbraw/zinc/77/09/39/463770939.db2.gz SHQGJJIIYFADFE-HALDLXJZSA-N 0 3 346.471 2.051 40 0 EEABHN COCCN1C(=O)Cc2c1nc([C@]1(C)CCCN(C(C)C)C1)nc2C ZINC000257342955 463788165 /nfs/dbraw/zinc/78/81/65/463788165.db2.gz ZQTIFHKNEPVYIN-LJQANCHMSA-N 0 3 346.475 2.082 40 0 EEABHN COc1ccc2c(c1)OCCC[C@H]2NC[C@](C)(O)c1cnn(C)c1 ZINC000195561648 464077172 /nfs/dbraw/zinc/07/71/72/464077172.db2.gz MQBPWSGMFQBLNQ-AEFFLSMTSA-N 0 3 331.416 2.140 40 0 EEABHN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)[nH]1 ZINC000223289771 464140762 /nfs/dbraw/zinc/14/07/62/464140762.db2.gz JMVOIJWCENWZPK-JKSUJKDBSA-N 0 3 329.473 2.252 40 0 EEABHN CC(=O)N1CCN(C2CCCC2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585281130 469007281 /nfs/dbraw/zinc/00/72/81/469007281.db2.gz FHFIHEDGCOSULQ-FQEVSTJZSA-N 0 3 346.471 2.212 40 0 EEABHN CCO[C@@H]1C[C@@H](NCc2ccc(N3CCN(C)CC3)nc2)C12CCC2 ZINC000181456189 527838178 /nfs/dbraw/zinc/83/81/78/527838178.db2.gz INUWZQHDUYOXLF-QZTJIDSGSA-N 0 3 344.503 2.271 40 0 EEABHN COC1CCN(C(=O)[C@@H]2CN(C)[C@H]3c4cc(F)ccc4OC[C@H]32)CC1 ZINC001772595913 1178867622 /nfs/dbraw/zinc/86/76/22/1178867622.db2.gz SDPYMIMGPUYQFY-RYRKJORJSA-N 0 3 348.418 2.074 40 0 EEABHN COc1cc(C)ccc1CN1CCn2c(nnc2[C@H]2CCCN2)C1 ZINC000072373963 216177941 /nfs/dbraw/zinc/17/79/41/216177941.db2.gz SFXWJBRXXVDNQG-OAHLLOKOSA-N 0 3 327.432 2.035 40 0 EEABHN CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCc3c[nH]nc3C2)cc1 ZINC000236826879 242372479 /nfs/dbraw/zinc/37/24/79/242372479.db2.gz RPOAOYGCQJJENH-NVXWUHKLSA-N 0 3 326.444 2.454 40 0 EEABHN CC(C)C(=O)N[C@H]1CCN(Cc2ccc3ccccc3n2)CC[C@@H]1O ZINC000257256931 244285188 /nfs/dbraw/zinc/28/51/88/244285188.db2.gz KNKXJECAQJNNIE-OALUTQOASA-N 0 3 341.455 2.332 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CC[C@H](CN(C(=O)OC(C)(C)C)C(C)C)C1 ZINC000079410258 217222092 /nfs/dbraw/zinc/22/20/92/217222092.db2.gz IGMDHOXSVQGQBR-GJZGRUSLSA-N 0 3 341.496 2.464 40 0 EEABHN CCc1ccccc1NC(=O)C[C@@H](C)NC[C@](C)(O)c1cnn(C)c1 ZINC000095423100 218364846 /nfs/dbraw/zinc/36/48/46/218364846.db2.gz OUFHWUPEANRFGN-KUHUBIRLSA-N 0 3 344.459 2.197 40 0 EEABHN COc1cc(C(=O)O[C@@H]2CC[C@@H]3CC[C@H]2N3C)cc(OC)c1OC ZINC000008665401 462790579 /nfs/dbraw/zinc/79/05/79/462790579.db2.gz RCYQXSCEIUPTHM-BFHYXJOUSA-N 0 3 335.400 2.494 40 0 EEABHN c1cc(CN2CC[C@H]3CO[C@H](CNc4ncccn4)[C@H]3C2)cs1 ZINC000096185521 463197979 /nfs/dbraw/zinc/19/79/79/463197979.db2.gz WCVANZALCXJPHE-HRCADAONSA-N 0 3 330.457 2.487 40 0 EEABHN Cc1ccc(CN2CCCn3c(=O)cc(CN(C)C)nc3C2)s1 ZINC000096197538 463203653 /nfs/dbraw/zinc/20/36/53/463203653.db2.gz IVLHWSIZLHMGMJ-UHFFFAOYSA-N 0 3 332.473 2.081 40 0 EEABHN CO[C@@H]1CCN(C(=O)c2cc(C3CC3)on2)[C@@H]2CN(CC3CC3)C[C@@H]21 ZINC000096207308 463211045 /nfs/dbraw/zinc/21/10/45/463211045.db2.gz JRGDUPHKTUKNMG-USXIJHARSA-N 0 3 345.443 2.123 40 0 EEABHN Fc1ccc(CN2CC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)cc1 ZINC000096219388 463216550 /nfs/dbraw/zinc/21/65/50/463216550.db2.gz BIWIINKJSKJOIO-FUHWJXTLSA-N 0 3 328.391 2.461 40 0 EEABHN c1nc(COc2cccnc2)c2n1CCCN(C[C@@H]1CCOC1)C2 ZINC000096259977 463229944 /nfs/dbraw/zinc/22/99/44/463229944.db2.gz FUWGKLDNGYJEGA-HNNXBMFYSA-N 0 3 328.416 2.099 40 0 EEABHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cccc(OCC(F)(F)F)n1 ZINC000096417023 463249248 /nfs/dbraw/zinc/24/92/48/463249248.db2.gz QFIMDSSLUAGKTH-GFCCVEGCSA-N 0 3 343.349 2.237 40 0 EEABHN O=S(=O)(Cc1cccc2cccnc21)NC[C@@H]1CCN(C2CC2)C1 ZINC000096427682 463257339 /nfs/dbraw/zinc/25/73/39/463257339.db2.gz JMUDOLZAOGKOIR-AWEZNQCLSA-N 0 3 345.468 2.139 40 0 EEABHN CSc1ccccc1NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000096433698 463262552 /nfs/dbraw/zinc/26/25/52/463262552.db2.gz YJRGICLRTURDCE-AWEZNQCLSA-N 0 3 336.505 2.414 40 0 EEABHN COCCN1CC2(CCC1=O)CCN(Cc1ncccc1C)CC2 ZINC000108536291 463611874 /nfs/dbraw/zinc/61/18/74/463611874.db2.gz YCULIAHOGLOLKA-UHFFFAOYSA-N 0 3 331.460 2.241 40 0 EEABHN Cn1ccnc1-c1cc(C[C@H]2CCN(Cc3cccnc3)C2)ncn1 ZINC000257334164 463783271 /nfs/dbraw/zinc/78/32/71/463783271.db2.gz YEUJWKAPXFXYMA-OAHLLOKOSA-N 0 3 334.427 2.337 40 0 EEABHN CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(CC3CC3)CCN21 ZINC000253408595 465003016 /nfs/dbraw/zinc/00/30/16/465003016.db2.gz YIASPPRUJVWDRF-SFHVURJKSA-N 0 3 327.472 2.317 40 0 biogenic,in-vitro EEABHN CN1CC=C(CNC(=O)Nc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000390833792 467413968 /nfs/dbraw/zinc/41/39/68/467413968.db2.gz NEARAKWYMBWMSF-UHFFFAOYSA-N 0 3 344.337 2.406 40 0 EEABHN O=S1(=O)CC[C@H](NCCNC(c2ccccc2)c2ccccc2)C1 ZINC000575419524 468143964 /nfs/dbraw/zinc/14/39/64/468143964.db2.gz BZKPHFXXEYRXLD-SFHVURJKSA-N 0 3 344.480 2.142 40 0 EEABHN Cc1ccc(CC(=O)N2Cc3ccnn3CC[C@H]2CN(C)C)cc1 ZINC000585098546 468966953 /nfs/dbraw/zinc/96/69/53/468966953.db2.gz ZHUNFWYAOGQGRH-KRWDZBQOSA-N 0 3 326.444 2.097 40 0 EEABHN CCCn1cc(CN2CC[C@@H]3[C@H](C2)CCCC(=O)N3CCOC)cn1 ZINC000257215954 535611155 /nfs/dbraw/zinc/61/11/55/535611155.db2.gz CSKRTZHNUFTYMS-ZWKOTPCHSA-N 0 3 348.491 2.143 40 0 EEABHN Cn1ccnc1[C@](O)(CCNCc1cccc(F)c1)C(F)(F)F ZINC000067698812 215189570 /nfs/dbraw/zinc/18/95/70/215189570.db2.gz HOYJSSYLKQZKGE-CQSZACIVSA-N 0 3 331.313 2.489 40 0 EEABHN CNCC(=O)N1CCC2(CO[C@H](Cc3ccc(Cl)cc3)C2)CC1 ZINC000257264636 244358915 /nfs/dbraw/zinc/35/89/15/244358915.db2.gz LVJNCMADHTXDTR-MRXNPFEDSA-N 0 3 336.863 2.500 40 0 EEABHN CCN(C(=O)[C@H](C)N)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079393138 217218986 /nfs/dbraw/zinc/21/89/86/217218986.db2.gz AFDOFWRFUWJJQK-BHYGNILZSA-N 0 3 347.459 2.420 40 0 EEABHN O=C1C[C@]2(CCN(Cc3ccc(F)cc3)C2)CN1c1cncnc1 ZINC000096239221 275021224 /nfs/dbraw/zinc/02/12/24/275021224.db2.gz GQZRUSWPOKWLPD-SFHVURJKSA-N 0 3 326.375 2.245 40 0 EEABHN CCOc1ccc([C@H]2NC(=N)Nc3nc(=O)c4ccccc4n32)cc1 ZINC000021145467 279965476 /nfs/dbraw/zinc/96/54/76/279965476.db2.gz OEFCPYHYOZASQX-HNNXBMFYSA-N 0 3 335.367 2.082 40 0 EEABHN C[C@H](NCc1cc(=O)n2ccsc2n1)[C@@H]1COc2ccccc21 ZINC000185631902 323436636 /nfs/dbraw/zinc/43/66/36/323436636.db2.gz FLNGTJGLSLPZKJ-FZMZJTMJSA-N 0 3 327.409 2.410 40 0 EEABHN OCCN(Cc1ccccc1)C[C@@H](O)COc1ccc2c(c1)CCC2 ZINC000006495899 462688629 /nfs/dbraw/zinc/68/86/29/462688629.db2.gz GNDMRJGKZLETCY-HXUWFJFHSA-N 0 3 341.451 2.410 40 0 EEABHN Cc1cc(NC(=O)NCc2ccccc2CN2CCC(O)CC2)on1 ZINC000075535676 462727902 /nfs/dbraw/zinc/72/79/02/462727902.db2.gz MDIQZKKZUSBPOT-UHFFFAOYSA-N 0 3 344.415 2.261 40 0 EEABHN Cc1cc(O)c(C(=O)Nc2cccc(Cl)c2)c(=O)n1CCN(C)C ZINC000016790285 462990331 /nfs/dbraw/zinc/99/03/31/462990331.db2.gz LVRXEMJZGSCMDG-UHFFFAOYSA-N 0 3 349.818 2.330 40 0 EEABHN Cc1cc2cc(CNCCCN3CCCC3=O)c(=O)[nH]c2cc1C ZINC000019126180 463014340 /nfs/dbraw/zinc/01/43/40/463014340.db2.gz DYVSTNOXBJVKTK-UHFFFAOYSA-N 0 3 327.428 2.247 40 0 EEABHN Cc1cc(C)n2ncc(C(=O)N3CC[C@H]4[C@H]3CCCCCN4C)c2n1 ZINC000019712171 463021030 /nfs/dbraw/zinc/02/10/30/463021030.db2.gz SOALVUJKTVTHTG-DLBZAZTESA-N 0 3 341.459 2.435 40 0 EEABHN COC(=O)C1=C(CN2CCCC2)NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000020029432 463024559 /nfs/dbraw/zinc/02/45/59/463024559.db2.gz UDFHWMCWLYJAAK-QGZVFWFLSA-N 0 3 343.427 2.180 40 0 EEABHN COc1ccc(CN2CCO[C@@H]3[C@@H](COCCN(C)C)CC[C@H]32)cc1 ZINC000096055213 463158437 /nfs/dbraw/zinc/15/84/37/463158437.db2.gz QQGYWMKDZYYSIZ-MISYRCLQSA-N 0 3 348.487 2.253 40 0 EEABHN O=C([C@H]1CCC2(CCN(Cc3cccnc3)CC2)O1)N1CCCC1 ZINC000096061242 463161993 /nfs/dbraw/zinc/16/19/93/463161993.db2.gz RBYLANQFUOWBON-QGZVFWFLSA-N 0 3 329.444 2.218 40 0 EEABHN Cc1cccc(CN2CCC[C@]3(C[C@H](CN4CCOCC4)CO3)C2)n1 ZINC000096075585 463168449 /nfs/dbraw/zinc/16/84/49/463168449.db2.gz WAUJAMRVEFMVGK-QUCCMNQESA-N 0 3 345.487 2.093 40 0 EEABHN CCc1ccc(CN2CCC3(CC2)C(=O)N(C)CCN3CC)cc1 ZINC000096077200 463169045 /nfs/dbraw/zinc/16/90/45/463169045.db2.gz ZSFPUEOHCFPJCJ-UHFFFAOYSA-N 0 3 329.488 2.378 40 0 EEABHN CN(C)c1cnnc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)c1 ZINC000096098677 463172190 /nfs/dbraw/zinc/17/21/90/463172190.db2.gz UESKDIRRBRHURO-UHFFFAOYSA-N 0 3 344.394 2.036 40 0 EEABHN Cn1cc(CN2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)cn1 ZINC000096107029 463176142 /nfs/dbraw/zinc/17/61/42/463176142.db2.gz PNGFCLCYMIKHGR-OAHLLOKOSA-N 0 3 346.406 2.157 40 0 EEABHN COc1cccc(CN2C[C@@H]3COC[C@]3(CNC(=O)CC3CC3)C2)c1 ZINC000096108425 463177338 /nfs/dbraw/zinc/17/73/38/463177338.db2.gz JXVJTYMHYURASZ-XLIONFOSSA-N 0 3 344.455 2.060 40 0 EEABHN O=C(NC1CC(F)(F)C1)[C@]12COC[C@H]1CN(Cc1ccsc1)C2 ZINC000096110140 463179000 /nfs/dbraw/zinc/17/90/00/463179000.db2.gz CNGOHEWGOAQLHH-IUODEOHRSA-N 0 3 342.411 2.110 40 0 EEABHN COc1ccc(CN2CC[C@@]3(C[C@H](Nc4cnccn4)CO3)C2)cc1 ZINC000096219414 463215816 /nfs/dbraw/zinc/21/58/16/463215816.db2.gz KMMAAZBJHUNIJR-QFBILLFUSA-N 0 3 340.427 2.331 40 0 EEABHN C[C@H](O)CN(Cc1ccccc1)Cc1ccc(NS(C)(=O)=O)cc1 ZINC000096421172 463252669 /nfs/dbraw/zinc/25/26/69/463252669.db2.gz YKDAMSDOIAGGSR-HNNXBMFYSA-N 0 3 348.468 2.441 40 0 EEABHN O=c1cc(CN2CCC[C@H]2C[C@@H](O)c2ccccc2)[nH]c2ccnn21 ZINC000096443587 463268230 /nfs/dbraw/zinc/26/82/30/463268230.db2.gz VIGFHLLJYSMZJB-DLBZAZTESA-N 0 3 338.411 2.111 40 0 EEABHN CC[C@H](NCc1cccc(NC(=O)CN(C)C)c1)c1cnn(C)c1 ZINC000097228273 463351587 /nfs/dbraw/zinc/35/15/87/463351587.db2.gz YYCUNRGWWKNQFJ-KRWDZBQOSA-N 0 3 329.448 2.161 40 0 EEABHN C[C@H](N)C(=O)N[C@H]1CC[C@H](N(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000100177804 463372349 /nfs/dbraw/zinc/37/23/49/463372349.db2.gz ZICQHSJDOPSOCR-RWMBFGLXSA-N 0 3 325.453 2.161 40 0 EEABHN O=C(NCC1(O)CCCCCC1)c1cnn(CCN2CCCCC2)c1 ZINC000081419208 463435105 /nfs/dbraw/zinc/43/51/05/463435105.db2.gz BKFKZKOXIXGKKI-UHFFFAOYSA-N 0 3 348.491 2.184 40 0 EEABHN N[C@H](C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)C1CCOCC1 ZINC000261753985 463849973 /nfs/dbraw/zinc/84/99/73/463849973.db2.gz LJAWMYHORHCPMY-VIFPVBQESA-N 0 3 348.287 2.084 40 0 EEABHN Cc1ccc(NC(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1 ZINC000224312153 464151753 /nfs/dbraw/zinc/15/17/53/464151753.db2.gz DSYAWZWUVNAMSM-UHFFFAOYSA-N 0 3 340.431 2.205 40 0 EEABHN Cc1nnc2n1C1(CCN(Cc3cccc(F)c3)CC1)CN(C)C2 ZINC000306126240 466489361 /nfs/dbraw/zinc/48/93/61/466489361.db2.gz DQOGHPHBVWLNMU-UHFFFAOYSA-N 0 3 329.423 2.162 40 0 EEABHN Cc1noc(C)c1C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000152987807 684386117 /nfs/dbraw/zinc/38/61/17/684386117.db2.gz HXNJCUJHOPRQBX-UHFFFAOYSA-N 0 3 330.388 2.412 40 0 EEABHN CN1C[C@@H](C(=O)N2CCSCC2)[C@@H]2COc3ccc(F)cc3[C@@H]21 ZINC001772595548 1178863191 /nfs/dbraw/zinc/86/31/91/1178863191.db2.gz FETKZIHIGLMQGQ-YCPHGPKFSA-N 0 3 336.432 2.012 40 0 EEABHN NCC(=O)N1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000072363187 216170231 /nfs/dbraw/zinc/17/02/31/216170231.db2.gz RJKASNZJYVQKNS-LBPRGKRZSA-N 0 3 330.363 2.073 40 0 EEABHN Cc1cc(Nc2cnccn2)nc([C@@H]2CCN(C3CCOCC3)C2)n1 ZINC000072382571 216182840 /nfs/dbraw/zinc/18/28/40/216182840.db2.gz MYQVQWHTJUBUKB-CQSZACIVSA-N 0 3 340.431 2.287 40 0 EEABHN CCN1CCN(C[C@@H](O)CO[C@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000022461372 212298674 /nfs/dbraw/zinc/29/86/74/212298674.db2.gz KVOWRJFVDKLSCJ-MKXGPGLRSA-N 0 3 326.525 2.462 40 0 EEABHN COc1ccc([C@@H](CN)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000020179258 212110039 /nfs/dbraw/zinc/11/00/39/212110039.db2.gz VIWMGCPANBKRQU-MRXNPFEDSA-N 0 3 335.448 2.248 40 0 EEABHN CC(C)[C@@H](N)C(=O)N(C)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079393280 217218692 /nfs/dbraw/zinc/21/86/92/217218692.db2.gz SRXSWOGOAWETGZ-DLBZAZTESA-N 0 3 347.459 2.229 40 0 EEABHN COc1ccc2c(c1)C=C(CN1CCC3(CCCNC3=O)CC1)CO2 ZINC000012227914 211325805 /nfs/dbraw/zinc/32/58/05/211325805.db2.gz XZIRRRZOTNZZPM-UHFFFAOYSA-N 0 3 342.439 2.463 40 0 EEABHN COc1ccccc1CN1CCC(C(=O)N[C@H]2CCCOC2)CC1 ZINC000012194509 211315148 /nfs/dbraw/zinc/31/51/48/211315148.db2.gz CDLGZQIADKBKGL-KRWDZBQOSA-N 0 3 332.444 2.202 40 0 EEABHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)c1ccncc1Cl ZINC000097237861 219003180 /nfs/dbraw/zinc/00/31/80/219003180.db2.gz JHHCJRPEWMHXAP-HNNXBMFYSA-N 0 3 345.830 2.232 40 0 EEABHN CNC(=O)[C@@H](C)CN(C)Cc1cc(Br)cc2c1OCC2 ZINC000097379076 219019799 /nfs/dbraw/zinc/01/97/99/219019799.db2.gz FVJLMOAOEWCVFL-JTQLQIEISA-N 0 3 341.249 2.198 40 0 EEABHN Cn1nc(C2CCN(Cc3ccc(F)cc3)CC2)n(C2CC2)c1=O ZINC000077154186 462943761 /nfs/dbraw/zinc/94/37/61/462943761.db2.gz UXDHJTYQIKSFOT-UHFFFAOYSA-N 0 3 330.407 2.435 40 0 EEABHN Cc1cccc(CO[C@H]2C[C@@H]3CN(Cc4ccoc4)CCN3C2)n1 ZINC000096055071 463156919 /nfs/dbraw/zinc/15/69/19/463156919.db2.gz YAVXUCQFGVCVGC-MOPGFXCFSA-N 0 3 327.428 2.458 40 0 EEABHN Cc1cccc(CN2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)n1 ZINC000096108775 463176749 /nfs/dbraw/zinc/17/67/49/463176749.db2.gz FCZMVUIEDSCTOX-UYAOXDASSA-N 0 3 346.471 2.282 40 0 EEABHN O=C1C[C@@]2(CCN(Cc3ccc(F)cc3)C2)CN1c1cncnc1 ZINC000096239222 463224455 /nfs/dbraw/zinc/22/44/55/463224455.db2.gz GQZRUSWPOKWLPD-GOSISDBHSA-N 0 3 326.375 2.245 40 0 EEABHN c1nc(COc2cccnc2)c2n1CCCN(C[C@H]1CCOC1)C2 ZINC000096259978 463229524 /nfs/dbraw/zinc/22/95/24/463229524.db2.gz FUWGKLDNGYJEGA-OAHLLOKOSA-N 0 3 328.416 2.099 40 0 EEABHN CN1CCN(CCCCNc2ncnc3cc(F)c(F)cc32)CC1 ZINC000096426894 463255865 /nfs/dbraw/zinc/25/58/65/463255865.db2.gz JLWBHWXKPPNCBW-UHFFFAOYSA-N 0 3 335.402 2.348 40 0 EEABHN CC(C)=CC(=O)NCc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000096431244 463260160 /nfs/dbraw/zinc/26/01/60/463260160.db2.gz GJUYJLFLZYKTQX-GOSISDBHSA-N 0 3 343.471 2.435 40 0 EEABHN C[NH+](C)C[C@H]1CCN(C(=O)c2cc([O-])cc(OCC(F)(F)F)c2)C1 ZINC000096501436 463291691 /nfs/dbraw/zinc/29/16/91/463291691.db2.gz SVZWBJMYVHACTJ-LLVKDONJSA-N 0 3 346.349 2.357 40 0 EEABHN CN(C)c1ccnc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)c1 ZINC000097104061 463325559 /nfs/dbraw/zinc/32/55/59/463325559.db2.gz LOHKKPFWHLHFPY-UHFFFAOYSA-N 0 3 342.443 2.477 40 0 EEABHN COc1ccc(CN2CC[C@@]3(C[C@@H](Nc4cnccn4)CO3)C2)cc1 ZINC000107226446 463562694 /nfs/dbraw/zinc/56/26/94/463562694.db2.gz KMMAAZBJHUNIJR-VQIMIIECSA-N 0 3 340.427 2.331 40 0 EEABHN CN(C)Cc1ccc([C@H]2CCCN2C(=O)CCCn2ccnc2)nc1 ZINC000257296805 463767539 /nfs/dbraw/zinc/76/75/39/463767539.db2.gz RELZXJPIWCMBRK-GOSISDBHSA-N 0 3 341.459 2.484 40 0 EEABHN COC(=O)C1(CNCc2cc(F)cc3cccnc32)CCOCC1 ZINC000195560541 464075677 /nfs/dbraw/zinc/07/56/77/464075677.db2.gz QELVSZWHBKTYCP-UHFFFAOYSA-N 0 3 332.375 2.433 40 0 EEABHN NC(=O)[C@H]1CCCN1C1CCN(c2ccnc3c(F)cccc23)CC1 ZINC000195578647 464080190 /nfs/dbraw/zinc/08/01/90/464080190.db2.gz XUVVEPWTFVAFTR-QGZVFWFLSA-N 0 3 342.418 2.292 40 0 EEABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)[C@]2(CN)CO)cc1 ZINC000242592446 464457406 /nfs/dbraw/zinc/45/74/06/464457406.db2.gz OUXRPUDVMCRVIM-KSZLIROESA-N 0 3 349.427 2.011 40 0 EEABHN CC(C)N(C(=O)[C@H](C)N)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000242687543 464458499 /nfs/dbraw/zinc/45/84/99/464458499.db2.gz UMJWFILEJZYTMM-IHRRRGAJSA-N 0 3 327.469 2.407 40 0 EEABHN O=C(NC[C@@H]1CO[C@@H]2CN(Cc3cccs3)C[C@H]12)c1ccncc1 ZINC000247450434 464680423 /nfs/dbraw/zinc/68/04/23/464680423.db2.gz ZNUNXLCBXNMBAY-DJIMGWMZSA-N 0 3 343.452 2.020 40 0 EEABHN CN(C)CCOC[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccc(F)cc1 ZINC000248065006 464728251 /nfs/dbraw/zinc/72/82/51/464728251.db2.gz ZRIRAWQRHWOJEO-WDSOQIARSA-N 0 3 336.451 2.383 40 0 EEABHN CC(C(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl)S(C)(=O)=O ZINC000330781212 465801683 /nfs/dbraw/zinc/80/16/83/465801683.db2.gz FKJBTWACKOKINF-WDEREUQCSA-N 0 3 347.839 2.446 40 0 EEABHN CCOC[C@H]1CCN(CC2CC2)C2(CN(c3ncc(F)cn3)C2)C1 ZINC000306127234 466488299 /nfs/dbraw/zinc/48/82/99/466488299.db2.gz FSQSLKDDGGVPTG-HNNXBMFYSA-N 0 3 334.439 2.333 40 0 EEABHN Cc1ccccc1CCC(=O)N1Cc2ccnn2CC[C@H]1CN(C)C ZINC000585096757 468964354 /nfs/dbraw/zinc/96/43/54/468964354.db2.gz CGJQGIUUZYJEEF-SFHVURJKSA-N 0 3 340.471 2.487 40 0 EEABHN CCS(=O)(=O)NCC[C@@H]1Cn2cccc2CN(CC2CCC2)C1 ZINC000585095315 468964796 /nfs/dbraw/zinc/96/47/96/468964796.db2.gz PGHIQQYMUDPVDG-INIZCTEOSA-N 0 3 339.505 2.049 40 0 EEABHN C[C@@H]1NCCO[C@H]1c1ccc(-c2cccc(S(N)(=O)=O)c2)cc1 ZINC000585124237 468983104 /nfs/dbraw/zinc/98/31/04/468983104.db2.gz NFDBHBQDGRVKQR-YVEFUNNKSA-N 0 3 332.425 2.050 40 0 EEABHN CC(=O)N1CCC[C@H](NCc2ccnn2C)[C@@H]1Cc1ccc(C)cc1 ZINC000585286111 469009749 /nfs/dbraw/zinc/00/97/49/469009749.db2.gz NWPNIGNPRPOUMR-PMACEKPBSA-N 0 3 340.471 2.440 40 0 EEABHN CCc1cc(N2CCC(NCc3c(Cl)cnn3C)CC2)ncn1 ZINC000131973861 529530827 /nfs/dbraw/zinc/53/08/27/529530827.db2.gz CLQDNSPMWTZMTR-UHFFFAOYSA-N 0 3 334.855 2.185 40 0 EEABHN C[C@H]1C[C@H](C)CN(CCCNC2=NS(=O)(=O)c3ccccc32)C1 ZINC000040149914 213273741 /nfs/dbraw/zinc/27/37/41/213273741.db2.gz OEENZCBQMLGFFB-KBPBESRZSA-N 0 3 335.473 2.093 40 0 EEABHN Cc1nc2c(c(=O)[n-]1)C[N@H+](C[C@@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC000072347455 216160086 /nfs/dbraw/zinc/16/00/86/216160086.db2.gz DZEXOQSMZLMXCF-LBPRGKRZSA-N 0 3 341.411 2.044 40 0 EEABHN Cc1nc2c(c(=O)[n-]1)C[N@@H+](C[C@@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC000072347455 216160089 /nfs/dbraw/zinc/16/00/89/216160089.db2.gz DZEXOQSMZLMXCF-LBPRGKRZSA-N 0 3 341.411 2.044 40 0 EEABHN Cc1cc(N2CCN(CC3CCN(C(=O)CC(C)C)CC3)CC2)n[nH]1 ZINC000225786651 242033536 /nfs/dbraw/zinc/03/35/36/242033536.db2.gz VMPLZOSYWSMQJZ-UHFFFAOYSA-N 0 3 347.507 2.125 40 0 EEABHN COCC(=O)N(C)C1CCC2(CC1)CN(C)Cc1ccccc1O2 ZINC000019590876 212048502 /nfs/dbraw/zinc/04/85/02/212048502.db2.gz TWHDPPHIRNJHDX-UHFFFAOYSA-N 0 3 332.444 2.297 40 0 EEABHN CC(C)N(C(=O)CN)[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079392975 217218555 /nfs/dbraw/zinc/21/85/55/217218555.db2.gz IEUVSSVHHUKAQW-IRXDYDNUSA-N 0 3 347.459 2.420 40 0 EEABHN COc1ccc(C2(NCC(=O)NCc3ccco3)CCOCC2)cc1 ZINC000095394013 218325665 /nfs/dbraw/zinc/32/56/65/218325665.db2.gz QMERZDKIAUBAEJ-UHFFFAOYSA-N 0 3 344.411 2.200 40 0 EEABHN CCN1CCC[C@H]1CNC(=O)Nc1c[nH]c2ccc(C)cc2c1=O ZINC000004907894 210319232 /nfs/dbraw/zinc/31/92/32/210319232.db2.gz RBJZFFBBYOWCKQ-ZDUSSCGKSA-N 0 3 328.416 2.442 40 0 EEABHN CNc1ccc(-c2noc([C@@H]3CCCN3C3CCN(C)CC3)n2)cn1 ZINC000035426134 277302259 /nfs/dbraw/zinc/30/22/59/277302259.db2.gz MHSLVNMNIWMFSS-HNNXBMFYSA-N 0 3 342.447 2.404 40 0 biogenic,in-vitro EEABHN CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC000079410124 277904811 /nfs/dbraw/zinc/90/48/11/277904811.db2.gz QQZPIXIVQAOUCY-IHRRRGAJSA-N 0 3 327.469 2.264 40 0 EEABHN Cc1ccccc1C(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257326431 281333283 /nfs/dbraw/zinc/33/32/83/281333283.db2.gz WXEGLTBXOMQLMF-KRWDZBQOSA-N 0 3 338.398 2.303 40 0 EEABHN Cc1cc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)nn1C ZINC000097378738 323322057 /nfs/dbraw/zinc/32/20/57/323322057.db2.gz ZJSZJWAELGMIJM-XJKSGUPXSA-N 0 3 327.432 2.371 40 0 EEABHN CN1CCC(O)(OC(=O)[C@H](c2ccccc2)C2(O)CCCC2)CC1 ZINC000001640704 462585051 /nfs/dbraw/zinc/58/50/51/462585051.db2.gz WHZKZJOSELYKPT-INIZCTEOSA-N 0 3 333.428 2.033 40 0 EEABHN COC(=O)C1CCN(C(=O)c2ccc(CN3CCCC3)cc2)CC1 ZINC000013671664 462898522 /nfs/dbraw/zinc/89/85/22/462898522.db2.gz AKPSKSKRYONSJU-UHFFFAOYSA-N 0 3 330.428 2.308 40 0 EEABHN CC(C)C(=O)N1CCC(c2nc3c(c(=O)[nH]2)CCN(C(C)C)C3)CC1 ZINC000019085362 463014075 /nfs/dbraw/zinc/01/40/75/463014075.db2.gz TXCPBNJLLVWYEY-UHFFFAOYSA-N 0 3 346.475 2.311 40 0 EEABHN Cc1cc2nc([C@@H]3CCCN(Cc4cnn(C)c4C)C3)cc(N)n2n1 ZINC000019129399 463014920 /nfs/dbraw/zinc/01/49/20/463014920.db2.gz ORVCCFQUCWDXDU-CQSZACIVSA-N 0 3 339.447 2.041 40 0 EEABHN C[C@@H](CNC(=O)c1cnc(N2CCCCC2)nc1)N1CCC(C)CC1 ZINC000019496792 463017982 /nfs/dbraw/zinc/01/79/82/463017982.db2.gz SRPANXLRVBTYPH-INIZCTEOSA-N 0 3 345.491 2.317 40 0 EEABHN CC(C)c1cc(C(=O)N2CCC[C@@H]2c2cc(CN(C)C)n(C)n2)n[nH]1 ZINC000019709087 463021266 /nfs/dbraw/zinc/02/12/66/463021266.db2.gz LGYIUPIOQRPIPL-QGZVFWFLSA-N 0 3 344.463 2.306 40 0 EEABHN CN1CCC[C@H](N2CCN(c3ncnc4cc(F)c(F)cc43)CC2)C1 ZINC000078262979 463097032 /nfs/dbraw/zinc/09/70/32/463097032.db2.gz CINDHMSRVVGZDS-ZDUSSCGKSA-N 0 3 347.413 2.124 40 0 EEABHN COc1ccc([C@@H](N)c2nc(CNc3cccc(OC)c3)n[nH]2)cc1 ZINC000095533695 463106627 /nfs/dbraw/zinc/10/66/27/463106627.db2.gz GVRCWORNNLOXLV-QGZVFWFLSA-N 0 3 339.399 2.482 40 0 EEABHN Cc1noc(C)c1CN1C[C@]2(CCN(Cc3ccccn3)C2)CC1=O ZINC000096050953 463154855 /nfs/dbraw/zinc/15/48/55/463154855.db2.gz PFBJYFPLHKCIDL-LJQANCHMSA-N 0 3 340.427 2.311 40 0 EEABHN COc1ccc(CN2CCOC[C@]3(CC[C@@H](CN(C)C)O3)C2)cc1 ZINC000096052291 463156509 /nfs/dbraw/zinc/15/65/09/463156509.db2.gz XZPJVHXPMILBAX-OALUTQOASA-N 0 3 334.460 2.007 40 0 EEABHN Cn1cccc1C(=O)NC[C@H]1C[C@@H]2CN(Cc3ccsc3)C[C@@H]2O1 ZINC000096056664 463157894 /nfs/dbraw/zinc/15/78/94/463157894.db2.gz IMZGKYFACYZJKO-INMHGKMJSA-N 0 3 345.468 2.106 40 0 EEABHN COc1ccc(CN2CCO[C@@H]3[C@H](COCCN(C)C)CC[C@@H]32)cc1 ZINC000096055214 463158817 /nfs/dbraw/zinc/15/88/17/463158817.db2.gz QQGYWMKDZYYSIZ-YSIASYRMSA-N 0 3 348.487 2.253 40 0 EEABHN Cc1ccc(O[C@@H]2C[C@H]3CN(Cc4nccn4C)CCN3C2)cc1 ZINC000096183512 463196148 /nfs/dbraw/zinc/19/61/48/463196148.db2.gz YRVMRNYLTNICIM-FUHWJXTLSA-N 0 3 326.444 2.066 40 0 EEABHN O=C1N(c2cccnc2)CC[C@]12CCCN(CC1CCOCC1)C2 ZINC000096224502 463219504 /nfs/dbraw/zinc/21/95/04/463219504.db2.gz CDJYOEUBFLWQJN-IBGZPJMESA-N 0 3 329.444 2.327 40 0 EEABHN COc1ccc(CN2CCC3(CC2)C(=O)NCCN3CC(C)C)cc1 ZINC000096230173 463223542 /nfs/dbraw/zinc/22/35/42/463223542.db2.gz IJBBWZZHBSOCIS-UHFFFAOYSA-N 0 3 345.487 2.118 40 0 EEABHN CC1=N[C@@]2(CC[C@@H]3CN(Cc4cccnc4)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261466 463231285 /nfs/dbraw/zinc/23/12/85/463231285.db2.gz GUUXOTDJUNXLLJ-WSTZPKSXSA-N 0 3 338.455 2.333 40 0 EEABHN COCCN1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000096413258 463245767 /nfs/dbraw/zinc/24/57/67/463245767.db2.gz JQUPKMHMWFQWSW-SWLSCSKDSA-N 0 3 325.840 2.421 40 0 EEABHN CC[C@@H](NC(=O)N[C@@H]1CCN(CCOC)C1)c1ccc(F)cc1F ZINC000096415563 463248132 /nfs/dbraw/zinc/24/81/32/463248132.db2.gz ZBDVPTFQVXEGGQ-CZUORRHYSA-N 0 3 341.402 2.436 40 0 EEABHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1cnn(C)c1 ZINC000096419875 463252106 /nfs/dbraw/zinc/25/21/06/463252106.db2.gz ZUQFWEGTADMPTE-MRXNPFEDSA-N 0 3 341.459 2.226 40 0 EEABHN C[NH+](C)C[C@@H]1CCN(C(=O)c2cc([O-])cc(OCC(F)(F)F)c2)C1 ZINC000096501435 463291039 /nfs/dbraw/zinc/29/10/39/463291039.db2.gz SVZWBJMYVHACTJ-NSHDSACASA-N 0 3 346.349 2.357 40 0 EEABHN CN1CCC(NC(=O)c2ccccc2I)CC1 ZINC000042210120 463550932 /nfs/dbraw/zinc/55/09/32/463550932.db2.gz JXCOZRGNQDCFJI-UHFFFAOYSA-N 0 3 344.196 2.115 40 0 EEABHN Cc1cc(N)cc([C@@H]2CN(C(=O)c3n[nH]c4ccccc43)CCO2)n1 ZINC000257273627 463758411 /nfs/dbraw/zinc/75/84/11/463758411.db2.gz NHMMDZUYQAAYHV-INIZCTEOSA-N 0 3 337.383 2.062 40 0 EEABHN CCC[C@@H](N)C(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000225521228 464167412 /nfs/dbraw/zinc/16/74/12/464167412.db2.gz PUDVAHUYDNUDLR-CYBMUJFWSA-N 0 3 344.381 2.267 40 0 EEABHN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000247827154 464708953 /nfs/dbraw/zinc/70/89/53/464708953.db2.gz JKLSRQQVGYLCRJ-HDEZJCGLSA-N 0 3 326.444 2.222 40 0 EEABHN CN1CC[C@@H](COc2ccccn2)CC12CN(Cc1ccncc1)C2 ZINC000248130473 464732578 /nfs/dbraw/zinc/73/25/78/464732578.db2.gz MZGAORZCELOYSP-GOSISDBHSA-N 0 3 338.455 2.452 40 0 EEABHN Cc1cncc(C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000253431112 465013297 /nfs/dbraw/zinc/01/32/97/465013297.db2.gz GKJSRNKJVUDPSC-FQEVSTJZSA-N 0 3 339.439 2.099 40 0 EEABHN COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)CC1 ZINC000253431607 465014532 /nfs/dbraw/zinc/01/45/32/465014532.db2.gz HRJSAWHXWSCSBC-XLAORIBOSA-N 0 3 344.455 2.180 40 0 EEABHN OCCOc1cccc(CN2CC[C@](O)(COc3ccccc3)C2)c1 ZINC000585273428 468998898 /nfs/dbraw/zinc/99/88/98/468998898.db2.gz VMNXOQGOLUWKRM-HXUWFJFHSA-N 0 3 343.423 2.074 40 0 EEABHN O[C@H](CNCc1ccccc1N1CCOCC1)c1cccc(F)c1 ZINC000066989780 215101091 /nfs/dbraw/zinc/10/10/91/215101091.db2.gz LEUGFQVLADQDQX-LJQANCHMSA-N 0 3 330.403 2.486 40 0 EEABHN O=C(Cc1ccccc1F)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019348125 202005504 /nfs/dbraw/zinc/00/55/04/202005504.db2.gz HUVSGEYGDYLAQM-QGZVFWFLSA-N 0 3 340.402 2.168 40 0 EEABHN CCN(C(=O)Cn1c(=O)cc(C)c2ccccc21)C1CCN(C)CC1 ZINC000019657068 202014583 /nfs/dbraw/zinc/01/45/83/202014583.db2.gz CLILZBTZQLCQGT-UHFFFAOYSA-N 0 3 341.455 2.253 40 0 EEABHN COCc1cc(=O)[n-]c([C@@H]2CCC[N@H+](Cc3ccc(OC)cc3)C2)n1 ZINC000019594311 202015208 /nfs/dbraw/zinc/01/52/08/202015208.db2.gz DKORPRCSCYMZNI-OAHLLOKOSA-N 0 3 343.427 2.305 40 0 EEABHN COCc1cc(=O)[n-]c([C@@H]2CCC[N@@H+](Cc3ccc(OC)cc3)C2)n1 ZINC000019594311 202015211 /nfs/dbraw/zinc/01/52/11/202015211.db2.gz DKORPRCSCYMZNI-OAHLLOKOSA-N 0 3 343.427 2.305 40 0 EEABHN O=C([C@@H]1CCCN1C1CCOCC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000253432268 296018268 /nfs/dbraw/zinc/01/82/68/296018268.db2.gz XNZNGDJECMQYHB-OCCSQVGLSA-N 0 3 334.382 2.431 40 0 EEABHN O=C(NCCCN1CCc2ccccc2C1)N[C@H]1CCCC[C@@H]1O ZINC000190214736 238303005 /nfs/dbraw/zinc/30/30/05/238303005.db2.gz XXRIVNODLAGWQR-ROUUACIJSA-N 0 3 331.460 2.038 40 0 EEABHN Cc1nc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)no1 ZINC000245339507 201151963 /nfs/dbraw/zinc/15/19/63/201151963.db2.gz UAXFYEIYRAVNJD-CZUORRHYSA-N 0 3 343.431 2.088 40 0 EEABHN N[C@H](Cc1ccccc1)C(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000195542498 240994715 /nfs/dbraw/zinc/99/47/15/240994715.db2.gz ZANPSWSFAQTTPZ-RBUKOAKNSA-N 0 3 346.471 2.133 40 0 EEABHN COc1ccc(OC)c([C@H](C)NC(=O)NCC2=CCN(C)CC2)c1 ZINC000242273641 243014728 /nfs/dbraw/zinc/01/47/28/243014728.db2.gz YEPUWLPAQNSFRW-ZDUSSCGKSA-N 0 3 333.432 2.326 40 0 EEABHN c1cc2n(n1)C[C@H](OCc1cccnc1)CN(CC1CCOCC1)C2 ZINC000253588493 244025842 /nfs/dbraw/zinc/02/58/42/244025842.db2.gz FKWYFTTYHBEJKT-LJQANCHMSA-N 0 3 342.443 2.106 40 0 EEABHN O=C(Nc1ccn(Cc2ccccn2)n1)N1CC[C@H](N2CCCC2)C1 ZINC000096435052 218812674 /nfs/dbraw/zinc/81/26/74/218812674.db2.gz MUXNUILGQXHDOR-INIZCTEOSA-N 0 3 340.431 2.028 40 0 EEABHN C[C@@H]1CCC[C@@H](NCc2nnc3n2c2ccccc2c(=O)n3C)[C@H]1C ZINC000245237095 274294764 /nfs/dbraw/zinc/29/47/64/274294764.db2.gz FOCZMTFHIOYUIY-VNHYZAJKSA-N 0 3 339.443 2.496 40 0 EEABHN Cc1nc(C)c(C(=O)N2Cc3ccccc3OC[C@H]2CN(C)C)o1 ZINC000012366142 462851774 /nfs/dbraw/zinc/85/17/74/462851774.db2.gz VEXSFBVQSYQQSJ-OAHLLOKOSA-N 0 3 329.400 2.256 40 0 EEABHN Cc1cc2nc([C@@H]3CCCN(Cc4cn(C)nc4C)C3)cc(N)n2n1 ZINC000019129367 463013681 /nfs/dbraw/zinc/01/36/81/463013681.db2.gz HLAYDFQAIFUEDY-CQSZACIVSA-N 0 3 339.447 2.041 40 0 EEABHN Cn1cc(CN2CCC[C@@]3(CCN(Cc4cccnc4)C3)C2)cn1 ZINC000096046994 463150344 /nfs/dbraw/zinc/15/03/44/463150344.db2.gz IXYOJLFKNKBMCE-LJQANCHMSA-N 0 3 325.460 2.303 40 0 EEABHN Cc1cccc(CO[C@@H]2C[C@H]3CN(Cc4ccoc4)CCN3C2)n1 ZINC000096055072 463156766 /nfs/dbraw/zinc/15/67/66/463156766.db2.gz YAVXUCQFGVCVGC-RBUKOAKNSA-N 0 3 327.428 2.458 40 0 EEABHN O=C1NC(c2ccccc2)=N[C@@]12CC[C@@H]1CN(Cc3ccoc3)C[C@@H]12 ZINC000096061745 463160991 /nfs/dbraw/zinc/16/09/91/463160991.db2.gz HTEYGWSWJNBHJZ-FUHIMQAGSA-N 0 3 335.407 2.437 40 0 EEABHN c1cncc(CN2CCC3(CC2)CN(Cc2cccnc2)CCO3)c1 ZINC000096158796 463188883 /nfs/dbraw/zinc/18/88/83/463188883.db2.gz ABSNOBMNZABABH-UHFFFAOYSA-N 0 3 338.455 2.344 40 0 EEABHN c1csc(CN2CCC3(CC2)CN(c2ncccn2)CCO3)c1 ZINC000096159013 463190648 /nfs/dbraw/zinc/19/06/48/463190648.db2.gz ZNHVFQUGXVOQIQ-UHFFFAOYSA-N 0 3 330.457 2.410 40 0 EEABHN COCCN1CC2(CCN(Cc3ccccc3)CC2)[C@@H](COC)C1=O ZINC000096206432 463209011 /nfs/dbraw/zinc/20/90/11/463209011.db2.gz HSAGECCDAFYFBO-SFHVURJKSA-N 0 3 346.471 2.020 40 0 EEABHN CC(C)N(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)[C@H](C)N ZINC000079391298 463210234 /nfs/dbraw/zinc/21/02/34/463210234.db2.gz PVFWFAOPEOQIMS-UONOGXRCSA-N 0 3 327.469 2.360 40 0 EEABHN NCC(=O)N(C[C@H]1CCCCN1C(=O)OCc1ccccc1)C1CC1 ZINC000079392998 463211039 /nfs/dbraw/zinc/21/10/39/463211039.db2.gz RLFDBSPIJWHLAL-QGZVFWFLSA-N 0 3 345.443 2.127 40 0 EEABHN O=C(C[C@@H]1CO[C@@H]2CN(CCc3ccccc3)C[C@H]12)N1CCCCO1 ZINC000096215553 463213913 /nfs/dbraw/zinc/21/39/13/463213913.db2.gz YOLRLIQVRCDRHZ-GUDVDZBRSA-N 0 3 344.455 2.120 40 0 EEABHN O=C(C[C@H]1C[C@H]2CN(Cc3cccs3)C[C@H]2O1)N1CCCCO1 ZINC000096220743 463217944 /nfs/dbraw/zinc/21/79/44/463217944.db2.gz DBNDSXANKHUSEO-SQWLQELKSA-N 0 3 336.457 2.282 40 0 EEABHN O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccn[nH]1 ZINC000096411894 463245328 /nfs/dbraw/zinc/24/53/28/463245328.db2.gz PDCUTTWSLGTEDS-UHFFFAOYSA-N 0 3 348.834 2.336 40 0 EEABHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1cnn(C)c1 ZINC000096419876 463252034 /nfs/dbraw/zinc/25/20/34/463252034.db2.gz ZUQFWEGTADMPTE-INIZCTEOSA-N 0 3 341.459 2.226 40 0 EEABHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cccnc1 ZINC000096433520 463262564 /nfs/dbraw/zinc/26/25/64/463262564.db2.gz XYHGYKZRNOCGGU-KRWDZBQOSA-N 0 3 345.468 2.224 40 0 EEABHN C[C@@H]1C[C@H](NC(=O)NCc2nccn2C)CCN1Cc1ccccc1 ZINC000080114155 463283815 /nfs/dbraw/zinc/28/38/15/463283815.db2.gz MSWFHTKQORVWDB-NVXWUHKLSA-N 0 3 341.459 2.272 40 0 EEABHN CCNC(=O)N1CC[C@@H](N[C@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000096490335 463286478 /nfs/dbraw/zinc/28/64/78/463286478.db2.gz IUJULEMPNGOJFJ-CRAIPNDOSA-N 0 3 341.459 2.386 40 0 EEABHN Cc1cccn2cc(CCN[C@H]3CCCC[C@H]3S(C)(=O)=O)nc12 ZINC000096491686 463287303 /nfs/dbraw/zinc/28/73/03/463287303.db2.gz AYSWSKFUXZGFIL-JKSUJKDBSA-N 0 3 335.473 2.131 40 0 EEABHN CC(C)(CN[C@H]1CCN(c2cccc(Cl)c2)C1)S(C)(=O)=O ZINC000096494387 463288182 /nfs/dbraw/zinc/28/81/82/463288182.db2.gz CRCBHTBAVAHSRA-ZDUSSCGKSA-N 0 3 330.881 2.332 40 0 EEABHN Cc1ccc2c(c1)CN(C(=O)c1cccnc1)[C@@H](CN(C)C)CO2 ZINC000072395239 463509436 /nfs/dbraw/zinc/50/94/36/463509436.db2.gz MREQOVBRJXQHIH-KRWDZBQOSA-N 0 3 325.412 2.355 40 0 EEABHN CC(C)[C@H](N)C(=O)NC1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000083318436 463543591 /nfs/dbraw/zinc/54/35/91/463543591.db2.gz KXKOVSZCDFQOAD-JCYILVPMSA-N 0 3 347.459 2.324 40 0 EEABHN CSC[C@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000073909383 463669390 /nfs/dbraw/zinc/66/93/90/463669390.db2.gz CDXYVUMKGIISTR-KRWDZBQOSA-N 0 3 347.528 2.410 40 0 EEABHN COCCN1CCC[C@H](Cc2cnc(-c3c(C)nn(C)c3C)cn2)C1 ZINC000257303612 463770991 /nfs/dbraw/zinc/77/09/91/463770991.db2.gz SHXTVPMHQXUOTF-MRXNPFEDSA-N 0 3 343.475 2.395 40 0 EEABHN COCCN1C(=O)CCC[C@H]2CN(Cc3scnc3C)CC[C@H]21 ZINC000257319043 463775805 /nfs/dbraw/zinc/77/58/05/463775805.db2.gz VQKTXMNGUONUSV-LSDHHAIUSA-N 0 3 337.489 2.301 40 0 EEABHN COCc1nc2n(n1)C[C@@H](N[C@H]1CCCOc3cc(F)ccc31)CC2 ZINC000182151394 464584286 /nfs/dbraw/zinc/58/42/86/464584286.db2.gz JIMJYIDSMLTCPB-ZFWWWQNUSA-N 0 3 346.406 2.382 40 0 EEABHN O=C(Cc1cccc(F)c1)N1Cc2cncn2[C@@H](CN2CCCC2)C1 ZINC000247882627 464712534 /nfs/dbraw/zinc/71/25/34/464712534.db2.gz WESBZULWEBIVTE-SFHVURJKSA-N 0 3 342.418 2.244 40 0 EEABHN COc1cccc(CNC(=O)CN(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1 ZINC000247913545 464713738 /nfs/dbraw/zinc/71/37/38/464713738.db2.gz VOFVFDBSTNGQAG-CGTJXYLNSA-N 0 3 332.444 2.057 40 0 EEABHN Cn1cc(N2CC[C@H](N[C@H]3CCC[C@@H](C(F)(F)F)C3)C2=O)cn1 ZINC000249199327 464851454 /nfs/dbraw/zinc/85/14/54/464851454.db2.gz SJKJQJUSMXCMHW-MDZLAQPJSA-N 0 3 330.354 2.236 40 0 EEABHN Cc1cc(C(=O)N2Cc3ncn(C)c3C[C@H]2CN2CCCC2)c(C)o1 ZINC000585094989 468964626 /nfs/dbraw/zinc/96/46/26/468964626.db2.gz YNNLDQIDTAXFLL-HNNXBMFYSA-N 0 3 342.443 2.293 40 0 EEABHN CN(C)C/C=C/C(=O)N1CCC[C@H](O)[C@@H]1Cc1ccc(Cl)cc1 ZINC000585289345 469012310 /nfs/dbraw/zinc/01/23/10/469012310.db2.gz IHKRWCGIPHKDCC-XQTSXYSPSA-N 0 3 336.863 2.352 40 0 EEABHN CC(C)CCN1CC2(C1)CN(Cc1ccccc1)C[C@@H]1COCCN12 ZINC000604381677 469474779 /nfs/dbraw/zinc/47/47/79/469474779.db2.gz KYHFEOHNPBFNDA-HXUWFJFHSA-N 0 3 343.515 2.304 40 0 biogenic,in-vitro EEABHN O=C(CC1CCCC1)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019292297 202002820 /nfs/dbraw/zinc/00/28/20/202002820.db2.gz WWWKTBRVFPCMBK-OAHLLOKOSA-N 0 3 328.460 2.409 40 0 EEABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cccn1Cc1ccccc1F ZINC000019575973 202014228 /nfs/dbraw/zinc/01/42/28/202014228.db2.gz OYBPYFPAOSPGRN-ZYSHUDEJSA-N 0 3 343.446 2.315 40 0 EEABHN Cc1ncc(CNC(=O)CCN2CCN(c3ccccc3)CC2)s1 ZINC000073053150 202369204 /nfs/dbraw/zinc/36/92/04/202369204.db2.gz XTGQOXDSNGIOEX-UHFFFAOYSA-N 0 3 344.484 2.280 40 0 EEABHN C[C@H](CNC(=O)Nc1cccc(Cl)c1F)CN1CCN(C)CC1 ZINC000076332166 202388145 /nfs/dbraw/zinc/38/81/45/202388145.db2.gz MKNNZLUICBRVHM-GFCCVEGCSA-N 0 3 342.846 2.484 40 0 EEABHN COCCCn1ccc(NC(=O)NC[C@H](C)N2CCC[C@H](C)C2)n1 ZINC000077513034 202392882 /nfs/dbraw/zinc/39/28/82/202392882.db2.gz SRLJKPHIUUJOIM-GJZGRUSLSA-N 0 3 337.468 2.162 40 0 EEABHN CCOC[C@]1(CN)[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)CC ZINC000218517470 241328372 /nfs/dbraw/zinc/32/83/72/241328372.db2.gz LAWYZEKVYYRCQP-YESZJQIVSA-N 0 3 325.474 2.131 40 0 EEABHN CN1CCC[C@]1(CCCc1cccc(Br)n1)C(N)=O ZINC000257197509 244115586 /nfs/dbraw/zinc/11/55/86/244115586.db2.gz BJXBJYVSCYTNFH-CQSZACIVSA-N 0 3 326.238 2.117 40 0 EEABHN CC(C)C(=O)N[C@H]1CCN(Cc2ccc3ncccc3c2)CC[C@@H]1O ZINC000257266984 244363143 /nfs/dbraw/zinc/36/31/43/244363143.db2.gz MFKGXKSCASNVFB-OALUTQOASA-N 0 3 341.455 2.332 40 0 EEABHN Cc1nc(CN2CC[C@]3(CCC[C@@H]3C(=O)N3CC(F)(F)C3)C2)c[nH]1 ZINC000108525796 204265717 /nfs/dbraw/zinc/26/57/17/204265717.db2.gz VBQYDGILRROJHV-GDBMZVCRSA-N 0 3 338.402 2.188 40 0 EEABHN Cc1ncc(CN2CC[C@]3(CCC[C@@H]3C(=O)N3CC(F)(F)C3)C2)[nH]1 ZINC000108525796 204265720 /nfs/dbraw/zinc/26/57/20/204265720.db2.gz VBQYDGILRROJHV-GDBMZVCRSA-N 0 3 338.402 2.188 40 0 EEABHN COCCN1CC[C@@]2(CCCN(Cc3ncccc3C)CC2)C1=O ZINC000108525790 204266314 /nfs/dbraw/zinc/26/63/14/204266314.db2.gz OIGGGZRMUZGYBW-IBGZPJMESA-N 0 3 331.460 2.241 40 0 EEABHN Cn1nncc1CNC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447473 218391605 /nfs/dbraw/zinc/39/16/05/218391605.db2.gz XOPYNWXSWRWJJP-BLLLJJGKSA-N 0 3 337.830 2.390 40 0 EEABHN CCN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[C@@H](N)C(C)C ZINC000079391441 285022617 /nfs/dbraw/zinc/02/26/17/285022617.db2.gz UHIVOVPQZXQUMK-GJZGRUSLSA-N 0 3 341.496 2.465 40 0 EEABHN CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)CO)cc1 ZINC000218457171 276671751 /nfs/dbraw/zinc/67/17/51/276671751.db2.gz CYINEGSJVUKCIV-QYZOEREBSA-N 0 3 345.464 2.126 40 0 EEABHN CNC(=O)c1cnn2c1nccc2[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000257280317 277261751 /nfs/dbraw/zinc/26/17/51/277261751.db2.gz OKJNURPLQMNTNG-MRXNPFEDSA-N 0 3 349.438 2.469 40 0 EEABHN Cc1cc(=O)c(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)c[nH]1 ZINC000153806396 323330828 /nfs/dbraw/zinc/33/08/28/323330828.db2.gz UNMVEGFYDPKBJS-HXUWFJFHSA-N 0 3 339.439 2.468 40 0 EEABHN O=C(NCC1CCN(c2ccncc2)CC1)[C@H](O)c1ccccc1 ZINC000089393395 462674646 /nfs/dbraw/zinc/67/46/46/462674646.db2.gz LPBIDCGGYAKCCV-GOSISDBHSA-N 0 3 325.412 2.148 40 0 EEABHN Cc1ccc(CC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1 ZINC000019209847 463015295 /nfs/dbraw/zinc/01/52/95/463015295.db2.gz CDEMWVMNBYPZGG-SFHVURJKSA-N 0 3 336.439 2.337 40 0 EEABHN Cc1ccc(C[N@@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)s1 ZINC000019217247 463015991 /nfs/dbraw/zinc/01/59/91/463015991.db2.gz UFTUVEZHFGQRIL-UHFFFAOYSA-N 0 3 344.484 2.341 40 0 EEABHN Cc1ccc(C[N@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)s1 ZINC000019217247 463015998 /nfs/dbraw/zinc/01/59/98/463015998.db2.gz UFTUVEZHFGQRIL-UHFFFAOYSA-N 0 3 344.484 2.341 40 0 EEABHN O=C(NCC1CC1)[C@H]1CN(CCc2ccccc2)C[C@H]2OCC[C@H]21 ZINC000096041124 463145651 /nfs/dbraw/zinc/14/56/51/463145651.db2.gz GOTFSZCIAZLOOC-GBESFXJTSA-N 0 3 328.456 2.092 40 0 EEABHN O=C([C@@H]1CCC2(CCN(Cc3cccnc3)CC2)O1)N1CCCC1 ZINC000096061243 463160859 /nfs/dbraw/zinc/16/08/59/463160859.db2.gz RBYLANQFUOWBON-KRWDZBQOSA-N 0 3 329.444 2.218 40 0 EEABHN Cc1ccc(CN2CC[C@@H]3[C@@H](CO[C@H]3CNc3ncccn3)C2)o1 ZINC000096185370 463197315 /nfs/dbraw/zinc/19/73/15/463197315.db2.gz MATSFSOSLAYBSY-OIISXLGYSA-N 0 3 328.416 2.327 40 0 EEABHN Cc1ccc(CN2CCC3(CC2)NC(=O)C[C@@H]3c2cnn(C)c2)s1 ZINC000096199768 463205403 /nfs/dbraw/zinc/20/54/03/463205403.db2.gz LUBWNVLGQCDPGU-MRXNPFEDSA-N 0 3 344.484 2.428 40 0 EEABHN O=C(NC1CC1)N1CCOC[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096202196 463207410 /nfs/dbraw/zinc/20/74/10/463207410.db2.gz ZTJLSNXVHXIBIU-KRWDZBQOSA-N 0 3 335.473 2.144 40 0 EEABHN NCC(=O)N1CCCC[C@H]1CN(C(=O)OCc1ccccc1)C1CC1 ZINC000079412590 463212381 /nfs/dbraw/zinc/21/23/81/463212381.db2.gz HSCFMBFRWWORLG-KRWDZBQOSA-N 0 3 345.443 2.127 40 0 EEABHN CC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O ZINC000028375852 463224705 /nfs/dbraw/zinc/22/47/05/463224705.db2.gz KDGCKJMHEOFLDM-UHFFFAOYSA-N 0 3 329.375 2.088 40 0 EEABHN C[C@@H](C(=O)NCCCc1nnc2n1CCCCC2)N1CCCCCC1 ZINC000096436316 463263879 /nfs/dbraw/zinc/26/38/79/463263879.db2.gz LYVGRFFMXMNQFK-INIZCTEOSA-N 0 3 347.507 2.318 40 0 EEABHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000096476001 463280246 /nfs/dbraw/zinc/28/02/46/463280246.db2.gz ANDHVPAPSQMAGP-YOEHRIQHSA-N 0 3 342.447 2.130 40 0 EEABHN C[C@H](NC[C@](C)(O)c1cnn(C)c1)c1ccc(N2CCCC2=O)cc1 ZINC000096478313 463281779 /nfs/dbraw/zinc/28/17/79/463281779.db2.gz BZRANVVVFBOBKZ-LIRRHRJNSA-N 0 3 342.443 2.105 40 0 EEABHN COc1ccc(CN2CCOC[C@@H](Cc3cc(C)ncn3)C2)cc1 ZINC000257296347 463767714 /nfs/dbraw/zinc/76/77/14/463767714.db2.gz RCJPXTBHPSFTBW-KRWDZBQOSA-N 0 3 327.428 2.485 40 0 EEABHN O=C(c1ccc(F)cc1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257336584 463784295 /nfs/dbraw/zinc/78/42/95/463784295.db2.gz YPBRMCTYEXNMAG-INIZCTEOSA-N 0 3 342.361 2.134 40 0 EEABHN CN(C)Cc1cccc(-c2cccnc2C(=O)NCc2ccnn2C)c1 ZINC000257343097 463787132 /nfs/dbraw/zinc/78/71/32/463787132.db2.gz ZRMGDEBLDCROSB-UHFFFAOYSA-N 0 3 349.438 2.474 40 0 EEABHN OCCN1CCC[C@@H](Cc2ccc(NCc3ccccc3)nn2)C1 ZINC000257342236 463787660 /nfs/dbraw/zinc/78/76/60/463787660.db2.gz ZNSCNHTXJXQFEJ-KRWDZBQOSA-N 0 3 326.444 2.336 40 0 EEABHN C[C@@H]1CN(CCCCNC(=O)[C@H]2COc3ccccc32)C[C@@H](C)O1 ZINC000195537298 464073036 /nfs/dbraw/zinc/07/30/36/464073036.db2.gz DZILEJXSXNEGTM-INMHGKMJSA-N 0 3 332.444 2.168 40 0 EEABHN CNc1nc(C)cc(C(=O)N(CCN(C)C)Cc2cccc(F)c2)n1 ZINC000225557669 464172731 /nfs/dbraw/zinc/17/27/31/464172731.db2.gz IXKZFZDHVMJNDY-UHFFFAOYSA-N 0 3 345.422 2.170 40 0 EEABHN O[C@H](COc1ccccc1)CN1CCCN(c2cncc(F)c2)CC1 ZINC000253393953 464999023 /nfs/dbraw/zinc/99/90/23/464999023.db2.gz IJQBGONPQZQBJF-SFHVURJKSA-N 0 3 345.418 2.173 40 0 EEABHN Cc1ccsc1CN1CCN(C2=NO[C@@H]3CN(C(C)C)C[C@@H]23)CC1 ZINC000306129345 466490017 /nfs/dbraw/zinc/49/00/17/466490017.db2.gz IBASQDVAOJDOPD-HZPDHXFCSA-N 0 3 348.516 2.227 40 0 EEABHN CCOC(=O)[C@@]12CN(C)C[C@@H]1CN(C(=O)c1ccccc1C)CCC2 ZINC000585108142 468972346 /nfs/dbraw/zinc/97/23/46/468972346.db2.gz BKAGJYUBDXGGEE-UZLBHIALSA-N 0 3 344.455 2.342 40 0 EEABHN C[C@@]1(CO)C[C@@H](O)CN1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000585142366 468991595 /nfs/dbraw/zinc/99/15/95/468991595.db2.gz UVCCMBNUJUQBBO-ABAIWWIYSA-N 0 3 347.242 2.140 40 0 EEABHN Cc1cccc(NC(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)n1 ZINC000585141834 468991876 /nfs/dbraw/zinc/99/18/76/468991876.db2.gz ZFHZCVXNYOLBEP-HNNXBMFYSA-N 0 3 332.448 2.497 40 0 EEABHN CC(=O)N1CCN(C2CCCC2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585281133 469008786 /nfs/dbraw/zinc/00/87/86/469008786.db2.gz FHFIHEDGCOSULQ-HXUWFJFHSA-N 0 3 346.471 2.212 40 0 EEABHN Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)N1Cc1cc(F)ccc1F ZINC000019286345 202002316 /nfs/dbraw/zinc/00/23/16/202002316.db2.gz NILSUPSGPNCTSF-UONOGXRCSA-N 0 3 331.366 2.488 40 0 EEABHN Cc1ccc(C)c(NC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)c1 ZINC000078611846 202399063 /nfs/dbraw/zinc/39/90/63/202399063.db2.gz LSURCRQPFFNXOU-OAHLLOKOSA-N 0 3 329.444 2.375 40 0 EEABHN CCOC[C@@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)CC ZINC000218517263 241328697 /nfs/dbraw/zinc/32/86/97/241328697.db2.gz LAWYZEKVYYRCQP-IKGGRYGDSA-N 0 3 325.474 2.131 40 0 EEABHN c1cc2n(c1)C[C@@H](OCc1ccccn1)CN(C1CCOCC1)C2 ZINC000253588737 244024282 /nfs/dbraw/zinc/02/42/82/244024282.db2.gz QFAUWUAPRSWLFP-LJQANCHMSA-N 0 3 327.428 2.463 40 0 EEABHN Cc1cnc(NCC[C@H]2CCOC23CN(CC2CCOCC2)C3)nc1 ZINC000253600039 244031627 /nfs/dbraw/zinc/03/16/27/244031627.db2.gz AYKXSMSGUQTQRT-KRWDZBQOSA-N 0 3 346.475 2.105 40 0 EEABHN CNCC(=O)N1CCC2(CO[C@@H](Cc3ccc(Cl)cc3)C2)CC1 ZINC000257264635 244357511 /nfs/dbraw/zinc/35/75/11/244357511.db2.gz LVJNCMADHTXDTR-INIZCTEOSA-N 0 3 336.863 2.500 40 0 EEABHN O=C(c1ccccc1)N1C[C@H](OCCN2CCCC2)[C@H]2OCCC[C@H]21 ZINC000107207442 204228222 /nfs/dbraw/zinc/22/82/22/204228222.db2.gz GYJPPNJLQNNYOS-QYZOEREBSA-N 0 3 344.455 2.171 40 0 EEABHN COCCNC(=O)[C@H]1CCC[C@]12CCN(Cc1ncccc1C)C2 ZINC000108526876 204266225 /nfs/dbraw/zinc/26/62/25/204266225.db2.gz UBGCFESQJXEHAK-VQIMIIECSA-N 0 3 331.460 2.145 40 0 EEABHN O=C(Nc1cnn(Cc2ccccn2)c1)NC1CCN(C2CC2)CC1 ZINC000175947919 207174788 /nfs/dbraw/zinc/17/47/88/207174788.db2.gz FPHFXKOIJOKWGP-UHFFFAOYSA-N 0 3 340.431 2.075 40 0 EEABHN CCC[C@@H](N)C(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000096499781 218874805 /nfs/dbraw/zinc/87/48/05/218874805.db2.gz MFPFSUFCMKVZJG-NWDGAFQWSA-N 0 3 331.338 2.208 40 0 EEABHN Cc1cc2nc([C@@H]3CCCCN3CC3(O)CCOCC3)ccn2n1 ZINC000257304949 292024152 /nfs/dbraw/zinc/02/41/52/292024152.db2.gz SNVIIPLMRRNKTG-INIZCTEOSA-N 0 3 330.432 2.106 40 0 EEABHN O=C1NN=C(c2ccc(-c3cc(F)cc(F)c3)o2)[C@]12CCCNC2 ZINC000095101119 275024571 /nfs/dbraw/zinc/02/45/71/275024571.db2.gz LUVPQKQKBKSAOD-QGZVFWFLSA-N 0 3 331.322 2.429 40 0 EEABHN CCCCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2CC)cc1 ZINC000006651472 462694233 /nfs/dbraw/zinc/69/42/33/462694233.db2.gz GJLPKIPSWATWCN-INIZCTEOSA-N 0 3 347.459 2.405 40 0 EEABHN Cc1cc(CN2CC[C@H]3OCC[C@@]3(C(=O)N3CCCC3)C2)oc1C ZINC000096038713 463143667 /nfs/dbraw/zinc/14/36/67/463143667.db2.gz HPKZMUXNBSDWSN-IEBWSBKVSA-N 0 3 332.444 2.500 40 0 EEABHN COc1ccc(CN2CC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)cc1 ZINC000096047722 463152306 /nfs/dbraw/zinc/15/23/06/463152306.db2.gz SZNLKCZUEFDLJA-LPHOPBHVSA-N 0 3 340.427 2.331 40 0 EEABHN Cc1nc(CN2C[C@]3(CCN(Cc4ccncc4)C3)CC2=O)cs1 ZINC000096050919 463154901 /nfs/dbraw/zinc/15/49/01/463154901.db2.gz UJXOBKKABLDONA-GOSISDBHSA-N 0 3 342.468 2.471 40 0 EEABHN O=C(c1ccccn1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096053891 463156476 /nfs/dbraw/zinc/15/64/76/463156476.db2.gz BTHQAXXPGVJDPI-IYBDPMFKSA-N 0 3 325.387 2.425 40 0 EEABHN Cc1cccc(CO[C@@H]2C[C@@H]3CN(Cc4ccccn4)CCN3C2)n1 ZINC000096055094 463156564 /nfs/dbraw/zinc/15/65/64/463156564.db2.gz QXMPXPYBLMDLPY-WOJBJXKFSA-N 0 3 338.455 2.260 40 0 EEABHN c1ccc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3CC2CCOCC2)nc1 ZINC000096058027 463159697 /nfs/dbraw/zinc/15/96/97/463159697.db2.gz WTIVLXOTQMIRDE-IPMKNSEASA-N 0 3 332.444 2.257 40 0 EEABHN Cc1ccc(CN2CCC3(CC2)CN(c2ncc(F)cn2)CCO3)o1 ZINC000096159070 463190530 /nfs/dbraw/zinc/19/05/30/463190530.db2.gz DRROYTJFBJRVQP-UHFFFAOYSA-N 0 3 346.406 2.389 40 0 EEABHN Cc1oncc1C(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096161695 463192214 /nfs/dbraw/zinc/19/22/14/463192214.db2.gz AHMCSHLVWIVUSV-GASCZTMLSA-N 0 3 329.375 2.326 40 0 EEABHN Cc1ccc(OCC(=O)N2CC[C@@]3(C2)CCC[C@@H](CN(C)C)O3)cc1 ZINC000096209203 463212622 /nfs/dbraw/zinc/21/26/22/463212622.db2.gz QRYNIMQFCFXSRQ-AZUAARDMSA-N 0 3 346.471 2.476 40 0 EEABHN Cc1ccc(CN2CCC3(CC2)C(=O)N(C)CCN3CC2CC2)o1 ZINC000096230280 463223951 /nfs/dbraw/zinc/22/39/51/463223951.db2.gz CMRMPPLHEOVAEA-UHFFFAOYSA-N 0 3 331.460 2.107 40 0 EEABHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc2ncccc2c1 ZINC000096410749 463243920 /nfs/dbraw/zinc/24/39/20/463243920.db2.gz OZQKLQBCYYENHW-INIZCTEOSA-N 0 3 340.427 2.164 40 0 EEABHN CC(C)[C@@H](CNc1nccc2c1C(=O)OC2(C)C)N1CCN(C)CC1 ZINC000096429133 463258945 /nfs/dbraw/zinc/25/89/45/463258945.db2.gz HCZOFPNABKXUJC-OAHLLOKOSA-N 0 3 346.475 2.171 40 0 EEABHN CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000096467525 463277855 /nfs/dbraw/zinc/27/78/55/463277855.db2.gz ZBXDBKPNKWHAPF-CYBMUJFWSA-N 0 3 339.867 2.049 40 0 EEABHN Cc1ccc(CNC[C@@H]2CN(C)CCN2C)c(Br)c1 ZINC000096483929 463282741 /nfs/dbraw/zinc/28/27/41/463282741.db2.gz DVZRFCPSYFWCFO-CQSZACIVSA-N 0 3 326.282 2.093 40 0 EEABHN CS(=O)(=O)[C@H]1CCCC[C@@H]1NCCc1ccc(-n2cccn2)cc1 ZINC000096491558 463286529 /nfs/dbraw/zinc/28/65/29/463286529.db2.gz NYRRCDZRDYDRLU-ROUUACIJSA-N 0 3 347.484 2.360 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000096499784 463290505 /nfs/dbraw/zinc/29/05/05/463290505.db2.gz PRQIROOYGUUFHO-AAEUAGOBSA-N 0 3 331.338 2.063 40 0 EEABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1F ZINC000073743048 463651783 /nfs/dbraw/zinc/65/17/83/463651783.db2.gz WDQJETKACUNNFX-NSHDSACASA-N 0 3 327.787 2.018 40 0 EEABHN CNc1cc(C)nc([C@H]2CN(C(=O)Cc3csc(C)n3)CCO2)c1 ZINC000257283697 463762122 /nfs/dbraw/zinc/76/21/22/463762122.db2.gz OZKNKJLMUGUDRF-MRXNPFEDSA-N 0 3 346.456 2.339 40 0 EEABHN CCn1cc(CN2CC[C@H](O)[C@@H](NC(C)=O)CC2)c2ccccc21 ZINC000257295821 463767841 /nfs/dbraw/zinc/76/78/41/463767841.db2.gz RAAUQZPIIUBYNN-HKUYNNGSSA-N 0 3 329.444 2.123 40 0 EEABHN CC[C@H](CO)N[C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000195561762 464076919 /nfs/dbraw/zinc/07/69/19/464076919.db2.gz CVLKSEKSMSCOQX-PVAVHDDUSA-N 0 3 325.474 2.440 40 0 EEABHN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)[nH]1 ZINC000223289817 464141076 /nfs/dbraw/zinc/14/10/76/464141076.db2.gz JMVOIJWCENWZPK-HOTGVXAUSA-N 0 3 329.473 2.252 40 0 EEABHN CC[C@H](N)C(=O)N1CCN([C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000225490275 464165442 /nfs/dbraw/zinc/16/54/42/464165442.db2.gz ASFYGCVHHYDUDL-UONOGXRCSA-N 0 3 329.366 2.172 40 0 EEABHN CC[C@@H](N)C(=O)N1CCN([C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000225490310 464165813 /nfs/dbraw/zinc/16/58/13/464165813.db2.gz ASFYGCVHHYDUDL-ZIAGYGMSSA-N 0 3 329.366 2.172 40 0 EEABHN C[C@](O)(CN1CCC(OC[C@H]2CCCCO2)CC1)C(F)(F)F ZINC000240871487 464449521 /nfs/dbraw/zinc/44/95/21/464449521.db2.gz IKWPVOHXWMIGOK-KGLIPLIRSA-N 0 3 325.371 2.350 40 0 EEABHN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(CN)CO)cc1 ZINC000252514720 464978423 /nfs/dbraw/zinc/97/84/23/464978423.db2.gz CYINEGSJVUKCIV-GUDVDZBRSA-N 0 3 345.464 2.126 40 0 EEABHN CC[C@@H]1CN(CC(C)(C)O)[C@@H](CC)CN1C(=O)c1oc(C)nc1C ZINC000252549673 464982245 /nfs/dbraw/zinc/98/22/45/464982245.db2.gz RQMMSBPILUKXLZ-LSDHHAIUSA-N 0 3 337.464 2.377 40 0 EEABHN CC(C)c1ccccc1O[C@@H](C)C(=O)NCCCN1CCN(C)CC1 ZINC000020460831 202043570 /nfs/dbraw/zinc/04/35/70/202043570.db2.gz ZFVOAOJXDYSYFH-KRWDZBQOSA-N 0 3 347.503 2.331 40 0 EEABHN COc1ccccc1C(=O)N1CCO[C@@H](c2cc(N)cc(C)n2)C1 ZINC000257202596 244125077 /nfs/dbraw/zinc/12/50/77/244125077.db2.gz AMOFNSBMKRRTRV-QGZVFWFLSA-N 0 3 327.384 2.195 40 0 EEABHN CNc1nccnc1C1CCN(C(=O)[C@]2(C)CCCCN2C)CC1 ZINC000072367319 203207934 /nfs/dbraw/zinc/20/79/34/203207934.db2.gz QKKUEHFNOMGXIL-SFHVURJKSA-N 0 3 331.464 2.099 40 0 EEABHN c1cc(-c2nnn3c2CO[C@H](CNCc2cccnc2)C3)cs1 ZINC000096061054 203816850 /nfs/dbraw/zinc/81/68/50/203816850.db2.gz RAJLRZKKDAINRT-CQSZACIVSA-N 0 3 327.413 2.090 40 0 EEABHN Cc1ccc(F)c(CN2CCC3(CC(NS(C)(=O)=O)C3)CC2)c1 ZINC000108529917 204266361 /nfs/dbraw/zinc/26/63/61/204266361.db2.gz LOVFASFTRLYWBY-UHFFFAOYSA-N 0 3 340.464 2.428 40 0 EEABHN COCCN1CCC(NC(=O)c2cccc(Br)c2)CC1 ZINC000049138609 204368416 /nfs/dbraw/zinc/36/84/16/204368416.db2.gz CSKHYOOMADFYDL-UHFFFAOYSA-N 0 3 341.249 2.290 40 0 EEABHN c1nc2c(ncnc2NCN2CCCCC2)n1CN1CCCCC1 ZINC000000077342 206211436 /nfs/dbraw/zinc/21/14/36/206211436.db2.gz PJYWBWSJHHIQKO-UHFFFAOYSA-N 0 3 329.452 2.125 40 0 EEABHN Cc1ccc(NCc2cnc(N3CCOCC3)nc2)c(CN(C)C)c1 ZINC000095429105 218372017 /nfs/dbraw/zinc/37/20/17/218372017.db2.gz OFQLICSOHONCTB-UHFFFAOYSA-N 0 3 341.459 2.295 40 0 EEABHN COc1ccc(S(=O)(=O)NC[C@@H](C(C)C)N2CCCC2)cc1 ZINC000036631318 286351469 /nfs/dbraw/zinc/35/14/69/286351469.db2.gz HOVQSHJCFVZSEX-INIZCTEOSA-N 0 3 326.462 2.094 40 0 EEABHN CC(C)N(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)[C@H](C)N)CC1 ZINC000100177820 279299506 /nfs/dbraw/zinc/29/95/06/279299506.db2.gz TXZNHQJZIQDLKR-MELADBBJSA-N 0 3 327.469 2.407 40 0 EEABHN C[C@@H](C(=O)N1CCC(c2nn(C)c3ncccc23)CC1)N1CCCC1 ZINC000019077949 463014679 /nfs/dbraw/zinc/01/46/79/463014679.db2.gz QEFHTVSSCBPPMX-AWEZNQCLSA-N 0 3 341.459 2.159 40 0 EEABHN Cc1ccc(CN2CCC[C@]3(C2)COCCN(c2cnccn2)C3)o1 ZINC000096049633 463152991 /nfs/dbraw/zinc/15/29/91/463152991.db2.gz KPTLDIFBWUKFMP-LJQANCHMSA-N 0 3 342.443 2.497 40 0 EEABHN c1csc(CNC[C@@H]2Cn3nnc(-c4ccncc4)c3CO2)c1 ZINC000096069354 463166043 /nfs/dbraw/zinc/16/60/43/463166043.db2.gz OQKUZZUOMMZWNS-CYBMUJFWSA-N 0 3 327.413 2.090 40 0 EEABHN CC(C)N1CCOC[C@]2(CCCN(C(=O)c3cccc(O)c3)C2)C1 ZINC000096076261 463169445 /nfs/dbraw/zinc/16/94/45/463169445.db2.gz UIFVXZKCGPPAOZ-LJQANCHMSA-N 0 3 332.444 2.355 40 0 EEABHN Cc1ccc(CN2CCc3c(COCCN(C)C)nn(C)c3C2)s1 ZINC000096084997 463170837 /nfs/dbraw/zinc/17/08/37/463170837.db2.gz YFWRCHOKJHVMCN-UHFFFAOYSA-N 0 3 348.516 2.427 40 0 EEABHN Cn1cc(CN2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)cn1 ZINC000096100323 463173234 /nfs/dbraw/zinc/17/32/34/463173234.db2.gz GIXGYMJBOSZHJV-FQEVSTJZSA-N 0 3 336.439 2.320 40 0 EEABHN Cc1cccc(CN2C[C@@H]3COC[C@]3(COc3cccnc3)C2)n1 ZINC000096108825 463177459 /nfs/dbraw/zinc/17/74/59/463177459.db2.gz ZXPROKWKCSIPFB-APWZRJJASA-N 0 3 325.412 2.312 40 0 EEABHN COCCN1CCC2(CCN(Cc3ccc(OC)cc3)CC2)C1=O ZINC000096157759 463188529 /nfs/dbraw/zinc/18/85/29/463188529.db2.gz AAPIVQRGUNNUSL-UHFFFAOYSA-N 0 3 332.444 2.156 40 0 EEABHN c1nc2n(c1CN1CCCCC1)CCN(Cc1cccnc1)CC2 ZINC000096196886 463203032 /nfs/dbraw/zinc/20/30/32/463203032.db2.gz QKRCYAKCOHYMBD-UHFFFAOYSA-N 0 3 325.460 2.322 40 0 EEABHN Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2Cc2ccncc2)cn1 ZINC000096200256 463206232 /nfs/dbraw/zinc/20/62/32/463206232.db2.gz FPMTUWTUZIOXMB-RBUKOAKNSA-N 0 3 326.444 2.427 40 0 EEABHN C[C@H](N)C(=O)N(C1CC1)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079393203 463210763 /nfs/dbraw/zinc/21/07/63/463210763.db2.gz JXHZOYALSOLGDP-YOEHRIQHSA-N 0 3 345.443 2.126 40 0 EEABHN CC(C)N1CCOC[C@@]2(CCCN(C(=O)CCc3cccnc3)C2)C1 ZINC000096228743 463222012 /nfs/dbraw/zinc/22/20/12/463222012.db2.gz GITZNCSFAHTJNP-FQEVSTJZSA-N 0 3 345.487 2.364 40 0 EEABHN CN1CCc2cc(C(=O)N3CCCC3)c(NCC3CC3)nc2CC1 ZINC000096260615 463231461 /nfs/dbraw/zinc/23/14/61/463231461.db2.gz ZCVRKMYCUYWQHF-UHFFFAOYSA-N 0 3 328.460 2.170 40 0 EEABHN C[C@H](CNC(=O)Nc1ccc2c(c1)CCCO2)CN1CCN(C)CC1 ZINC000096434466 463262474 /nfs/dbraw/zinc/26/24/74/463262474.db2.gz PBVDPESQYIWQSU-OAHLLOKOSA-N 0 3 346.475 2.017 40 0 EEABHN CN(C)CCNC(=O)Nc1cccc2c1CCN(CC(F)(F)F)C2 ZINC000096499978 463289871 /nfs/dbraw/zinc/28/98/71/463289871.db2.gz XWCUTKBGKFRRDE-UHFFFAOYSA-N 0 3 344.381 2.290 40 0 EEABHN Cc1cc(C)nc(Nc2cccc(C3CCN(CCO)CC3)n2)n1 ZINC000257281302 463760507 /nfs/dbraw/zinc/76/05/07/463760507.db2.gz OONRGMRRZZHCBJ-UHFFFAOYSA-N 0 3 327.432 2.404 40 0 EEABHN COc1cc(CNC(=O)[C@H]2NCCCC2(C)C)cc(OC)c1OC ZINC000261607863 463801149 /nfs/dbraw/zinc/80/11/49/463801149.db2.gz DAHZFVAFGDLWNM-MRXNPFEDSA-N 0 3 336.432 2.107 40 0 EEABHN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2NCC(C)(C)O)cc1 ZINC000185413698 463817086 /nfs/dbraw/zinc/81/70/86/463817086.db2.gz HDBQGXXRXXTCSV-HOTGVXAUSA-N 0 3 325.474 2.440 40 0 EEABHN Cc1ccc(C(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)c(C)c1 ZINC000224307165 464149466 /nfs/dbraw/zinc/14/94/66/464149466.db2.gz CTCMQCVBESJUKS-UHFFFAOYSA-N 0 3 339.443 2.122 40 0 EEABHN CC[C@@H](N)C(=O)N1CCN([C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000225490375 464164992 /nfs/dbraw/zinc/16/49/92/464164992.db2.gz ASFYGCVHHYDUDL-KGLIPLIRSA-N 0 3 329.366 2.172 40 0 EEABHN C[C@H](NC[C@@H](O)COc1ccccc1)[C@H]1COc2ccccc2O1 ZINC000248234412 464740062 /nfs/dbraw/zinc/74/00/62/464740062.db2.gz CZLWUFZQTCVKEE-QMTMVMCOSA-N 0 3 329.396 2.244 40 0 biogenic EEABHN Cc1ccc(CS(=O)(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c(F)c1 ZINC000192714730 464983111 /nfs/dbraw/zinc/98/31/11/464983111.db2.gz CIXDFWGMKGGEAY-HIFRSBDPSA-N 0 3 328.453 2.378 40 0 EEABHN CC(C(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl)S(C)(=O)=O ZINC000330781211 465801998 /nfs/dbraw/zinc/80/19/98/465801998.db2.gz FKJBTWACKOKINF-QWRGUYRKSA-N 0 3 347.839 2.446 40 0 EEABHN C[C@H]1C[C@@H](c2nc(-c3ccc(S(C)(=O)=O)cc3)no2)CCN1C ZINC000331638875 466174286 /nfs/dbraw/zinc/17/42/86/466174286.db2.gz JGHFWQALCRYEAV-AAEUAGOBSA-N 0 3 335.429 2.338 40 0 EEABHN Cc1ncc2c(n1)C1(CCN(Cc3cccs3)CC1)CN(C)C2=O ZINC000306137647 466493850 /nfs/dbraw/zinc/49/38/50/466493850.db2.gz RCDUESILIGZXKU-UHFFFAOYSA-N 0 3 342.468 2.466 40 0 EEABHN Cc1nc(CN(C)CC(C)(C)CN2CCOCC2)c2ccccn12 ZINC000585141471 468989732 /nfs/dbraw/zinc/98/97/32/468989732.db2.gz WLRNDWIERKKYEZ-UHFFFAOYSA-N 0 3 330.476 2.433 40 0 EEABHN COC[C@@]1(CC(N)=O)CCCN1Cc1[nH]c2ccc(F)cc2c1C ZINC000585278688 469004875 /nfs/dbraw/zinc/00/48/75/469004875.db2.gz QNPZLVPWALJQEY-SFHVURJKSA-N 0 3 333.407 2.472 40 0 EEABHN Cc1cccc(OC[C@]2(O)COCCN(CC3(O)CCCCC3)C2)c1 ZINC000585279468 469005951 /nfs/dbraw/zinc/00/59/51/469005951.db2.gz ZLAHGHLWNUCKFU-HXUWFJFHSA-N 0 3 349.471 2.132 40 0 EEABHN CC(C)(Cc1ccc(C(F)(F)F)cc1)NCC(=O)N1CCOCC1 ZINC000190683325 527233097 /nfs/dbraw/zinc/23/30/97/527233097.db2.gz ITLRFMFHGZKNNL-UHFFFAOYSA-N 0 3 344.377 2.475 40 0 EEABHN CO[C@H]1CCCOC12CCN(Cc1ccc(OCCO)cc1)CC2 ZINC000257237645 536713896 /nfs/dbraw/zinc/71/38/96/536713896.db2.gz HHKUVQCBYKXMJG-SFHVURJKSA-N 0 3 335.444 2.218 40 0 EEABHN Cc1onc(C(=O)NCC(C)(C)N2CCCCC2)c1Cn1cccn1 ZINC000019657713 202015560 /nfs/dbraw/zinc/01/55/60/202015560.db2.gz RUWQMMWRQMYZES-UHFFFAOYSA-N 0 3 345.447 2.222 40 0 EEABHN COc1cc(C)ccc1CN1CCC[C@H]1c1nnc2n1CCNCC2 ZINC000019710768 202016466 /nfs/dbraw/zinc/01/64/66/202016466.db2.gz FPLVPJOLYNLDKJ-INIZCTEOSA-N 0 3 341.459 2.078 40 0 EEABHN O=C([C@@H](CNCc1cccc(O)c1)c1ccccc1)N1CCOCC1 ZINC000078553776 202396500 /nfs/dbraw/zinc/39/65/00/202396500.db2.gz ZWZGQHJEEXHCDT-IBGZPJMESA-N 0 3 340.423 2.124 40 0 EEABHN COc1cc2c(cc1CN(CCN(C)C)Cc1cccnc1)OCO2 ZINC000022931588 212336695 /nfs/dbraw/zinc/33/66/95/212336695.db2.gz AHGBVDWZNXSVFY-UHFFFAOYSA-N 0 3 343.427 2.383 40 0 EEABHN COc1ccc([C@@H](CN)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000255961780 244051824 /nfs/dbraw/zinc/05/18/24/244051824.db2.gz ADROAGHLHUGPGF-GDBMZVCRSA-N 0 3 335.448 2.294 40 0 EEABHN CNc1ncccc1CN1CCC[C@H](Cc2nccnc2N(C)C)C1 ZINC000257253475 244275284 /nfs/dbraw/zinc/27/52/84/244275284.db2.gz JZBLAJOMYABYAF-OAHLLOKOSA-N 0 3 340.475 2.434 40 0 EEABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)CCn3nccc3C)C2)c1 ZINC000257272801 244384318 /nfs/dbraw/zinc/38/43/18/244384318.db2.gz NDYBHDDLPDRWNH-OAHLLOKOSA-N 0 3 327.432 2.343 40 0 EEABHN CC(C)n1cc([C@H](C)NC[C@@]2(N3CCOCC3)CCSC2)cn1 ZINC000095420910 218362373 /nfs/dbraw/zinc/36/23/73/218362373.db2.gz CRKLJBJPKDTDQI-RDJZCZTQSA-N 0 3 338.521 2.323 40 0 EEABHN CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)C2(CN)CN)cc1 ZINC000218409129 276691787 /nfs/dbraw/zinc/69/17/87/276691787.db2.gz CLHGLAFITPAZDJ-ROUUACIJSA-N 0 3 344.480 2.093 40 0 EEABHN CC(C)C[C@@H](CN(C)C)NC(=O)N1CCSC2(CCOCC2)C1 ZINC000185813329 278970954 /nfs/dbraw/zinc/97/09/54/278970954.db2.gz SJQGMPLXYHBZKT-HNNXBMFYSA-N 0 3 343.537 2.270 40 0 EEABHN CCC[C@@H](N)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000097228782 323321571 /nfs/dbraw/zinc/32/15/71/323321571.db2.gz BGAJEVBLNLFJKT-KGLIPLIRSA-N 0 3 341.249 2.476 40 0 EEABHN CC(C)CN(CCN(C)C)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000085581571 462554108 /nfs/dbraw/zinc/55/41/08/462554108.db2.gz YYGVKXUKRQZKFD-UHFFFAOYSA-N 0 3 330.436 2.319 40 0 EEABHN C=Cn1cc(CN2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)c(C)n1 ZINC000012117006 462844237 /nfs/dbraw/zinc/84/42/37/462844237.db2.gz SUDIXKCUJFQDHG-BYICEURKSA-N 0 3 327.432 2.040 40 0 EEABHN CC(=O)c1cn(CCC(=O)N[C@@H]2CCCN(C)C2)c2ccccc12 ZINC000012148348 462844973 /nfs/dbraw/zinc/84/49/73/462844973.db2.gz STWDITPPSSYREO-OAHLLOKOSA-N 0 3 327.428 2.444 40 0 EEABHN CCCN1C[C@H](NC(=O)C2CCOCC2)[C@@H](c2ccc(OC)cc2)C1 ZINC000012241816 462848075 /nfs/dbraw/zinc/84/80/75/462848075.db2.gz ODGCXGYWXBDCSD-MOPGFXCFSA-N 0 3 346.471 2.416 40 0 EEABHN Cc1ccc(=O)n(CC2(O)C[C@H]3CC[C@@H](C2)N3Cc2cccs2)n1 ZINC000012366045 462852161 /nfs/dbraw/zinc/85/21/61/462852161.db2.gz PIOXIMJSXKGEFE-MVVMVCHASA-N 0 3 345.468 2.171 40 0 EEABHN CC[C@H](NC(=O)C[C@@H]1CNCCO1)c1ccc(Br)cc1 ZINC000091299948 462871719 /nfs/dbraw/zinc/87/17/19/462871719.db2.gz AGOIARMIRMDQNI-KGLIPLIRSA-N 0 3 341.249 2.395 40 0 EEABHN CN(C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1ccccc1)C2 ZINC000096039559 463144086 /nfs/dbraw/zinc/14/40/86/463144086.db2.gz GWRPKHNJGVOTOK-AZUAARDMSA-N 0 3 346.471 2.276 40 0 EEABHN Cc1ccc(CN2C[C@@H](C(=O)N3CCCO3)C[C@H]3OCC[C@H]32)s1 ZINC000096041262 463146510 /nfs/dbraw/zinc/14/65/10/463146510.db2.gz MOXBLPMKWYZJSM-NUEKZKHPSA-N 0 3 336.457 2.200 40 0 EEABHN CN1CCN([C@H]2COC3(C2)CCN(Cc2ccsc2)CC3)CC1 ZINC000096048840 463153590 /nfs/dbraw/zinc/15/35/90/463153590.db2.gz WYWBHDXVTJYBIB-QGZVFWFLSA-N 0 3 335.517 2.119 40 0 EEABHN c1csc(CN2CC[C@@]3(C2)COCCN(c2ncccn2)C3)c1 ZINC000096062409 463163642 /nfs/dbraw/zinc/16/36/42/463163642.db2.gz AHFRGUAPLXZNPP-KRWDZBQOSA-N 0 3 330.457 2.267 40 0 EEABHN Cc1ccoc1C(=O)N1CC[C@]2(C[C@@H](OCCN3CCCC3)CO2)C1 ZINC000096107732 463175414 /nfs/dbraw/zinc/17/54/14/463175414.db2.gz VASGTFUNBJXEJS-APWZRJJASA-N 0 3 348.443 2.074 40 0 EEABHN c1ccc(COC[C@]23COC[C@H]2CN(Cc2ccncc2)C3)nc1 ZINC000096108991 463177699 /nfs/dbraw/zinc/17/76/99/463177699.db2.gz IDVQZUJYTSMIEC-MJGOQNOKSA-N 0 3 325.412 2.142 40 0 EEABHN O=C(c1cccs1)N1CCN(c2cnnc(N3CCCC3)c2)CC1 ZINC000096121052 463182294 /nfs/dbraw/zinc/18/22/94/463182294.db2.gz ZPKPVOHYJCMTAS-UHFFFAOYSA-N 0 3 343.456 2.101 40 0 EEABHN O=C(Nc1cnccc1N1CCCCC1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000079041112 463182800 /nfs/dbraw/zinc/18/28/00/463182800.db2.gz XVJRHNSDOVTFGZ-ZDUSSCGKSA-N 0 3 328.416 2.021 40 0 EEABHN C[C@H](NC1(CNC(=O)c2cnccn2)CCOCC1)c1ccccc1 ZINC000079096161 463188312 /nfs/dbraw/zinc/18/83/12/463188312.db2.gz BRIDLXLQXGIKHB-HNNXBMFYSA-N 0 3 340.427 2.106 40 0 EEABHN Cc1cccc(CN2CC[C@]3(CCN(Cc4cccnc4)C3=O)C2)n1 ZINC000096159410 463190872 /nfs/dbraw/zinc/19/08/72/463190872.db2.gz OAFIIGAEIUDXRT-FQEVSTJZSA-N 0 3 336.439 2.410 40 0 EEABHN O=C(NCC1CC1)[C@H]1CC[C@@H]2[C@@H](CCN2CCc2ccccc2)O1 ZINC000096187227 463198653 /nfs/dbraw/zinc/19/86/53/463198653.db2.gz JCPXEINJGNBTPZ-GUDVDZBRSA-N 0 3 328.456 2.377 40 0 EEABHN COCCO[C@H]1CCN(Cc2cccc(F)c2)[C@H]1Cc1cnn(C)c1 ZINC000096200661 463205413 /nfs/dbraw/zinc/20/54/13/463205413.db2.gz LADRMOZSMXMPCK-OALUTQOASA-N 0 3 347.434 2.408 40 0 EEABHN Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2Cc2cccnc2)cn1 ZINC000096200255 463205893 /nfs/dbraw/zinc/20/58/93/463205893.db2.gz AZJZJAOMLPBMSF-RBUKOAKNSA-N 0 3 326.444 2.427 40 0 EEABHN COC(=O)[C@H]1C[C@H]1C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000096407275 463240538 /nfs/dbraw/zinc/24/05/38/463240538.db2.gz MUIFLAYNANSDPA-XYPHTWIQSA-N 0 3 330.428 2.137 40 0 EEABHN CC(C(=O)N(Cc1ccc(F)cc1)CC(F)(F)F)S(C)(=O)=O ZINC000096425759 463254885 /nfs/dbraw/zinc/25/48/85/463254885.db2.gz BIBSXISHOUIJCI-VIFPVBQESA-N 0 3 341.326 2.150 40 0 EEABHN CCN1CCN(c2ccc(C(=O)N3CCC[C@H](COC)C3)cc2)CC1 ZINC000096427216 463257409 /nfs/dbraw/zinc/25/74/09/463257409.db2.gz SGASWGWMKQZNNS-KRWDZBQOSA-N 0 3 345.487 2.327 40 0 EEABHN CN(Cc1cc(=O)c(O)co1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000096441739 463266921 /nfs/dbraw/zinc/26/69/21/463266921.db2.gz PLKBQBDPHNGZHU-MRXNPFEDSA-N 0 3 328.412 2.299 40 0 EEABHN Cc1ccc(CNC[C@H]2CN(C)CCN2C)c(Br)c1 ZINC000096483930 463282751 /nfs/dbraw/zinc/28/27/51/463282751.db2.gz DVZRFCPSYFWCFO-AWEZNQCLSA-N 0 3 326.282 2.093 40 0 EEABHN CC(C)[C@@H](C(=O)NCCc1nc2cc(Cl)ccc2n1C)N(C)C ZINC000097228816 463350815 /nfs/dbraw/zinc/35/08/15/463350815.db2.gz YZSXLIIWSFUBHU-INIZCTEOSA-N 0 3 336.867 2.472 40 0 EEABHN Cc1cc(N)cc([C@@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)n1 ZINC000257304600 463770557 /nfs/dbraw/zinc/77/05/57/463770557.db2.gz SMJBSPBOGHSYMR-KRWDZBQOSA-N 0 3 345.374 2.090 40 0 EEABHN CN(C)C[C@H](NC(=O)NCCc1ccnn1C)c1ccc(Cl)cc1 ZINC000225790299 464181729 /nfs/dbraw/zinc/18/17/29/464181729.db2.gz WTVXJWNWKVIUHM-INIZCTEOSA-N 0 3 349.866 2.218 40 0 EEABHN C[C@@H]1CCN(C[C@H](O)COc2ccccc2C(F)(F)F)C[C@H]1O ZINC000245338639 464471531 /nfs/dbraw/zinc/47/15/31/464471531.db2.gz NLHGRPZVYYHGQW-MBNYWOFBSA-N 0 3 333.350 2.148 40 0 EEABHN CN(C(=O)N1CCCC[C@H](N2CCN(C)CC2)C1)c1ccc(F)cc1 ZINC000190820084 464726332 /nfs/dbraw/zinc/72/63/32/464726332.db2.gz CBMNJOWVNODNDL-SFHVURJKSA-N 0 3 348.466 2.484 40 0 EEABHN CN1CC[C@H](COc2ccccn2)CC12CN(CC1CCOCC1)C2 ZINC000248104867 464729106 /nfs/dbraw/zinc/72/91/06/464729106.db2.gz FRHIPZMRGQKHRK-SFHVURJKSA-N 0 3 345.487 2.283 40 0 EEABHN CC[C@H]1CN(C(=O)c2oc(C)nc2C)[C@@H](CC)CN1CC(C)(C)O ZINC000252549672 464982495 /nfs/dbraw/zinc/98/24/95/464982495.db2.gz RQMMSBPILUKXLZ-GJZGRUSLSA-N 0 3 337.464 2.377 40 0 EEABHN CC[C@H](CNC(=O)N1CC[C@@H]([C@H](C)O)C1)N1CCc2ccccc2C1 ZINC000253370377 464994961 /nfs/dbraw/zinc/99/49/61/464994961.db2.gz QBKGBYZNRZJGDB-KVSKMBFKSA-N 0 3 345.487 2.236 40 0 EEABHN COc1ccc(CCC(=O)NCC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000575609111 468147680 /nfs/dbraw/zinc/14/76/80/468147680.db2.gz YGHXOOILWLIVPQ-GOSISDBHSA-N 0 3 346.471 2.245 40 0 EEABHN CO[C@H]1CN(Cc2cccc3cccnc32)C[C@@H]1CC(=O)N(C)C ZINC000585279003 469005313 /nfs/dbraw/zinc/00/53/13/469005313.db2.gz RRKZEXMLEJTKPG-IRXDYDNUSA-N 0 3 327.428 2.160 40 0 EEABHN COc1cc2nccc(N3CCn4c(C)nnc4C3)c2cc1OC ZINC000665699580 472143126 /nfs/dbraw/zinc/14/31/26/472143126.db2.gz WYZIQTKNZWCNSP-UHFFFAOYSA-N 0 3 325.372 2.172 40 0 EEABHN CNC(=O)c1ccc(CN(C)C(=O)[C@@H](N)CC2CCCCC2)cc1 ZINC000261624990 779505597 /nfs/dbraw/zinc/50/55/97/779505597.db2.gz GPKQQGWLYNUTPT-KRWDZBQOSA-N 0 3 331.460 2.302 40 0 EEABHN CC(C)c1cc(C(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)on1 ZINC000019452910 202008786 /nfs/dbraw/zinc/00/87/86/202008786.db2.gz OUNWLTYDGSDOGU-HNNXBMFYSA-N 0 3 341.415 2.211 40 0 EEABHN CC(C)[C@@H](C(=O)NCCC(=O)Nc1ccncc1)N1CCCCC1 ZINC000078502495 202396601 /nfs/dbraw/zinc/39/66/01/202396601.db2.gz QBPNGEUOTXPBJP-KRWDZBQOSA-N 0 3 332.448 2.037 40 0 EEABHN CCN1CCN(CCC(=O)N[C@@H](C)COc2c(C)cccc2C)CC1 ZINC000078394390 202390372 /nfs/dbraw/zinc/39/03/72/202390372.db2.gz HMUFQMDVXZAWCU-SFHVURJKSA-N 0 3 347.503 2.215 40 0 EEABHN COCCOc1ccc(NC(=O)NC2(CN(C)C)CCC2)cc1F ZINC000281415667 201326131 /nfs/dbraw/zinc/32/61/31/201326131.db2.gz QAUAYSNKOAWYHW-UHFFFAOYSA-N 0 3 339.411 2.457 40 0 EEABHN CCc1nccn1CCC(=O)N1CCNC[C@H]1c1ccc(OC)cc1 ZINC000257202841 244122991 /nfs/dbraw/zinc/12/29/91/244122991.db2.gz ANQVLACVJKHVKQ-KRWDZBQOSA-N 0 3 342.443 2.017 40 0 EEABHN COc1ccc(C)cc1CC(=O)NCc1c[nH]c([C@H]2CCN(C)C2)n1 ZINC000257246396 244258475 /nfs/dbraw/zinc/25/84/75/244258475.db2.gz ITYXXRUWJXCQJG-AWEZNQCLSA-N 0 3 342.443 2.005 40 0 EEABHN COc1ccccc1Oc1nccnc1C1CCN(CCO)CC1 ZINC000072361607 203206026 /nfs/dbraw/zinc/20/60/26/203206026.db2.gz WUVWAMKZPDTROD-UHFFFAOYSA-N 0 3 329.400 2.449 40 0 EEABHN CNc1nccnc1C1CCN(C(=O)[C@@]2(C)CCCCN2C)CC1 ZINC000072367318 203208028 /nfs/dbraw/zinc/20/80/28/203208028.db2.gz QKKUEHFNOMGXIL-GOSISDBHSA-N 0 3 331.464 2.099 40 0 EEABHN COc1cccc(CN2CCC3(CC(NC(=O)N(C)C)C3)CC2)n1 ZINC000108530436 204266329 /nfs/dbraw/zinc/26/63/29/204266329.db2.gz AVKAZJYXXTUWPK-UHFFFAOYSA-N 0 3 332.448 2.106 40 0 EEABHN Cc1ccc([C@@H](C)NCCC(=O)N2CCN(c3ccccn3)CC2)o1 ZINC000095421409 218363599 /nfs/dbraw/zinc/36/35/99/218363599.db2.gz YCIXQDFCTNTDFT-MRXNPFEDSA-N 0 3 342.443 2.373 40 0 EEABHN COc1cccc(CNC[C@H]2COCc3nc4cc(F)ccc4n32)n1 ZINC000096112733 218607953 /nfs/dbraw/zinc/60/79/53/218607953.db2.gz UZUFQYQYXPHSIA-AWEZNQCLSA-N 0 3 342.374 2.440 40 0 biogenic,in-vitro EEABHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1CCCO1 ZINC000271066992 285251748 /nfs/dbraw/zinc/25/17/48/285251748.db2.gz MIOGNYRKLWBVOR-SJLPKXTDSA-N 0 3 332.444 2.384 40 0 EEABHN COC(=O)C1=NOC2(C1)CCN(C[C@H](OC)c1ccccc1)CC2 ZINC000252502250 277051716 /nfs/dbraw/zinc/05/17/16/277051716.db2.gz UOOBAWIZIANQRA-INIZCTEOSA-N 0 3 332.400 2.158 40 0 EEABHN CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000097229388 278246321 /nfs/dbraw/zinc/24/63/21/278246321.db2.gz LYVWTCJMQCJPQU-GXTWGEPZSA-N 0 3 344.864 2.338 40 0 EEABHN CN(C)C[C@H]1CCCCN1C(=O)c1cc(OCC(F)F)ccn1 ZINC000097233164 323321439 /nfs/dbraw/zinc/32/14/39/323321439.db2.gz NWTAVERYGNSYPG-GFCCVEGCSA-N 0 3 327.375 2.282 40 0 EEABHN CC[C@@H](NCCS(=O)(=O)N1CCSCC1)c1cccs1 ZINC000155768818 462940369 /nfs/dbraw/zinc/94/03/69/462940369.db2.gz NDWXLLCQYUKHMM-GFCCVEGCSA-N 0 3 334.532 2.167 40 0 EEABHN Cc1c(CN2CCC[C@H](c3ccc(C(=O)N(C)C)cn3)C2)cnn1C ZINC000019705600 463021391 /nfs/dbraw/zinc/02/13/91/463021391.db2.gz IOHRCNXVHIGNJU-INIZCTEOSA-N 0 3 341.459 2.205 40 0 EEABHN CCc1ccc(CN[C@H]2CCc3c(ccc(=O)n3CCOC)C2)o1 ZINC000096044210 463148855 /nfs/dbraw/zinc/14/88/55/463148855.db2.gz AZWDBCKUFVFLEK-HNNXBMFYSA-N 0 3 330.428 2.297 40 0 EEABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3cccc(F)c3)C[C@H]21)N1CCCO1 ZINC000096065306 463163212 /nfs/dbraw/zinc/16/32/12/463163212.db2.gz VBIASMCGOSHPPB-NUJGCVRESA-N 0 3 348.418 2.074 40 0 EEABHN O=C(CCNC(=O)c1ccco1)Nc1cnccc1N1CCCCC1 ZINC000079041058 463182647 /nfs/dbraw/zinc/18/26/47/463182647.db2.gz VJIDZCVYGZMPSU-UHFFFAOYSA-N 0 3 342.399 2.424 40 0 EEABHN COc1cccc(CN2CCOC3(CCN([C@@H]4CCOC4)CC3)C2)c1 ZINC000096158875 463190748 /nfs/dbraw/zinc/19/07/48/463190748.db2.gz MCEVQHPLODVETR-GOSISDBHSA-N 0 3 346.471 2.151 40 0 EEABHN CSCC[C@H](N)C(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000157964625 463190855 /nfs/dbraw/zinc/19/08/55/463190855.db2.gz VQUAMHQEJXQJPN-AAEUAGOBSA-N 0 3 328.865 2.400 40 0 EEABHN Fc1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC000096183542 463195308 /nfs/dbraw/zinc/19/53/08/463195308.db2.gz ADZJPSNFVAFEOV-GOEBONIOSA-N 0 3 332.354 2.097 40 0 EEABHN N[C@H](Cc1ccccc1)C(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000096481242 463281525 /nfs/dbraw/zinc/28/15/25/463281525.db2.gz MUVKBKFUYKDGGC-MSOLQXFVSA-N 0 3 328.387 2.296 40 0 EEABHN Cn1nccc1CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000097095014 463321529 /nfs/dbraw/zinc/32/15/29/463321529.db2.gz PDOJJPDFBZHFPG-ROUUACIJSA-N 0 3 348.878 2.278 40 0 EEABHN CN(C)C(=O)c1ccc(F)c(NC(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000084722096 463624282 /nfs/dbraw/zinc/62/42/82/463624282.db2.gz UQOVDUDGUYAKKF-CQSZACIVSA-N 0 3 348.422 2.230 40 0 EEABHN CN1CC[C@@H](c2nc(CNC(=O)c3cnc4ccccc4c3)c[nH]2)C1 ZINC000257294809 463766065 /nfs/dbraw/zinc/76/60/65/463766065.db2.gz QVVJNAMYQXHPJN-CQSZACIVSA-N 0 3 335.411 2.307 40 0 EEABHN Cc1cc(C)n(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C)C3)n1 ZINC000257298773 463767757 /nfs/dbraw/zinc/76/77/57/463767757.db2.gz RNGCUJCBGRXDHO-MJQMVNBJSA-N 0 3 330.476 2.364 40 0 EEABHN COCCNCC(=O)N[C@@H]1CCCOc2c3ccccc3ccc21 ZINC000195543699 464074706 /nfs/dbraw/zinc/07/47/06/464074706.db2.gz JOKQUHYKVNXJTF-QGZVFWFLSA-N 0 3 328.412 2.406 40 0 EEABHN CN(C(=O)c1ccncc1Cl)C1CCN(CCn2cccn2)CC1 ZINC000239882327 464444844 /nfs/dbraw/zinc/44/48/44/464444844.db2.gz DBEJGYVDGBFLSA-UHFFFAOYSA-N 0 3 347.850 2.168 40 0 EEABHN O=C([C@H]1CCCO1)N1CCC[C@@]2(CCCN2Cc2cccnc2)C1 ZINC000247965019 464718202 /nfs/dbraw/zinc/71/82/02/464718202.db2.gz YYIJXDFCNSPPBH-IEBWSBKVSA-N 0 3 329.444 2.218 40 0 EEABHN CN(Cc1ccccn1)[C@H]1CO[C@@]2(CCN(Cc3ccncc3)C2)C1 ZINC000248122883 464732870 /nfs/dbraw/zinc/73/28/70/464732870.db2.gz NPCSWIDYDJIEDJ-UXHICEINSA-N 0 3 338.455 2.342 40 0 EEABHN COc1ccc2ccccc2c1CN1C[C@@H](CC(N)=O)[C@@H](OC)C1 ZINC000585279081 469004300 /nfs/dbraw/zinc/00/43/00/469004300.db2.gz SPWHWUPLXFAXTF-KDOFPFPSSA-N 0 3 328.412 2.171 40 0 EEABHN C[C@H]1CN(C(=O)NCC2CCN(Cc3ccccc3F)CC2)CCO1 ZINC000078657138 202398990 /nfs/dbraw/zinc/39/89/90/202398990.db2.gz PFWGCQBBYQCEEU-HNNXBMFYSA-N 0 3 349.450 2.468 40 0 EEABHN CSc1cccc(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000076329757 202387587 /nfs/dbraw/zinc/38/75/87/202387587.db2.gz TZHVUJLLRBPHMO-CQSZACIVSA-N 0 3 336.505 2.414 40 0 EEABHN CNCC(=O)N1CCC[C@H]1c1cncc(Oc2ccccc2F)n1 ZINC000072363315 203206587 /nfs/dbraw/zinc/20/65/87/203206587.db2.gz QGYOOGMKPBRDBI-AWEZNQCLSA-N 0 3 330.363 2.291 40 0 EEABHN NCC(=O)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1 ZINC000072363190 203206658 /nfs/dbraw/zinc/20/66/58/203206658.db2.gz CMAPLUQUGLTAHC-UHFFFAOYSA-N 0 3 330.363 2.073 40 0 EEABHN Cc1cccc(C)c1C[N@@H+]1CCOC[C@@H](Cc2cc(=O)[n-]cn2)C1 ZINC000257260529 244347258 /nfs/dbraw/zinc/34/72/58/244347258.db2.gz LDGWAUHRFJNNNT-INIZCTEOSA-N 0 3 327.428 2.490 40 0 EEABHN Cc1cccc(C)c1C[N@H+]1CCOC[C@@H](Cc2cc(=O)[n-]cn2)C1 ZINC000257260529 244347264 /nfs/dbraw/zinc/34/72/64/244347264.db2.gz LDGWAUHRFJNNNT-INIZCTEOSA-N 0 3 327.428 2.490 40 0 EEABHN CN(C)CCOC[C@H]1Cn2ccnc2CN(Cc2cccc(F)c2)C1 ZINC000096187825 203857531 /nfs/dbraw/zinc/85/75/31/203857531.db2.gz STDWMXLCMWNXJM-QGZVFWFLSA-N 0 3 346.450 2.232 40 0 EEABHN CC(C)C(=O)N1CC[C@H]2[C@H](C[C@@H](CN(C)C)N2c2nccs2)C1 ZINC000107203069 204227569 /nfs/dbraw/zinc/22/75/69/204227569.db2.gz DSLZDAGZGLFKSP-ILXRZTDVSA-N 0 3 336.505 2.157 40 0 EEABHN Cc1cccc(CN2C[C@@H]3C(=O)N(Cc4ccncc4)CC[C@@H]3C2)n1 ZINC000107254404 204230429 /nfs/dbraw/zinc/23/04/29/204230429.db2.gz RBMJOCSMYXWDIX-MJGOQNOKSA-N 0 3 336.439 2.266 40 0 EEABHN O=C(NC1CC2(C1)CCN(Cc1ccccn1)CC2)c1cnccn1 ZINC000108525283 204265398 /nfs/dbraw/zinc/26/53/98/204265398.db2.gz OPWRSTCCTKWSSM-UHFFFAOYSA-N 0 3 337.427 2.046 40 0 EEABHN Cc1noc(C2CCN(C(=O)NC[C@H]3N(C)CCCC3(C)C)CC2)n1 ZINC000363992975 165000010 /nfs/dbraw/zinc/00/00/10/165000010.db2.gz IAXVQWAAXKVMNW-OAHLLOKOSA-N 0 3 349.479 2.387 40 0 EEABHN CN(C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)C1=CCCC1)C2 ZINC000096039581 289170795 /nfs/dbraw/zinc/17/07/95/289170795.db2.gz KDXZELRJWQGADC-PKOBYXMFSA-N 0 3 336.476 2.073 40 0 EEABHN O=C(NCC1CCN(c2ccncc2)CC1)[C@@H](O)c1ccccc1 ZINC000089393561 462674406 /nfs/dbraw/zinc/67/44/06/462674406.db2.gz LPBIDCGGYAKCCV-SFHVURJKSA-N 0 3 325.412 2.148 40 0 EEABHN CC[C@H](CN1CCCC1)NC(=O)Cc1cc(C(C)=O)ccc1OC ZINC000012362872 462851482 /nfs/dbraw/zinc/85/14/82/462851482.db2.gz SAPXWOXENLBZGS-QGZVFWFLSA-N 0 3 332.444 2.431 40 0 EEABHN CC[C@H](NCCS(=O)(=O)N1CCSCC1)c1cccs1 ZINC000155768709 462940090 /nfs/dbraw/zinc/94/00/90/462940090.db2.gz NDWXLLCQYUKHMM-LBPRGKRZSA-N 0 3 334.532 2.167 40 0 EEABHN COc1cccc(CNC(=O)CN[C@@](C)(CO)C2CCCCC2)c1 ZINC000077657033 463018003 /nfs/dbraw/zinc/01/80/03/463018003.db2.gz LZLUCNGQFNYXER-IBGZPJMESA-N 0 3 334.460 2.232 40 0 EEABHN CCN1CC[C@H](c2cc(C(=O)NCc3ccccc3OC)[nH]n2)C1 ZINC000019707780 463021162 /nfs/dbraw/zinc/02/11/62/463021162.db2.gz VOFKZYBVKQFJCS-AWEZNQCLSA-N 0 3 328.416 2.158 40 0 EEABHN O=C(c1cnccn1)N1CC[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000096054156 463157032 /nfs/dbraw/zinc/15/70/32/463157032.db2.gz DSDYIMSVMZZISA-HZPDHXFCSA-N 0 3 340.402 2.210 40 0 EEABHN c1c2c(nn1Cc1ccccn1)[C@@H](CNCc1ccncc1)OCC2 ZINC000096059791 463160594 /nfs/dbraw/zinc/16/05/94/463160594.db2.gz MZUFTIODACOGDM-GOSISDBHSA-N 0 3 335.411 2.125 40 0 EEABHN CC(C)NC(=O)CCCC(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000079001718 463177304 /nfs/dbraw/zinc/17/73/04/463177304.db2.gz NUWQSWLOMCUBSX-INIZCTEOSA-N 0 3 331.460 2.201 40 0 EEABHN CCN(C(=O)[C@@H](N)C(C)C)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079393297 463210115 /nfs/dbraw/zinc/21/01/15/463210115.db2.gz CWEZWKAJFYIAEM-SJORKVTESA-N 0 3 347.459 2.229 40 0 EEABHN CC(C)[C@H](N)C(=O)N(C)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079393281 463210938 /nfs/dbraw/zinc/21/09/38/463210938.db2.gz SKEBLDPPOYIJRO-KRWDZBQOSA-N 0 3 347.459 2.229 40 0 EEABHN CC(C)[C@H](N)C(=O)N(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000079391484 463211050 /nfs/dbraw/zinc/21/10/50/463211050.db2.gz YTPCZHDEUMIJKP-HIFRSBDPSA-N 0 3 339.480 2.218 40 0 EEABHN CC(C)N(C(=O)OCc1ccccc1)C1CCC(NC(=O)CN)CC1 ZINC000079412528 463211564 /nfs/dbraw/zinc/21/15/64/463211564.db2.gz UUVNEFRGHOGDSQ-UHFFFAOYSA-N 0 3 347.459 2.420 40 0 EEABHN COc1cccc(CCCN2CCN([C@@H]3CCCN(C)C3)CC2)c1 ZINC000096424370 463254965 /nfs/dbraw/zinc/25/49/65/463254965.db2.gz WIGKUFFABFMUPH-LJQANCHMSA-N 0 3 331.504 2.340 40 0 EEABHN COc1cccc(CNC(=O)CN(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000096443449 463268071 /nfs/dbraw/zinc/26/80/71/463268071.db2.gz VOFVFDBSTNGQAG-JQHSSLGASA-N 0 3 332.444 2.057 40 0 EEABHN CN(Cc1cc2ccccc2o1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000096446117 463270750 /nfs/dbraw/zinc/27/07/50/463270750.db2.gz ACVWVNSAOALUQE-NVXWUHKLSA-N 0 3 343.427 2.437 40 0 EEABHN COc1cc(C(=O)N2CCCN(C3CCOCC3)CC2)ccc1F ZINC000096476112 463279912 /nfs/dbraw/zinc/27/99/12/463279912.db2.gz OADQJTPDSPTLNG-UHFFFAOYSA-N 0 3 336.407 2.161 40 0 EEABHN CC(C)[C@H](NCc1cccc2cccnc21)C(=O)N1CCOCC1 ZINC000084053189 463574749 /nfs/dbraw/zinc/57/47/49/463574749.db2.gz DLONOQKQLJOPNN-KRWDZBQOSA-N 0 3 327.428 2.208 40 0 EEABHN CNc1cc(C)nc([C@@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)c1 ZINC000257344598 463787092 /nfs/dbraw/zinc/78/70/92/463787092.db2.gz ZXYPCGUGYVJZIP-KRWDZBQOSA-N 0 3 344.415 2.179 40 0 EEABHN CCN1CCCC[C@@H]1CNC(=O)c1ccccc1S[C@@H](C)C(N)=O ZINC000240555636 464448180 /nfs/dbraw/zinc/44/81/80/464448180.db2.gz GWUFHWLILHWLEH-UONOGXRCSA-N 0 3 349.500 2.257 40 0 EEABHN COc1ccc(CCC(=O)NCC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000575609112 468147700 /nfs/dbraw/zinc/14/77/00/468147700.db2.gz YGHXOOILWLIVPQ-SFHVURJKSA-N 0 3 346.471 2.245 40 0 EEABHN Cc1ccc([C@H](CN[C@H]2CCCc3nn(C)cc32)N2CCOCC2)o1 ZINC000684554216 485923377 /nfs/dbraw/zinc/92/33/77/485923377.db2.gz ZDZVERMZVLODLZ-WMZOPIPTSA-N 0 3 344.459 2.362 40 0 EEABHN CCCn1ncc(C[N@H+]2C[C@@H]3c4nc(C)[n-]c(=O)c4CC[C@@H]3C2)c1C ZINC000019525962 202010048 /nfs/dbraw/zinc/01/00/48/202010048.db2.gz ZELKLCOHIZDEIJ-PBHICJAKSA-N 0 3 341.459 2.155 40 0 EEABHN CCCn1ncc(C[N@@H+]2C[C@@H]3c4nc(C)[n-]c(=O)c4CC[C@@H]3C2)c1C ZINC000019525962 202010049 /nfs/dbraw/zinc/01/00/49/202010049.db2.gz ZELKLCOHIZDEIJ-PBHICJAKSA-N 0 3 341.459 2.155 40 0 EEABHN CN1CCc2nc([C@H]3CCN(C(=O)C4CCCCC4)C3)ncc2C1 ZINC000019590593 202012869 /nfs/dbraw/zinc/01/28/69/202012869.db2.gz YAFYZRZQFGCJGO-HNNXBMFYSA-N 0 3 328.460 2.361 40 0 EEABHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@@H]2c2ccco2)n1 ZINC000225820510 242053622 /nfs/dbraw/zinc/05/36/22/242053622.db2.gz QPAXMTBDFPZSBD-GFCCVEGCSA-N 0 3 332.408 2.031 40 0 EEABHN Cc1nc(N2CCOCC2)ccc1NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000095429622 218372905 /nfs/dbraw/zinc/37/29/05/218372905.db2.gz HHTKKTCHXFIKJL-LZWOXQAQSA-N 0 3 346.475 2.426 40 0 EEABHN Cc1cc([C@@H](C)N[C@H](C)C(=O)N2CCC(C(N)=O)CC2)c(C)s1 ZINC000097373658 219017651 /nfs/dbraw/zinc/01/76/51/219017651.db2.gz ILCYVKIFKYBJRH-VXGBXAGGSA-N 0 3 337.489 2.128 40 0 EEABHN COC(=O)C1=NOC2(C1)CCN(C[C@@H](OC)c1ccccc1)CC2 ZINC000252502251 277311333 /nfs/dbraw/zinc/31/13/33/277311333.db2.gz UOOBAWIZIANQRA-MRXNPFEDSA-N 0 3 332.400 2.158 40 0 EEABHN Cn1ccnc1[C@@H](O)C1CCN(CCC(=O)Nc2ccccc2)CC1 ZINC000089925220 462742874 /nfs/dbraw/zinc/74/28/74/462742874.db2.gz BBBHNEBCDWCALA-SFHVURJKSA-N 0 3 342.443 2.194 40 0 EEABHN Cc1ccc2c(c1)CN(C(=O)[C@@H]1CCCO1)CC1(CCN(C)CC1)O2 ZINC000012365215 462852004 /nfs/dbraw/zinc/85/20/04/462852004.db2.gz AZWSRACEAKVFHH-SFHVURJKSA-N 0 3 344.455 2.359 40 0 EEABHN c1cc(CN2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)co1 ZINC000096055162 463155940 /nfs/dbraw/zinc/15/59/40/463155940.db2.gz BKVRCSYEJCNBNH-RTBURBONSA-N 0 3 327.428 2.398 40 0 EEABHN Cc1cccc(CO[C@H]2C[C@H]3CN(Cc4ccoc4)CCN3C2)n1 ZINC000096055073 463156934 /nfs/dbraw/zinc/15/69/34/463156934.db2.gz YAVXUCQFGVCVGC-OALUTQOASA-N 0 3 327.428 2.458 40 0 EEABHN c1csc(CNC[C@H]2COCc3c(-c4ccsc4)nnn3C2)n1 ZINC000096087230 463170621 /nfs/dbraw/zinc/17/06/21/463170621.db2.gz LEPBKIUILXYMHJ-LLVKDONJSA-N 0 3 347.469 2.399 40 0 EEABHN O=C(NCc1cccnc1)[C@H]1C[C@H]2[C@H](CCN2Cc2cccs2)O1 ZINC000096183711 463196219 /nfs/dbraw/zinc/19/62/19/463196219.db2.gz KGLDMVSOTFAXJS-YESZJQIVSA-N 0 3 343.452 2.191 40 0 EEABHN COCCO[C@H]1CCN(Cc2ccsc2)[C@H]1Cc1cnn(C)c1 ZINC000096200639 463205859 /nfs/dbraw/zinc/20/58/59/463205859.db2.gz UWGRCJXPKNBUTO-IRXDYDNUSA-N 0 3 335.473 2.330 40 0 EEABHN Cc1ccc(CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NCC3CC3)C2)o1 ZINC000096208144 463210875 /nfs/dbraw/zinc/21/08/75/463210875.db2.gz UMQAJJREIMWKKJ-NXHRZFHOSA-N 0 3 332.444 2.341 40 0 EEABHN CCN(C[C@H]1CCCCN1C(=O)[C@H](C)N)C(=O)OCc1ccccc1 ZINC000079412908 463211444 /nfs/dbraw/zinc/21/14/44/463211444.db2.gz MZBKLERWMVWEIN-DOTOQJQBSA-N 0 3 347.459 2.373 40 0 EEABHN C[C@H](N)C(=O)N(Cc1ccccc1I)C1CC1 ZINC000079420962 463213101 /nfs/dbraw/zinc/21/31/01/463213101.db2.gz WEIJDXUCAGFUJH-VIFPVBQESA-N 0 3 344.196 2.129 40 0 EEABHN COCC(=O)N[C@H]1COCCC12CCN(Cc1ccc(C)cc1)CC2 ZINC000096217058 463215427 /nfs/dbraw/zinc/21/54/27/463215427.db2.gz TXHBVWMFJLUXQF-SFHVURJKSA-N 0 3 346.471 2.129 40 0 EEABHN CCOC(=O)CN1CC[C@@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216442 463215489 /nfs/dbraw/zinc/21/54/89/463215489.db2.gz YNADHSARQSWVJR-FQEVSTJZSA-N 0 3 346.471 2.416 40 0 EEABHN Cn1cc(CNC[C@H]2Cn3c(-c4ccc(F)cc4)cnc3CO2)cn1 ZINC000096296382 463234061 /nfs/dbraw/zinc/23/40/61/463234061.db2.gz HOIHBWUSOYVJSW-INIZCTEOSA-N 0 3 341.390 2.111 40 0 biogenic,in-vitro EEABHN COCCCN1CCC(NC(=O)[C@@H]2CSc3ccccc32)CC1 ZINC000096411224 463244134 /nfs/dbraw/zinc/24/41/34/463244134.db2.gz XNHIBSJEUUQHEQ-MRXNPFEDSA-N 0 3 334.485 2.493 40 0 EEABHN CC[C@H](NC(=O)N[C@@H]1CCN(CCOC)C1)c1cc(F)ccc1F ZINC000096419936 463251940 /nfs/dbraw/zinc/25/19/40/463251940.db2.gz JHSRKXVLINJOAI-CJNGLKHVSA-N 0 3 341.402 2.436 40 0 EEABHN CN1CCC[C@H](CNS(=O)(=O)Cc2ccon2)[C@@H]1c1ccccc1 ZINC000096428011 463257781 /nfs/dbraw/zinc/25/77/81/463257781.db2.gz FHHCXUCJOCUOQQ-WBVHZDCISA-N 0 3 349.456 2.177 40 0 EEABHN CC(C)N1CC[C@@H](Nc2ccccc2CN2CCC(CO)CC2)C1=O ZINC000096459074 463276548 /nfs/dbraw/zinc/27/65/48/463276548.db2.gz WBYVTNBIRMMCNI-LJQANCHMSA-N 0 3 345.487 2.312 40 0 EEABHN CCNC(=O)N1CC[C@H](N[C@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000096490333 463286918 /nfs/dbraw/zinc/28/69/18/463286918.db2.gz IUJULEMPNGOJFJ-QAPCUYQASA-N 0 3 341.459 2.386 40 0 EEABHN Cc1cccn2cc(CCN[C@H]3CCCC[C@@H]3S(C)(=O)=O)nc12 ZINC000096491684 463287276 /nfs/dbraw/zinc/28/72/76/463287276.db2.gz AYSWSKFUXZGFIL-HOTGVXAUSA-N 0 3 335.473 2.131 40 0 EEABHN CC(C)(C)c1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)c1 ZINC000257288482 463763414 /nfs/dbraw/zinc/76/34/14/463763414.db2.gz PUJGPYXSYLWMHD-JFIYKMOQSA-N 0 3 346.471 2.407 40 0 EEABHN C[C@@H]([NH3+])CC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000178914401 464012672 /nfs/dbraw/zinc/01/26/72/464012672.db2.gz JCDJMELXEXBJIY-SSDOTTSWSA-N 0 3 341.658 2.118 40 0 EEABHN Cc1cn2c(n1)CC[C@@H](N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1)C2 ZINC000195561612 464077976 /nfs/dbraw/zinc/07/79/76/464077976.db2.gz DGRXODPOKJJDIO-JKSUJKDBSA-N 0 3 347.484 2.267 40 0 EEABHN CN1CC[C@H](COc2ccccn2)CC12CN(Cc1cccnc1)C2 ZINC000248157527 464735412 /nfs/dbraw/zinc/73/54/12/464735412.db2.gz WEIIHNIVOYJKFE-KRWDZBQOSA-N 0 3 338.455 2.452 40 0 EEABHN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2NC[C@H](C)CO)cc1 ZINC000248533378 464761795 /nfs/dbraw/zinc/76/17/95/464761795.db2.gz ZBZPKPVXZXDFMW-BHYGNILZSA-N 0 3 325.474 2.298 40 0 EEABHN CN1CCN(CC2CCN(C(=O)NCCC3=CCCC3)CC2)CC1 ZINC000192200372 464885485 /nfs/dbraw/zinc/88/54/85/464885485.db2.gz ATVFQRIELHCLLX-UHFFFAOYSA-N 0 3 334.508 2.156 40 0 EEABHN CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2CN(CC3CC3)CCN21 ZINC000253405605 465002311 /nfs/dbraw/zinc/00/23/11/465002311.db2.gz SRDXQDDKRHWSAI-INIZCTEOSA-N 0 3 345.462 2.456 40 0 biogenic,in-vitro EEABHN CC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2cccs2)nn1C ZINC000008635431 692139678 /nfs/dbraw/zinc/13/96/78/692139678.db2.gz KCMJXWHIEPVNEW-ZNMIVQPWSA-N 0 3 344.484 2.463 40 0 biogenic,in-vitro EEABHN CN(C)C1(CN(C)C(=O)NCc2ccc([S@@](C)=O)cc2)CCC1 ZINC000187289561 236169389 /nfs/dbraw/zinc/16/93/89/236169389.db2.gz DRYZBGXBWWXDOR-HSZRJFAPSA-N 0 3 337.489 2.050 40 0 EEABHN Cc1nc2c(c(=O)[n-]1)C[N@H+](C[C@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC000072347456 216160233 /nfs/dbraw/zinc/16/02/33/216160233.db2.gz DZEXOQSMZLMXCF-GFCCVEGCSA-N 0 3 341.411 2.044 40 0 EEABHN Cc1nc2c(c(=O)[n-]1)C[N@@H+](C[C@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC000072347456 216160236 /nfs/dbraw/zinc/16/02/36/216160236.db2.gz DZEXOQSMZLMXCF-GFCCVEGCSA-N 0 3 341.411 2.044 40 0 EEABHN Cc1nc(CNC(=O)CCN2CCN(c3ccccc3)CC2)oc1C ZINC000073026582 216341299 /nfs/dbraw/zinc/34/12/99/216341299.db2.gz WUNVYGQWLBISMV-UHFFFAOYSA-N 0 3 342.443 2.120 40 0 EEABHN O[C@H](CN1CCC(CNc2ncc(F)cn2)CC1)c1ccccc1 ZINC000242196993 243013403 /nfs/dbraw/zinc/01/34/03/243013403.db2.gz XGSRZYMRLMGELF-QGZVFWFLSA-N 0 3 330.407 2.473 40 0 EEABHN Cn1nccc1CCN(CCO)Cc1cccc(Br)c1 ZINC000242339162 243019086 /nfs/dbraw/zinc/01/90/86/243019086.db2.gz ZFJXXEJSZYVUOS-UHFFFAOYSA-N 0 3 338.249 2.220 40 0 EEABHN COc1cc([C@@H](CN)NC(=O)OC(C)(C)C)cc(OC)c1OC ZINC000019682540 212054188 /nfs/dbraw/zinc/05/41/88/212054188.db2.gz ONWFLYXEMSFXON-LLVKDONJSA-N 0 3 326.393 2.237 40 0 EEABHN CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCC(C)(C)N1CCCCC1 ZINC000042159880 258059946 /nfs/dbraw/zinc/05/99/46/258059946.db2.gz MIFURCUXUWJBMW-INIZCTEOSA-N 0 3 349.475 2.415 40 0 EEABHN COc1cccc([C@@H](N)[C@H](O)c2cccc(OC)c2OC)c1OC ZINC000001667019 462585392 /nfs/dbraw/zinc/58/53/92/462585392.db2.gz NQCYRUZEDDWTHR-HZPDHXFCSA-N 0 3 333.384 2.454 40 0 EEABHN CCOC(=O)[C@H]1CCCN(C[C@H](O)COc2ccccc2Cl)C1 ZINC000006327391 462683114 /nfs/dbraw/zinc/68/31/14/462683114.db2.gz QYSZQHCAOHQUST-KBPBESRZSA-N 0 3 341.835 2.355 40 0 EEABHN CN(Cc1ccccc1)CC(C)(C)NC(=O)NC1CCC(O)CC1 ZINC000095435976 463084760 /nfs/dbraw/zinc/08/47/60/463084760.db2.gz FPUTZBKWPIDZQN-UHFFFAOYSA-N 0 3 333.476 2.500 40 0 EEABHN Cc1cc(CN2CC[C@H]3OCC[C@@]3(C(=O)N3CCCO3)C2)oc1C ZINC000096038840 463143647 /nfs/dbraw/zinc/14/36/47/463143647.db2.gz UYYFFUGGVIOLFZ-SJLPKXTDSA-N 0 3 334.416 2.041 40 0 EEABHN O=C(NC1CCC1)[C@@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@@H]2O1 ZINC000096041005 463145286 /nfs/dbraw/zinc/14/52/86/463145286.db2.gz JTGLGFHVUFLEMT-WDSOQIARSA-N 0 3 328.456 2.377 40 0 EEABHN Cc1ccc(CN2CCC3(CCCN3S(C)(=O)=O)CC2)s1 ZINC000096049348 463152825 /nfs/dbraw/zinc/15/28/25/463152825.db2.gz GIKGGERFXNSMKR-UHFFFAOYSA-N 0 3 328.503 2.447 40 0 EEABHN O=C(NC[C@]12COC[C@H]1CN(Cc1cccc(F)c1)C2)c1ccco1 ZINC000096108453 463176771 /nfs/dbraw/zinc/17/67/71/463176771.db2.gz VIZSFLMMZAHUFJ-BEFAXECRSA-N 0 3 344.386 2.297 40 0 EEABHN c1cc(COC[C@]23COC[C@H]2CN(Cc2ccncc2)C3)ccn1 ZINC000096108952 463177570 /nfs/dbraw/zinc/17/75/70/463177570.db2.gz RZWSBCVXMRWRQH-RTBURBONSA-N 0 3 325.412 2.142 40 0 EEABHN Cn1cc(CN2CC[C@H]3OCC[C@@]3(COCc3ccncc3)C2)cn1 ZINC000096110405 463178004 /nfs/dbraw/zinc/17/80/04/463178004.db2.gz HWOUGFKBTJDSLT-MOPGFXCFSA-N 0 3 342.443 2.013 40 0 EEABHN Cn1cccc1CN1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 ZINC000096159119 463191075 /nfs/dbraw/zinc/19/10/75/463191075.db2.gz LRQFEAYWZPLEJC-UHFFFAOYSA-N 0 3 339.439 2.423 40 0 EEABHN c1cc(CNC[C@H]2Cn3nnc(-c4ccncc4)c3CO2)cs1 ZINC000096199249 463204393 /nfs/dbraw/zinc/20/43/93/463204393.db2.gz ARTSGVGTBBPCHR-AWEZNQCLSA-N 0 3 327.413 2.090 40 0 EEABHN O=C(c1ccncc1)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096245569 463225750 /nfs/dbraw/zinc/22/57/50/463225750.db2.gz YIVMJKTXSOZJJL-IRXDYDNUSA-N 0 3 325.387 2.425 40 0 EEABHN C[C@H](Cn1cc(Br)cn1)NC[C@](C)(O)c1ccco1 ZINC000096478480 463281693 /nfs/dbraw/zinc/28/16/93/463281693.db2.gz PKDHKITXUOAPAG-MFKMUULPSA-N 0 3 328.210 2.124 40 0 EEABHN O=S(=O)(NCC1CCN(c2ccncc2)CC1)c1cccs1 ZINC000070922033 463393152 /nfs/dbraw/zinc/39/31/52/463393152.db2.gz RZCPLCBEYKKLFK-UHFFFAOYSA-N 0 3 337.470 2.338 40 0 EEABHN CC(C)CC[N@@H+]1CCc2c(nc(N3C[C@@H](C)O[C@H](C)C3)[n-]c2=O)C1 ZINC000072335563 463509563 /nfs/dbraw/zinc/50/95/63/463509563.db2.gz WWMSGKVGZSKMEB-ZIAGYGMSSA-N 0 3 334.464 2.200 40 0 EEABHN CC(C)CC[N@H+]1CCc2c(nc(N3C[C@@H](C)O[C@H](C)C3)[n-]c2=O)C1 ZINC000072335563 463509566 /nfs/dbraw/zinc/50/95/66/463509566.db2.gz WWMSGKVGZSKMEB-ZIAGYGMSSA-N 0 3 334.464 2.200 40 0 EEABHN O=C(NC[C@@H]1CCCO1)NCC1CCN(Cc2cccs2)CC1 ZINC000057775400 463517410 /nfs/dbraw/zinc/51/74/10/463517410.db2.gz CTRCMVAPKYKBBW-HNNXBMFYSA-N 0 3 337.489 2.438 40 0 EEABHN CC(C)NC(=O)[C@H]1C[C@H]2OCC[C@H]2N(CCOCc2ccccc2)C1 ZINC000107715222 463580131 /nfs/dbraw/zinc/58/01/31/463580131.db2.gz QIGHVBKFRDBESY-IPMKNSEASA-N 0 3 346.471 2.207 40 0 EEABHN Cc1c(F)cccc1CN1CCC2(CC(NS(C)(=O)=O)C2)C1 ZINC000108527271 463610409 /nfs/dbraw/zinc/61/04/09/463610409.db2.gz VMJSSCBAOIQNEV-UHFFFAOYSA-N 0 3 326.437 2.038 40 0 EEABHN Cc1nccc([C@H]2CCCN2C(=O)CCN(C)Cc2cccnc2)n1 ZINC000257298633 463767630 /nfs/dbraw/zinc/76/76/30/463767630.db2.gz RMPOSUUSHIBRLL-GOSISDBHSA-N 0 3 339.443 2.366 40 0 EEABHN CNc1nc([C@H]2CCN(CC(C)(C)C)C2)nc2c1CCN(C(C)=O)C2 ZINC000257330592 463781001 /nfs/dbraw/zinc/78/10/01/463781001.db2.gz XPABWEWPGAQNIB-AWEZNQCLSA-N 0 3 345.491 2.258 40 0 EEABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)C2)c1 ZINC000257336636 463784528 /nfs/dbraw/zinc/78/45/28/463784528.db2.gz YPHNMOZTCMTZAZ-MRXNPFEDSA-N 0 3 344.459 2.006 40 0 EEABHN N[C@@H](CC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccccc1 ZINC000225444995 464161262 /nfs/dbraw/zinc/16/12/62/464161262.db2.gz ZTWKRPAEWCPCTN-HNNXBMFYSA-N 0 3 343.452 2.123 40 0 EEABHN COc1ccccc1OC[C@@H](C)CNC(=O)N1CCN2CCC1CC2 ZINC000225460774 464162676 /nfs/dbraw/zinc/16/26/76/464162676.db2.gz XSYJQOAYAQWMPO-HNNXBMFYSA-N 0 3 347.459 2.200 40 0 EEABHN CN1CCN(CCC(C)(C)NC(=O)c2cccc3c2CCC3)CC1 ZINC000192598272 464955350 /nfs/dbraw/zinc/95/53/50/464955350.db2.gz LINNYDFRROZSIP-UHFFFAOYSA-N 0 3 329.488 2.321 40 0 EEABHN COC(=O)Cc1ccnc(N[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000252490551 464966390 /nfs/dbraw/zinc/96/63/90/464966390.db2.gz KWURGENBRXXILN-QGZVFWFLSA-N 0 3 340.427 2.269 40 0 EEABHN Cc1cccc(CN2CCC(N3C(=O)[C@H]4CCCN4C3=O)CC2)c1 ZINC000253427790 465011805 /nfs/dbraw/zinc/01/18/05/465011805.db2.gz AUOPIFZMFPTRSF-QGZVFWFLSA-N 0 3 327.428 2.386 40 0 EEABHN Cn1ncnc1CN[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000390834791 467415137 /nfs/dbraw/zinc/41/51/37/467415137.db2.gz ZBTUFMWCRRVZPY-KRWDZBQOSA-N 0 3 327.476 2.378 40 0 EEABHN Cc1occc1C(=O)N1Cc2ccnn2CC[C@@H]1CN1CCCC1 ZINC000585096952 468964327 /nfs/dbraw/zinc/96/43/27/468964327.db2.gz FWYGABQFPOPMKV-OAHLLOKOSA-N 0 3 328.416 2.295 40 0 EEABHN CC(=O)N[C@H]1CCCN(Cc2c(C)cnn2C)[C@H]1Cc1ccccc1 ZINC000585279178 469004701 /nfs/dbraw/zinc/00/47/01/469004701.db2.gz WVTSJCFKKWWVJJ-OALUTQOASA-N 0 3 340.471 2.440 40 0 EEABHN CCCn1ncc(CN2C[C@H](c3ccccc3C)[C@@H](O)[C@H]2CO)c1C ZINC000585295290 469011312 /nfs/dbraw/zinc/01/13/12/469011312.db2.gz TVPLVWFXPCBWIU-VAMGGRTRSA-N 0 3 343.471 2.231 40 0 EEABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OCC(C)C)cc1 ZINC000408708515 529102936 /nfs/dbraw/zinc/10/29/36/529102936.db2.gz JHDXXAANVBXSFJ-INIZCTEOSA-N 0 3 347.459 2.260 40 0 EEABHN Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCCN2C(=O)CN)n1 ZINC000257206743 282378696 /nfs/dbraw/zinc/37/86/96/282378696.db2.gz BETBPIKBFKJFFQ-AWEZNQCLSA-N 0 3 329.404 2.069 40 0 EEABHN Cn1cnc(CNC(=O)C2(Cc3cccc(F)c3)CCN(C)CC2)c1 ZINC000257248760 244263137 /nfs/dbraw/zinc/26/31/37/244263137.db2.gz JFBWLCQFLVSGKL-UHFFFAOYSA-N 0 3 344.434 2.130 40 0 EEABHN CC(=O)N1CCc2nnc([C@@H]3CCCN3CC3CCCCC3)n2CC1 ZINC000019706385 212056029 /nfs/dbraw/zinc/05/60/29/212056029.db2.gz AMYVLSOBTVCIBH-KRWDZBQOSA-N 0 3 345.491 2.400 40 0 EEABHN CC(C(=O)N1C[C@@H](C)O[C@H](C)C1)S(=O)(=O)CC1CCCCC1 ZINC000078556410 217077522 /nfs/dbraw/zinc/07/75/22/217077522.db2.gz ZQQLXBHAOOHJIO-MGPQQGTHSA-N 0 3 331.478 2.006 40 0 EEABHN CC(C)N(C[C@H]1CCN(C(=O)[C@H](C)N)C1)C(=O)OCc1ccccc1 ZINC000079412952 217221651 /nfs/dbraw/zinc/22/16/51/217221651.db2.gz BIMDVPJOSXEJLP-RDJZCZTQSA-N 0 3 347.459 2.229 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CC[C@@H](CN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC000079427491 217223481 /nfs/dbraw/zinc/22/34/81/217223481.db2.gz DGOPAOSTOKMUHS-HIFRSBDPSA-N 0 3 339.480 2.218 40 0 EEABHN COCCN1CCC2(CC1)CN(C(C)=O)Cc1cc(C)ccc1O2 ZINC000012365552 211357067 /nfs/dbraw/zinc/35/70/67/211357067.db2.gz SIYPYIXDCWQQFW-UHFFFAOYSA-N 0 3 332.444 2.217 40 0 EEABHN CN(C)C[C@@H]1CSCCCN1C(=O)NCc1ccc(F)cc1 ZINC000090608937 217944335 /nfs/dbraw/zinc/94/43/35/217944335.db2.gz ZQUVNFYRFQRFBX-OAHLLOKOSA-N 0 3 325.453 2.404 40 0 EEABHN Cc1ccc([C@]2(O)CCC[C@H]3CN(Cc4cnc(N)nc4)C[C@@H]32)cc1 ZINC000012186316 211313790 /nfs/dbraw/zinc/31/37/90/211313790.db2.gz COVSVXKTEGLWQD-XKGZKEIXSA-N 0 3 338.455 2.487 40 0 EEABHN O=S(=O)([C@H]1CCN(Cc2cccc3[nH]ccc32)C1)N1CCCC1 ZINC000092045052 218109651 /nfs/dbraw/zinc/10/96/51/218109651.db2.gz DBVWAIARDCMUOY-HNNXBMFYSA-N 0 3 333.457 2.168 40 0 EEABHN CCN1CCC[C@H]1CNC(=O)Nc1c[nH]c2cc(OC)ccc2c1=O ZINC000004908302 210319534 /nfs/dbraw/zinc/31/95/34/210319534.db2.gz QOJHOIVDJGXLJN-LBPRGKRZSA-N 0 3 344.415 2.143 40 0 EEABHN CC(C)N(C(=O)OC(C)(C)C)C1CCC(NC(=O)[C@H](C)N)CC1 ZINC000079409832 279299283 /nfs/dbraw/zinc/29/92/83/279299283.db2.gz TXZNHQJZIQDLKR-HSBZDZAISA-N 0 3 327.469 2.407 40 0 EEABHN Cn1cc(CNC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)cn1 ZINC000097102268 323321222 /nfs/dbraw/zinc/32/12/22/323321222.db2.gz VZGCKLMEWOWJOK-IBGZPJMESA-N 0 3 341.459 2.274 40 0 EEABHN COc1ccc2c(c1)OCC[C@H]2NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000074661968 462621362 /nfs/dbraw/zinc/62/13/62/462621362.db2.gz GNQNLYZGJAYOCX-RHSMWYFYSA-N 0 3 345.443 2.399 40 0 EEABHN O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccncc1 ZINC000007449553 462736715 /nfs/dbraw/zinc/73/67/15/462736715.db2.gz YXQFKHCIHOKDJB-KRWDZBQOSA-N 0 3 334.379 2.027 40 0 EEABHN Cc1nccn1-c1ccc([C@@H](C)NC[C@H]2CCCS2(=O)=O)cc1 ZINC000090467130 462793026 /nfs/dbraw/zinc/79/30/26/462793026.db2.gz VQDKHQMLRYECNV-CXAGYDPISA-N 0 3 333.457 2.409 40 0 EEABHN COc1ccc(NCc2n[nH]c([C@H](N)c3ccc(OC)cc3)n2)cc1 ZINC000095533687 463106729 /nfs/dbraw/zinc/10/67/29/463106729.db2.gz AUFDATNGWVHGED-QGZVFWFLSA-N 0 3 339.399 2.482 40 0 EEABHN NS(=O)(=O)CCCN1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000078515688 463124903 /nfs/dbraw/zinc/12/49/03/463124903.db2.gz MHAKNMQTDOXOGJ-GOSISDBHSA-N 0 3 330.453 2.313 40 0 EEABHN CN1CC(=O)N(c2cccnc2)C[C@@]12CCN(Cc1ccccc1)C2 ZINC000096050181 463153597 /nfs/dbraw/zinc/15/35/97/463153597.db2.gz GXXXHMQJHXZNES-FQEVSTJZSA-N 0 3 336.439 2.005 40 0 EEABHN Cc1nc(CN2C[C@@]3(CCN(Cc4cccnc4)C3)CC2=O)cs1 ZINC000096050916 463154534 /nfs/dbraw/zinc/15/45/34/463154534.db2.gz WFWPRRYVPGAQLE-SFHVURJKSA-N 0 3 342.468 2.471 40 0 EEABHN Cc1ccc(CN2C[C@H](C(=O)NCC3CC3)C3(C2)CCOCC3)o1 ZINC000096052131 463156947 /nfs/dbraw/zinc/15/69/47/463156947.db2.gz RJWXLZHLDPCKHI-QGZVFWFLSA-N 0 3 332.444 2.343 40 0 EEABHN O=C([O-])[C@@]12CN(Cc3ccoc3)C[C@@H]1C[N@@H+](C1CCOCC1)CCC2 ZINC000096064267 463162992 /nfs/dbraw/zinc/16/29/92/463162992.db2.gz WBKNZBJUSDKZDO-APWZRJJASA-N 0 3 348.443 2.057 40 0 EEABHN O=C([O-])[C@@]12CN(Cc3ccoc3)C[C@@H]1C[N@H+](C1CCOCC1)CCC2 ZINC000096064267 463162998 /nfs/dbraw/zinc/16/29/98/463162998.db2.gz WBKNZBJUSDKZDO-APWZRJJASA-N 0 3 348.443 2.057 40 0 EEABHN O=C(NC[C@]12COC[C@H]1CN(Cc1ccc(F)cc1)C2)c1ccco1 ZINC000096108450 463177502 /nfs/dbraw/zinc/17/75/02/463177502.db2.gz HBVVWRCBXDAICV-BEFAXECRSA-N 0 3 344.386 2.297 40 0 EEABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)c1ccc3ccccc3n1)CC[C@H]2OC ZINC000096108528 463177758 /nfs/dbraw/zinc/17/77/58/463177758.db2.gz GGKFAQXVVXIWSJ-KFKAGJAMSA-N 0 3 339.439 2.416 40 0 EEABHN CCOCC(=O)N1CCC2(CCCN(Cc3ccccn3)C2)CC1 ZINC000096158507 463188372 /nfs/dbraw/zinc/18/83/72/463188372.db2.gz WBVACYKVMKCIPL-UHFFFAOYSA-N 0 3 331.460 2.323 40 0 EEABHN c1cc(CN2CC[C@@H]3[C@@H](CO[C@@H]3CNc3ncccn3)C2)cs1 ZINC000096187334 463198577 /nfs/dbraw/zinc/19/85/77/463198577.db2.gz AFDUBFLFFOFAMB-BZUAXINKSA-N 0 3 330.457 2.487 40 0 EEABHN CC(C)[C@H](CNc1nc2ccccc2cc1CO)N1CCN(C)CC1 ZINC000096429132 463259183 /nfs/dbraw/zinc/25/91/83/463259183.db2.gz CHGBCBTYKHQAJK-IBGZPJMESA-N 0 3 342.487 2.411 40 0 EEABHN CN(C)c1cccc([C@@H]2CCCN2CCCS(=O)(=O)N(C)C)c1 ZINC000096441498 463266836 /nfs/dbraw/zinc/26/68/36/463266836.db2.gz YKKLSRYOTWKJPG-KRWDZBQOSA-N 0 3 339.505 2.171 40 0 EEABHN CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000096499787 463289907 /nfs/dbraw/zinc/28/99/07/463289907.db2.gz YYZLYUARFCOPRF-ZWKOTPCHSA-N 0 3 336.524 2.234 40 0 EEABHN Fc1ccc(CN2CC[C@@]3(C[C@@H](Nc4cnccn4)CO3)C2)cc1 ZINC000107728299 463579773 /nfs/dbraw/zinc/57/97/73/463579773.db2.gz SVYTUDPYYWORCF-SJLPKXTDSA-N 0 3 328.391 2.461 40 0 EEABHN CN(CCC(=O)N1CCC[C@@H](Cc2cc[nH]n2)C1)Cc1cccnc1 ZINC000257328333 463779584 /nfs/dbraw/zinc/77/95/84/463779584.db2.gz XFESCPXEOQYXSD-INIZCTEOSA-N 0 3 341.459 2.108 40 0 EEABHN COc1ccc(CC(=O)N2CCO[C@@H](c3cc(N)cc(C)n3)C2)cc1 ZINC000257335142 463783288 /nfs/dbraw/zinc/78/32/88/463783288.db2.gz YIVSRTWYNDDERK-GOSISDBHSA-N 0 3 341.411 2.123 40 0 EEABHN CN1CCC(Cc2cccc(F)c2)(C(=O)NC2CCOCC2)CC1 ZINC000257340228 463786252 /nfs/dbraw/zinc/78/62/52/463786252.db2.gz ZFDNQDCQVKKIOH-UHFFFAOYSA-N 0 3 334.435 2.375 40 0 EEABHN CCN1CCC[C@H](NC(=O)N2CCO[C@H](c3nc(C)cs3)C2)C1 ZINC000194288950 463828450 /nfs/dbraw/zinc/82/84/50/463828450.db2.gz SENNSVGLOZDSTG-KBPBESRZSA-N 0 3 338.477 2.019 40 0 EEABHN CCOCCOc1c(Cl)cccc1NC(=O)[C@]1(F)CCNC1 ZINC000195543324 464074824 /nfs/dbraw/zinc/07/48/24/464074824.db2.gz YWAPMWPHMALJHD-HNNXBMFYSA-N 0 3 330.787 2.395 40 0 EEABHN CC[C@H](CNC(=O)NC[C@H]1CC[C@@H](O)C1)N1CCc2ccccc2C1 ZINC000195578235 464080671 /nfs/dbraw/zinc/08/06/71/464080671.db2.gz VLVRQJQHJIPWCC-KFKAGJAMSA-N 0 3 345.487 2.284 40 0 EEABHN CC(C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1)S(C)(=O)=O ZINC000188153045 464211822 /nfs/dbraw/zinc/21/18/22/464211822.db2.gz AMFIQBPMUPSXTF-JTQLQIEISA-N 0 3 349.374 2.286 40 0 EEABHN CCN(C(=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000242473336 464456981 /nfs/dbraw/zinc/45/69/81/464456981.db2.gz FGPHERTWWGZSFL-WKILWMFISA-N 0 3 333.432 2.031 40 0 EEABHN CN(Cc1ccco1)C[C@@H]1CCC2(CN(c3ncc(F)cn3)C2)OC1 ZINC000248042314 464725120 /nfs/dbraw/zinc/72/51/20/464725120.db2.gz LCZXNTKGSQKXEQ-AWEZNQCLSA-N 0 3 346.406 2.326 40 0 EEABHN Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000253376879 464996865 /nfs/dbraw/zinc/99/68/65/464996865.db2.gz VHUDIFDRYZJSJM-RYUDHWBXSA-N 0 3 330.354 2.078 40 0 EEABHN COc1ccccc1NC(=O)NCC1CCN([C@@H]2CCOC2)CC1 ZINC000575415673 468143886 /nfs/dbraw/zinc/14/38/86/468143886.db2.gz NOEXYTVZZXWMFN-OAHLLOKOSA-N 0 3 333.432 2.318 40 0 EEABHN C[C@]1(CO)C[C@@H](O)CN1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000585142367 468992156 /nfs/dbraw/zinc/99/21/56/468992156.db2.gz UVCCMBNUJUQBBO-IAQYHMDHSA-N 0 3 347.242 2.140 40 0 EEABHN COc1ccc2ccccc2c1CN1C[C@H](OC)[C@@H](CC(N)=O)C1 ZINC000585279082 469005010 /nfs/dbraw/zinc/00/50/10/469005010.db2.gz SPWHWUPLXFAXTF-KSSFIOAISA-N 0 3 328.412 2.171 40 0 EEABHN CCOC(=O)c1ccc(CNC(=O)N2CCC[C@@H](N(C)C)C2)cc1 ZINC000171658836 528215869 /nfs/dbraw/zinc/21/58/69/528215869.db2.gz OFUJCDZJUSNSRU-MRXNPFEDSA-N 0 3 333.432 2.099 40 0 EEABHN CNc1cnc(C[C@H]2CCCN(Cc3cnn(C)c3C)CC2)cn1 ZINC000257256598 536421351 /nfs/dbraw/zinc/42/13/51/536421351.db2.gz KMDZKDVPDYGUBB-HNNXBMFYSA-N 0 3 328.464 2.405 40 0 EEABHN COc1ncccc1NC(=O)[C@@H]1CN(C)[C@H]2c3ccccc3OC[C@H]21 ZINC001772595895 1178867291 /nfs/dbraw/zinc/86/72/91/1178867291.db2.gz RHAOWAHVCJKEMH-KEYYUXOJSA-N 0 3 339.395 2.340 40 0 EEABHN Cc1cc(CCC(=O)NCc2nccn2C)cc([C@H]2CCCN2C)n1 ZINC000072360569 216167240 /nfs/dbraw/zinc/16/72/40/216167240.db2.gz FHNKHKSJEQHABH-QGZVFWFLSA-N 0 3 341.459 2.139 40 0 EEABHN Cc1ccccc1NC(=O)CCN1CCN(C[C@@H]2CCCO2)CC1 ZINC000072556758 216275221 /nfs/dbraw/zinc/27/52/21/216275221.db2.gz PDJXVYUUFGUNSY-KRWDZBQOSA-N 0 3 331.460 2.120 40 0 EEABHN Cc1noc(C)c1CCC(=O)N1CCO[C@@H](c2cc(N)cc(C)n2)C1 ZINC000257268952 244370388 /nfs/dbraw/zinc/37/03/88/244370388.db2.gz MNXPBHDCCBZCII-QGZVFWFLSA-N 0 3 344.415 2.110 40 0 EEABHN CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CCCCN2)n1 ZINC000257260939 244346698 /nfs/dbraw/zinc/34/66/98/244346698.db2.gz LFDTXXDRBSWJGH-HNNXBMFYSA-N 0 3 325.416 2.123 40 0 EEABHN CC(C)(CNC(=O)c1cc(-c2cccnc2)n[nH]1)N1CCCCC1 ZINC000019657683 212054830 /nfs/dbraw/zinc/05/48/30/212054830.db2.gz HFJMQRXXKOWHEQ-UHFFFAOYSA-N 0 3 327.432 2.466 40 0 EEABHN CC(C)(C)c1ncc(/C=C/C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)s1 ZINC000079823462 217256194 /nfs/dbraw/zinc/25/61/94/217256194.db2.gz FXGDFCKNNRWKCW-AFJNRPGYSA-N 0 3 349.500 2.433 40 0 EEABHN C[C@@H](CCc1cccc(F)c1)N1CCCN(S(C)(=O)=O)CC1 ZINC000097370763 219016435 /nfs/dbraw/zinc/01/64/35/219016435.db2.gz MPDAJOIKQRWCFC-AWEZNQCLSA-N 0 3 328.453 2.114 40 0 EEABHN C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000195530049 288582258 /nfs/dbraw/zinc/58/22/58/288582258.db2.gz TZBHTXAABVQTAM-ZJPYXAASSA-N 0 3 347.503 2.110 40 0 EEABHN COc1cc(NC(=O)NCCN(C)C)cc(OC)c1Br ZINC000181670156 323352344 /nfs/dbraw/zinc/35/23/44/323352344.db2.gz LEZPXPUUJREEMK-UHFFFAOYSA-N 0 3 346.225 2.149 40 0 EEABHN C[C@@H]1CN(CCCCNC(=O)[C@@H]2COc3ccccc32)C[C@H](C)O1 ZINC000085457395 462548552 /nfs/dbraw/zinc/54/85/52/462548552.db2.gz DZILEJXSXNEGTM-HLLBOEOZSA-N 0 3 332.444 2.168 40 0 EEABHN C[C@@H]1C[C@@H](NC(=O)c2cc(O)cc(O)c2)CN1Cc1ccccc1 ZINC000152803536 462583558 /nfs/dbraw/zinc/58/35/58/462583558.db2.gz PIQCNMIKDRFIGQ-CZUORRHYSA-N 0 3 326.396 2.491 40 0 EEABHN C[C@H](NC1CC1)C(=O)Nc1ccccc1I ZINC000064875586 462726238 /nfs/dbraw/zinc/72/62/38/462726238.db2.gz QXALWRYGBVGNNV-QMMMGPOBSA-N 0 3 330.169 2.370 40 0 EEABHN O=c1c2cnc(N3CCCCC3)nc2ccn1CCN1CCCCC1 ZINC000013638612 462898345 /nfs/dbraw/zinc/89/83/45/462898345.db2.gz VECGBOXKBGHMJF-UHFFFAOYSA-N 0 3 341.459 2.268 40 0 EEABHN CN(Cc1ccco1)[C@@H]1CN(C2CCOCC2)C[C@@H]2CCCO[C@H]12 ZINC000096040679 463144766 /nfs/dbraw/zinc/14/47/66/463144766.db2.gz FEGMTQDZNQYCBN-IPELMVKDSA-N 0 3 334.460 2.370 40 0 EEABHN CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(C3CCC3)C[C@H]2O1 ZINC000096042808 463148192 /nfs/dbraw/zinc/14/81/92/463148192.db2.gz DLQOMKMXVCDXKX-BMGDILEWSA-N 0 3 329.444 2.072 40 0 EEABHN Cn1cc(CN2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)cn1 ZINC000096047887 463151996 /nfs/dbraw/zinc/15/19/96/463151996.db2.gz FEMKRYYQMUMJHV-QGZVFWFLSA-N 0 3 328.416 2.018 40 0 EEABHN O=C(N[C@@H]1CCC12CCN(Cc1ccoc1)CC2)c1cnccn1 ZINC000096051481 463154995 /nfs/dbraw/zinc/15/49/95/463154995.db2.gz FZNJHRNIMCJTCR-MRXNPFEDSA-N 0 3 326.400 2.244 40 0 EEABHN CN(Cc1ccco1)[C@@H]1CCC12CCN(S(=O)(=O)C1CC1)CC2 ZINC000096051604 463155333 /nfs/dbraw/zinc/15/53/33/463155333.db2.gz HAHAKPVQQDUXMS-MRXNPFEDSA-N 0 3 338.473 2.448 40 0 EEABHN Cn1cc(CN2CC[C@]3(C2)CCCN(Cc2ccccn2)C3)cn1 ZINC000096158032 463189786 /nfs/dbraw/zinc/18/97/86/463189786.db2.gz LBJQSVBVNZUTFD-LJQANCHMSA-N 0 3 325.460 2.303 40 0 EEABHN Cn1cccc1C(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096161696 463191814 /nfs/dbraw/zinc/19/18/14/463191814.db2.gz OAPQCBFNCWLZCB-IYBDPMFKSA-N 0 3 327.403 2.368 40 0 EEABHN C[C@H](N)C(=O)N(C1CC1)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079391355 463210820 /nfs/dbraw/zinc/21/08/20/463210820.db2.gz IGBIOXWDAXCXNG-UBHSHLNASA-N 0 3 325.453 2.161 40 0 EEABHN COc1ccccc1N1CCC[C@@H](NCc2ccnc(N(C)C)n2)C1 ZINC000096501547 463291176 /nfs/dbraw/zinc/29/11/76/463291176.db2.gz IQQMMIGKBDVSPG-MRXNPFEDSA-N 0 3 341.459 2.310 40 0 EEABHN CN1CCN(Cc2cccc(NCc3cccc(C(N)=O)c3)c2)CC1 ZINC000080196285 463294023 /nfs/dbraw/zinc/29/40/23/463294023.db2.gz TUVTUTBJJJXMFV-UHFFFAOYSA-N 0 3 338.455 2.145 40 0 EEABHN O=C(C1CC1)N1CCC[C@@H](C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000097212570 463348528 /nfs/dbraw/zinc/34/85/28/463348528.db2.gz BVDSXTXVHCAERT-QGZVFWFLSA-N 0 3 347.503 2.112 40 0 EEABHN CN(CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)Cc1ccco1 ZINC000044871381 463697021 /nfs/dbraw/zinc/69/70/21/463697021.db2.gz JEZSULIUWCWYRV-QGZVFWFLSA-N 0 3 327.428 2.102 40 0 EEABHN Cn1ccc2ccnc(CC3CN(C(=O)C4(C)CCN(C)CC4)C3)c21 ZINC000257312361 463773808 /nfs/dbraw/zinc/77/38/08/463773808.db2.gz UNOMUPXPUNCZRH-UHFFFAOYSA-N 0 3 340.471 2.306 40 0 EEABHN CNc1cc(C)nc([C@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)C2)c1 ZINC000257336635 463784234 /nfs/dbraw/zinc/78/42/34/463784234.db2.gz YPHNMOZTCMTZAZ-INIZCTEOSA-N 0 3 344.459 2.006 40 0 EEABHN CC[C@@H]1CN(C(=O)c2oc(C)nc2C)[C@H](CC)CN1CC(C)(C)O ZINC000225427017 464159679 /nfs/dbraw/zinc/15/96/79/464159679.db2.gz RQMMSBPILUKXLZ-HUUCEWRRSA-N 0 3 337.464 2.377 40 0 EEABHN COc1ccccc1OC[C@H](C)CNC(=O)N1CCN2CCC1CC2 ZINC000225460737 464162580 /nfs/dbraw/zinc/16/25/80/464162580.db2.gz XSYJQOAYAQWMPO-OAHLLOKOSA-N 0 3 347.459 2.200 40 0 EEABHN O=S1(=O)CCC[C@@H](NCCOc2cccc(C(F)(F)F)c2)C1 ZINC000182649145 464702192 /nfs/dbraw/zinc/70/21/92/464702192.db2.gz IUELCLWQNXGIOX-GFCCVEGCSA-N 0 3 337.363 2.251 40 0 EEABHN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000247830013 464709527 /nfs/dbraw/zinc/70/95/27/464709527.db2.gz KLVYWQIIQUTEAA-KBEGMRNHSA-N 0 3 340.471 2.265 40 0 EEABHN CCC1(CC)CN(CCCN2CCN(C(C)C)CC2)CC[S@@]1=O ZINC000192801385 465001169 /nfs/dbraw/zinc/00/11/69/465001169.db2.gz CPVFEBOFKSPEDZ-QHCPKHFHSA-N 0 3 343.581 2.026 40 0 EEABHN CCc1cc(N(C)C2CCN(CCn3cccn3)CC2)nc(C)n1 ZINC000253426229 465010818 /nfs/dbraw/zinc/01/08/18/465010818.db2.gz LZSPYFMFODVGMO-UHFFFAOYSA-N 0 3 328.464 2.145 40 0 EEABHN CC(C)(C)CN1CCC[C@H](N2CCC[C@H](Cn3ccnn3)C2)C1=O ZINC000329756421 465424890 /nfs/dbraw/zinc/42/48/90/465424890.db2.gz YPZRRYRZEVYVDA-HOTGVXAUSA-N 0 3 333.480 2.027 40 0 EEABHN CN1CC=C(CNC(=O)Nc2ccnc(OCC(F)(F)F)c2)CC1 ZINC000390834198 467413898 /nfs/dbraw/zinc/41/38/98/467413898.db2.gz ULRPPHQGFLVOJE-UHFFFAOYSA-N 0 3 344.337 2.406 40 0 EEABHN Cc1ccc(C(=O)N2CCC[C@]3(CCCN3CC(=O)N(C)C)CC2)o1 ZINC000585100120 468968266 /nfs/dbraw/zinc/96/82/66/468968266.db2.gz GEBQCZXDXVGPNR-IBGZPJMESA-N 0 3 347.459 2.137 40 0 EEABHN CCOCCCNC(=O)C1CCN(Cc2cccc(OC)c2)CC1 ZINC000051738042 214102897 /nfs/dbraw/zinc/10/28/97/214102897.db2.gz PFNQKMSMTVLSTK-UHFFFAOYSA-N 0 3 334.460 2.450 40 0 EEABHN O=C(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)c1ccc[nH]1 ZINC000174853782 231326262 /nfs/dbraw/zinc/32/62/62/231326262.db2.gz QVTGZZANPSQZHY-GOSISDBHSA-N 0 3 327.428 2.190 40 0 EEABHN Ic1ccc2nc(N3CCNCC3)ccc2c1 ZINC000002527444 283040881 /nfs/dbraw/zinc/04/08/81/283040881.db2.gz BZVOKNDAJHHFPT-UHFFFAOYSA-N 0 3 339.180 2.249 40 0 in-vivo EEABHN Cc1ccn(C)c(=O)c1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000189718674 237179652 /nfs/dbraw/zinc/17/96/52/237179652.db2.gz TVLRZIIMRUIOFQ-DOTOQJQBSA-N 0 3 340.427 2.261 40 0 EEABHN Cc1ccn(CCC(=O)N2CC[C@@H](c3cc(N(C)C)cc(C)n3)C2)n1 ZINC000257264375 244354681 /nfs/dbraw/zinc/35/46/81/244354681.db2.gz LUCFETYVCMXXFF-MRXNPFEDSA-N 0 3 341.459 2.367 40 0 EEABHN Cn1nccc1CN1CC[C@H](c2cc(C(N)=O)c3ccccc3n2)C1 ZINC000019762598 212063102 /nfs/dbraw/zinc/06/31/02/212063102.db2.gz AJUSAADVIKZLKO-ZDUSSCGKSA-N 0 3 335.411 2.057 40 0 EEABHN CN1CCC[C@H](c2nnc3n2CCN(C(=O)CC2CCCC2)CC3)C1 ZINC000019709413 212055920 /nfs/dbraw/zinc/05/59/20/212055920.db2.gz GVCZLGQCHIELCZ-INIZCTEOSA-N 0 3 345.491 2.052 40 0 EEABHN CN1CCC[C@@H](c2nnc3n2CCN(C(=O)CC2CCCC2)CC3)C1 ZINC000019709412 212055543 /nfs/dbraw/zinc/05/55/43/212055543.db2.gz GVCZLGQCHIELCZ-MRXNPFEDSA-N 0 3 345.491 2.052 40 0 EEABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cc(Br)cs1 ZINC000019575864 212045365 /nfs/dbraw/zinc/04/53/65/212045365.db2.gz SGEGHWMAOBNKPE-MVWJERBFSA-N 0 3 331.279 2.150 40 0 EEABHN CCCn1c2ccccc2nc1CN1C[C@H]2C[C@@H](O)CN2C[C@@H]1C ZINC000019526011 212037833 /nfs/dbraw/zinc/03/78/33/212037833.db2.gz FEJRJQUCGORUBE-ARFHVFGLSA-N 0 3 328.460 2.086 40 0 EEABHN CC(C)N(C(=O)CN)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079392977 217218652 /nfs/dbraw/zinc/21/86/52/217218652.db2.gz IEUVSSVHHUKAQW-IAGOWNOFSA-N 0 3 347.459 2.420 40 0 EEABHN COC(=O)c1ccc(CN[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 ZINC000012366565 211356535 /nfs/dbraw/zinc/35/65/35/211356535.db2.gz WJKVFSXPCPNMGS-NVXWUHKLSA-N 0 3 330.384 2.117 40 0 EEABHN COc1ccc(CN[C@@H]2COC[C@H]2Cc2cc(C)no2)c(OC)c1 ZINC000012366562 211357620 /nfs/dbraw/zinc/35/76/20/211357620.db2.gz KBXAPAFTBLRKAQ-RHSMWYFYSA-N 0 3 332.400 2.348 40 0 EEABHN Cc1cc(CN2CCc3nc(C)[nH]c(=O)c3C2)c(C)n1-c1cccnc1 ZINC000012145337 211306765 /nfs/dbraw/zinc/30/67/65/211306765.db2.gz NDBMDZGYDNGRMA-UHFFFAOYSA-N 0 3 349.438 2.439 40 0 EEABHN Cc1ncccc1CN1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000091921828 218089331 /nfs/dbraw/zinc/08/93/31/218089331.db2.gz VDHRHOKJLANSSK-HUUCEWRRSA-N 0 3 331.460 2.238 40 0 EEABHN Cc1noc(C)c1CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000096427162 218799056 /nfs/dbraw/zinc/79/90/56/218799056.db2.gz MANYGVCDNHLQGM-UHFFFAOYSA-N 0 3 342.443 2.120 40 0 EEABHN CNC(=O)C(C)(C)CNCc1cc(Br)cc2c1OCC2 ZINC000097378272 219020048 /nfs/dbraw/zinc/02/00/48/219020048.db2.gz UOWNZQOSDXVDDZ-UHFFFAOYSA-N 0 3 341.249 2.246 40 0 EEABHN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)CN)cc1 ZINC000218602867 273770553 /nfs/dbraw/zinc/77/05/53/273770553.db2.gz OZIFQFHUBZQUSV-GUDVDZBRSA-N 0 3 344.480 2.153 40 0 EEABHN O=S1(=O)CCC[C@H](NCCc2ccc(OC(F)(F)F)cc2)C1 ZINC000097230720 323321457 /nfs/dbraw/zinc/32/14/57/323321457.db2.gz LXDXRNINKYANOV-LBPRGKRZSA-N 0 3 337.363 2.295 40 0 EEABHN Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNC[C@@H]3CCCO3)cc12 ZINC000008578969 462789399 /nfs/dbraw/zinc/78/93/99/462789399.db2.gz ARMAKTDXVGGRQV-INIZCTEOSA-N 0 3 338.411 2.291 40 0 EEABHN c1csc(CN2CCC[C@H]2Cn2nnc(-c3ccccn3)n2)c1 ZINC000019403519 463017072 /nfs/dbraw/zinc/01/70/72/463017072.db2.gz QZBOVOBBHVDWHO-ZDUSSCGKSA-N 0 3 326.429 2.461 40 0 EEABHN CN1CCC[C@@H](N2CCN(c3ncnc4cc(F)c(F)cc43)CC2)C1 ZINC000078262981 463097178 /nfs/dbraw/zinc/09/71/78/463097178.db2.gz CINDHMSRVVGZDS-CYBMUJFWSA-N 0 3 347.413 2.124 40 0 EEABHN O=C1NC(c2ccccc2)=N[C@@]12CC[C@@H]1CN(Cc3cccnc3)C[C@@H]12 ZINC000096061751 463161905 /nfs/dbraw/zinc/16/19/05/463161905.db2.gz HKWYYVKRHCCFTH-LVCYWYKZSA-N 0 3 346.434 2.239 40 0 EEABHN Cc1nc(CO[C@H]2CO[C@]3(CCN(Cc4cnc[nH]4)C3)C2)cs1 ZINC000096072410 463167686 /nfs/dbraw/zinc/16/76/86/463167686.db2.gz QCTHLMPVTXGDCB-HZPDHXFCSA-N 0 3 334.445 2.125 40 0 EEABHN Cc1ccc(CN2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)s1 ZINC000096077571 463169205 /nfs/dbraw/zinc/16/92/05/463169205.db2.gz KDOIROASGYMRSK-QGZVFWFLSA-N 0 3 330.457 2.419 40 0 EEABHN CN1CCC(N2C[C@@H](F)[C@@H](OCc3nc4ccccc4o3)C2)CC1 ZINC000096112093 463180345 /nfs/dbraw/zinc/18/03/45/463180345.db2.gz RGRTXQOFJDDVBX-PBHICJAKSA-N 0 3 333.407 2.461 40 0 biogenic,in-vitro EEABHN CCN(CC)CC(=O)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000096440142 463266886 /nfs/dbraw/zinc/26/68/86/463266886.db2.gz ARNMGGQBIMQXKS-UHFFFAOYSA-N 0 3 332.370 2.476 40 0 EEABHN CC1CCN(C[C@H](O)Cn2ccnc2C(=O)c2ccccc2)CC1 ZINC000097375850 463356811 /nfs/dbraw/zinc/35/68/11/463356811.db2.gz YCLGSGUCFNQZLN-KRWDZBQOSA-N 0 3 327.428 2.207 40 0 EEABHN COc1ncccc1CN(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000193568538 463719244 /nfs/dbraw/zinc/71/92/44/463719244.db2.gz DSGUNZRHLHTSEN-FQEVSTJZSA-N 0 3 341.455 2.159 40 0 EEABHN Cn1ccc(C(=O)N2CCC[C@H]2c2cccc(CN3CCCC3)n2)n1 ZINC000257228284 463756891 /nfs/dbraw/zinc/75/68/91/463756891.db2.gz FTHNTYWSVIRHOS-SFHVURJKSA-N 0 3 339.443 2.388 40 0 EEABHN CN(C[C@H]1COc2ccccc2O1)C(=O)C[C@H](N)c1ccccc1 ZINC000194279514 463825610 /nfs/dbraw/zinc/82/56/10/463825610.db2.gz RSMTULJTQYOKQU-HOTGVXAUSA-N 0 3 326.396 2.375 40 0 EEABHN CN1CCc2ncnc(Sc3nccn3Cc3ccccn3)c2C1 ZINC000241588387 464453243 /nfs/dbraw/zinc/45/32/43/464453243.db2.gz PCRWBTJYSCNNIN-UHFFFAOYSA-N 0 3 338.440 2.256 40 0 EEABHN c1ccc(N2CCN(C3CCN(C[C@H]4CCCCO4)CC3)CC2)nc1 ZINC000252484448 464962313 /nfs/dbraw/zinc/96/23/13/464962313.db2.gz FWNSVPGEGWISPK-LJQANCHMSA-N 0 3 344.503 2.237 40 0 EEABHN CN(C)C(=O)CC[C@@]1(O)CCCN(Cc2cccc3cccnc32)C1 ZINC000585279074 469005356 /nfs/dbraw/zinc/00/53/56/469005356.db2.gz SNPYJSUSBRWGOF-FQEVSTJZSA-N 0 3 341.455 2.430 40 0 EEABHN Cc1cccc(Oc2nccnc2[C@H]2CCCN(C(=O)CN)C2)c1 ZINC000072363195 216170286 /nfs/dbraw/zinc/17/02/86/216170286.db2.gz LZUCCEOEGVVRQA-AWEZNQCLSA-N 0 3 326.400 2.242 40 0 EEABHN CN(C)c1nccc(C2CCN(C(=O)[C@@]3(C)CCCCN3C)CC2)n1 ZINC000072367364 216174383 /nfs/dbraw/zinc/17/43/83/216174383.db2.gz MYPMMFVORHGPRL-LJQANCHMSA-N 0 3 345.491 2.123 40 0 EEABHN COc1ccccc1CN1CCC2(CN(C(C)=O)[C@@](C)(CO)C2)CC1 ZINC000257264214 244355743 /nfs/dbraw/zinc/35/57/43/244355743.db2.gz LTJRCCBSXWILEG-LJQANCHMSA-N 0 3 346.471 2.281 40 0 EEABHN COc1ccc(F)c([C@@H]2NC(=O)CC[C@H]2NCc2cccnc2)c1 ZINC000019552666 212041537 /nfs/dbraw/zinc/04/15/37/212041537.db2.gz ACQOGZNUQPJQJJ-AEFFLSMTSA-N 0 3 329.375 2.339 40 0 EEABHN CCN(CCNC(=O)Cc1cc(=O)oc2cc(C)ccc12)C1CC1 ZINC000095350994 218284341 /nfs/dbraw/zinc/28/43/41/218284341.db2.gz JVWKWDUWJMDQOE-UHFFFAOYSA-N 0 3 328.412 2.244 40 0 EEABHN COc1cc2ccn(C[C@@H](O)CN3CCC(C)CC3)c(=O)c2cc1F ZINC000095439154 218383168 /nfs/dbraw/zinc/38/31/68/218383168.db2.gz NHIDLDDBSMHIEW-HNNXBMFYSA-N 0 3 348.418 2.242 40 0 EEABHN O=C([C@H]1CCC2(CCN(Cc3cccnc3)CC2)CO1)N1CCCC1 ZINC000096224930 218701034 /nfs/dbraw/zinc/70/10/34/218701034.db2.gz XBPPXWCDOGYGEJ-GOSISDBHSA-N 0 3 343.471 2.465 40 0 EEABHN CCS(=O)(=O)N(C)CCCN[C@@H]1CCCOc2cc(F)ccc21 ZINC000181949863 280008751 /nfs/dbraw/zinc/00/87/51/280008751.db2.gz WESXLWDHWSHZDY-OAHLLOKOSA-N 0 3 344.452 2.301 40 0 EEABHN COc1cccc(CN2CCC(c3nn(C)c(=O)n3C3CC3)CC2)c1 ZINC000077154167 462943928 /nfs/dbraw/zinc/94/39/28/462943928.db2.gz YLTLWTWKBGXMCU-UHFFFAOYSA-N 0 3 342.443 2.305 40 0 EEABHN CS(=O)(=O)NC1CCN(CCCc2ccc(Cl)cc2)CC1 ZINC000077248171 462959693 /nfs/dbraw/zinc/95/96/93/462959693.db2.gz ICIXHAGHCYELFA-UHFFFAOYSA-N 0 3 330.881 2.286 40 0 EEABHN O=C([C@@H]1CCO[C@@H]2CCN(Cc3cccs3)C[C@H]21)N1CCCO1 ZINC000096043383 463148313 /nfs/dbraw/zinc/14/83/13/463148313.db2.gz ZPSBRKGYBYZVHZ-OWCLPIDISA-N 0 3 336.457 2.139 40 0 EEABHN Cc1ncsc1CN1C[C@@H]2COC[C@]2(Cc2nnc(C3CC3)o2)C1 ZINC000096215199 463214249 /nfs/dbraw/zinc/21/42/49/463214249.db2.gz CZXXKZXQPCFQGL-DYVFJYSZSA-N 0 3 346.456 2.403 40 0 EEABHN Fc1cnc(N[C@@H]2CO[C@@]3(CCN(Cc4ccccc4)C3)C2)nc1 ZINC000096219602 463216469 /nfs/dbraw/zinc/21/64/69/463216469.db2.gz ICMVJZKGICGCLS-WMZOPIPTSA-N 0 3 328.391 2.461 40 0 EEABHN CCCc1nc(C(=O)NC2CCN(C)CC2)nn1-c1ccccc1F ZINC000096427039 463256777 /nfs/dbraw/zinc/25/67/77/463256777.db2.gz IYLMWFHIGIKXII-UHFFFAOYSA-N 0 3 345.422 2.183 40 0 EEABHN CN(C)CCn1ccc(NC(=O)N[C@H]2CCO[C@@H]2c2ccccc2)n1 ZINC000096447177 463270839 /nfs/dbraw/zinc/27/08/39/463270839.db2.gz WMWVZLVTGGFNPK-DOTOQJQBSA-N 0 3 343.431 2.096 40 0 EEABHN C[C@H](NC1CCN(CC(F)F)CC1)c1ccc2c(c1)NC(=O)CO2 ZINC000096476522 463279891 /nfs/dbraw/zinc/27/98/91/463279891.db2.gz JESZPFCPRYLXKD-NSHDSACASA-N 0 3 339.386 2.398 40 0 EEABHN Cc1cn2c(n1)CC[C@H](N[C@H]1CCCN(c3ccccc3F)C1=O)C2 ZINC000096486209 463284310 /nfs/dbraw/zinc/28/43/10/463284310.db2.gz HIATWEVIZJVSRJ-HOCLYGCPSA-N 0 3 342.418 2.431 40 0 EEABHN CCC[C@@H](N)C(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000096499783 463290517 /nfs/dbraw/zinc/29/05/17/463290517.db2.gz MFPFSUFCMKVZJG-VXGBXAGGSA-N 0 3 331.338 2.208 40 0 EEABHN COc1ccc([C@@H](CN)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000101039105 463375578 /nfs/dbraw/zinc/37/55/78/463375578.db2.gz ADROAGHLHUGPGF-GOEBONIOSA-N 0 3 335.448 2.294 40 0 EEABHN CCNc1cc(NCCNC(=O)c2sc(C)nc2C)nc(C)n1 ZINC000042380921 463561545 /nfs/dbraw/zinc/56/15/45/463561545.db2.gz VOFULMYWWNQVTL-UHFFFAOYSA-N 0 3 334.449 2.132 40 0 EEABHN COc1ncccc1CN1CC[C@@]2(C1)C(=O)NC[C@@H]2c1ccccc1 ZINC000107195645 463561566 /nfs/dbraw/zinc/56/15/66/463561566.db2.gz OKYVADWXIMDEJQ-XLIONFOSSA-N 0 3 337.423 2.196 40 0 EEABHN O=C(Nc1cnc2c(c1)CNCC2)c1ccn(-c2ccccc2F)n1 ZINC000195549178 464074911 /nfs/dbraw/zinc/07/49/11/464074911.db2.gz LCTATTZMSRGFIV-UHFFFAOYSA-N 0 3 337.358 2.304 40 0 EEABHN Cc1ccc(C(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1C ZINC000224307217 464149894 /nfs/dbraw/zinc/14/98/94/464149894.db2.gz WVQAFPUNQPKEED-UHFFFAOYSA-N 0 3 339.443 2.122 40 0 EEABHN Cc1cccc(CN2CCC(NC(=O)N3C[C@@H](C)[C@H](CO)C3)CC2)c1 ZINC000225620199 464176145 /nfs/dbraw/zinc/17/61/45/464176145.db2.gz ALMXBXDXVICAIV-AEFFLSMTSA-N 0 3 345.487 2.229 40 0 EEABHN C[C@@H]1OCC[C@H]1N[C@H]1CCN(c2ccccc2OC(F)F)C1=O ZINC000245339174 464471094 /nfs/dbraw/zinc/47/10/94/464471094.db2.gz RADLNWQEIGAOFU-TUAOUCFPSA-N 0 3 326.343 2.160 40 0 EEABHN CN1CC[C@@H](COc2ccccn2)CC12CN(CC1CCOCC1)C2 ZINC000248104862 464728996 /nfs/dbraw/zinc/72/89/96/464728996.db2.gz FRHIPZMRGQKHRK-GOSISDBHSA-N 0 3 345.487 2.283 40 0 EEABHN Cc1cc(C)c(N2CC[C@H](N[C@@H]3CCCC[C@@H]3C(N)=O)C2=O)c(C)c1 ZINC000191101046 464777436 /nfs/dbraw/zinc/77/74/36/464777436.db2.gz FDPBGLGZDXUIKV-BBWFWOEESA-N 0 3 343.471 2.351 40 0 EEABHN CN(C)[C@H](CNCc1ccc(Br)o1)c1cnn(C)c1 ZINC000191115807 464780258 /nfs/dbraw/zinc/78/02/58/464780258.db2.gz CIMGKBJWJLKMTQ-GFCCVEGCSA-N 0 3 327.226 2.168 40 0 EEABHN Cc1cc(N[C@@H](C)c2nnnn2C)cc(N2CCN(C(C)C)CC2)c1 ZINC000276552132 464977111 /nfs/dbraw/zinc/97/71/11/464977111.db2.gz AXYQMTBAFNEOGX-HNNXBMFYSA-N 0 3 343.479 2.222 40 0 EEABHN Cc1cnc(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cn1 ZINC000253416568 465005160 /nfs/dbraw/zinc/00/51/60/465005160.db2.gz OHXPAXVVZXBUHI-UHFFFAOYSA-N 0 3 340.427 2.188 40 0 EEABHN Cc1nc2c(n1CC1CC1)CNCC21CCN(c2ncccn2)CC1 ZINC000306143970 466493371 /nfs/dbraw/zinc/49/33/71/466493371.db2.gz YSEUNNZISDPGHY-UHFFFAOYSA-N 0 3 338.459 2.033 40 0 EEABHN COCCN1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccncc3)[C@H]2C1 ZINC000585109575 468973804 /nfs/dbraw/zinc/97/38/04/468973804.db2.gz BSTWKELPHAOBGW-GBESFXJTSA-N 0 3 337.423 2.228 40 0 EEABHN O[C@]1(CNCc2ccc(OCCF)cc2)CCN(c2ccccn2)C1 ZINC000585271201 468997843 /nfs/dbraw/zinc/99/78/43/468997843.db2.gz UADVQTPWLGBZKR-IBGZPJMESA-N 0 3 345.418 2.161 40 0 EEABHN Cc1ocnc1C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000174854705 231326784 /nfs/dbraw/zinc/32/67/84/231326784.db2.gz YACFGYJACFMXQS-KRWDZBQOSA-N 0 3 343.427 2.158 40 0 EEABHN C[C@H](Cc1ccccc1F)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000188219957 236476220 /nfs/dbraw/zinc/47/62/20/236476220.db2.gz AXQQGZBMQKOFHE-CJNGLKHVSA-N 0 3 330.407 2.275 40 0 EEABHN COCCN1CCC[C@@H](c2nccnc2-c2cccc(C(N)=O)c2)C1 ZINC000072358506 216166458 /nfs/dbraw/zinc/16/64/58/216166458.db2.gz IGLNDJRSEYTFRW-MRXNPFEDSA-N 0 3 340.427 2.068 40 0 EEABHN Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCCN2CCC(N)=O)n1 ZINC000257244910 244253218 /nfs/dbraw/zinc/25/32/18/244253218.db2.gz INICYXVMIMICHB-HNNXBMFYSA-N 0 3 343.431 2.459 40 0 EEABHN CC(C)(C)c1ccc(CN2C[C@@H]3C[C@@H](O)C[C@@H]3C2)c(OCC(N)=O)c1 ZINC000257267235 244363894 /nfs/dbraw/zinc/36/38/94/244363894.db2.gz MGMHOARADVJVRT-QLPKVWCKSA-N 0 3 346.471 2.051 40 0 EEABHN COc1ccc(CNCc2ccccc2N2CCN(C)CC2)cc1O ZINC000078553875 217074539 /nfs/dbraw/zinc/07/45/39/217074539.db2.gz QZUIWBYIIDXMGW-UHFFFAOYSA-N 0 3 341.455 2.442 40 0 EEABHN COc1ccc(C2(NCC(=O)NC3CCOCC3)CCCC2)cc1 ZINC000079305640 217205876 /nfs/dbraw/zinc/20/58/76/217205876.db2.gz KYEZLOHVSLBPSY-UHFFFAOYSA-N 0 3 332.444 2.349 40 0 EEABHN O=C(NCCCn1ccnc1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000079351842 217212427 /nfs/dbraw/zinc/21/24/27/217212427.db2.gz NQOCCJMCQPITBV-QGZVFWFLSA-N 0 3 344.434 2.441 40 0 EEABHN C[C@@H](C(=O)NC[C@@H](O)CN1CCC(C)CC1)c1ccc(F)c(F)c1 ZINC000096436449 218815314 /nfs/dbraw/zinc/81/53/14/218815314.db2.gz JRHIRRYDHSCWRV-UKRRQHHQSA-N 0 3 340.414 2.277 40 0 EEABHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCc1ccccn1 ZINC000154474435 224258284 /nfs/dbraw/zinc/25/82/84/224258284.db2.gz PYOAAGCICJEATM-LPHOPBHVSA-N 0 3 338.455 2.444 40 0 EEABHN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCC(C)(C)N1CCCCC1 ZINC000042159882 258059993 /nfs/dbraw/zinc/05/99/93/258059993.db2.gz MIFURCUXUWJBMW-MRXNPFEDSA-N 0 3 349.475 2.415 40 0 EEABHN CN1CCC(NC(=O)c2ccn(COc3ccc(Cl)cc3)n2)CC1 ZINC000002787333 462603528 /nfs/dbraw/zinc/60/35/28/462603528.db2.gz FIXOLOSEDOCTRP-UHFFFAOYSA-N 0 3 348.834 2.397 40 0 EEABHN Cc1cc(C)c2[nH]c(=O)c(CNCCCN3CCCC3=O)cc2c1 ZINC000013998956 462907512 /nfs/dbraw/zinc/90/75/12/462907512.db2.gz ZTTQJJLOROEFIX-UHFFFAOYSA-N 0 3 327.428 2.247 40 0 EEABHN COc1ccc(OC)c(CN2CCC(O)(Cn3ccnc3C)CC2)c1 ZINC000019287962 463016227 /nfs/dbraw/zinc/01/62/27/463016227.db2.gz RMZGNMHPOKGBGW-UHFFFAOYSA-N 0 3 345.443 2.236 40 0 EEABHN O=C(c1cscn1)N1CC[C@@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC000096054147 463156577 /nfs/dbraw/zinc/15/65/77/463156577.db2.gz ULCHJIBZSHSQKD-ZIAGYGMSSA-N 0 3 328.441 2.132 40 0 EEABHN Cc1noc(C)c1CN1CCO[C@H]2[C@H](OCCN3CCCC3)CC[C@@H]21 ZINC000096057929 463160103 /nfs/dbraw/zinc/16/01/03/463160103.db2.gz UYXCZMYSDNNIDQ-IPMKNSEASA-N 0 3 349.475 2.136 40 0 EEABHN CO[C@@H]1CCN(Cc2ccoc2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096108587 463177041 /nfs/dbraw/zinc/17/70/41/463177041.db2.gz XRPQXNNYCSDLQX-IPMKNSEASA-N 0 3 327.428 2.396 40 0 EEABHN O=C([C@@H]1CCCO1)N1CC[C@@]2(C1)CCCN(Cc1ccccn1)C2 ZINC000096158072 463189387 /nfs/dbraw/zinc/18/93/87/463189387.db2.gz HFVMYKXMVUEENX-HKUYNNGSSA-N 0 3 329.444 2.075 40 0 EEABHN O=c1ccc2c(n1Cc1ccncc1)CCN(Cc1ccoc1)CC2 ZINC000096196723 463202695 /nfs/dbraw/zinc/20/26/95/463202695.db2.gz GYNHBDANKPDECX-UHFFFAOYSA-N 0 3 335.407 2.485 40 0 EEABHN Cc1cccc(CN2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)n1 ZINC000096206395 463208256 /nfs/dbraw/zinc/20/82/56/463208256.db2.gz BEXJFJICYDQJQH-UYAOXDASSA-N 0 3 339.439 2.450 40 0 EEABHN CC(C)=CC(=O)NCc1ccc(C(=O)NC[C@H]2CCCN(C)C2)cc1 ZINC000096430960 463260263 /nfs/dbraw/zinc/26/02/63/463260263.db2.gz VCDJHPWXIWHNJD-QGZVFWFLSA-N 0 3 343.471 2.341 40 0 EEABHN O=C(CN[C@H](Cc1ccccc1)c1cccs1)N1CCOCC1 ZINC000184974485 463727584 /nfs/dbraw/zinc/72/75/84/463727584.db2.gz NTKQWVSQLGIWHB-MRXNPFEDSA-N 0 3 330.453 2.480 40 0 EEABHN Cc1ccc(N(C)[C@@H]2CC[C@@H]3CN(Cc4cnc(C)nc4)C[C@H]23)nn1 ZINC000257279051 463758889 /nfs/dbraw/zinc/75/88/89/463758889.db2.gz OEUOVPAVSHVWJV-FGTMMUONSA-N 0 3 338.459 2.230 40 0 EEABHN O=C1CCCN1c1ccc(CN2CCC3(CC2)OCCC[C@H]3O)cc1 ZINC000257279227 463758920 /nfs/dbraw/zinc/75/89/20/463758920.db2.gz OFQODQUOJKGZPX-GOSISDBHSA-N 0 3 344.455 2.319 40 0 EEABHN Cc1cn(C)c([C@H]2CCN(Cc3ccnc(N4CCCC4)n3)C2)n1 ZINC000257328560 463779244 /nfs/dbraw/zinc/77/92/44/463779244.db2.gz XGEOJTOPHCWYDS-HNNXBMFYSA-N 0 3 326.448 2.108 40 0 EEABHN C[N@@H+]1CC[C@H](Nc2ncnc3[n-]cnc32)[C@H]1c1ccc(F)c(F)c1 ZINC000252537585 464981021 /nfs/dbraw/zinc/98/10/21/464981021.db2.gz LRIHMPKQHYTWLD-GXTWGEPZSA-N 0 3 330.342 2.488 40 0 EEABHN C[N@H+]1CC[C@H](Nc2ncnc3[n-]cnc32)[C@H]1c1ccc(F)c(F)c1 ZINC000252537585 464981026 /nfs/dbraw/zinc/98/10/26/464981026.db2.gz LRIHMPKQHYTWLD-GXTWGEPZSA-N 0 3 330.342 2.488 40 0 EEABHN CC[C@H](CNC(=O)N1CC[C@H]([C@H](C)O)C1)N1CCc2ccccc2C1 ZINC000253370378 464994542 /nfs/dbraw/zinc/99/45/42/464994542.db2.gz QBKGBYZNRZJGDB-VDZJLULYSA-N 0 3 345.487 2.236 40 0 EEABHN CCCCN1CCC[C@]2(CC(C(=O)NC3CC(F)(F)C3)=NO2)C1 ZINC000585101120 468968530 /nfs/dbraw/zinc/96/85/30/468968530.db2.gz FWKKSEGZNBDXDN-HNNXBMFYSA-N 0 3 329.391 2.311 40 0 EEABHN C[C@]1(CO)C[C@H](O)CN1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000585142369 468991833 /nfs/dbraw/zinc/99/18/33/468991833.db2.gz UVCCMBNUJUQBBO-XHDPSFHLSA-N 0 3 347.242 2.140 40 0 EEABHN COc1ccc(S(=O)(=O)NC[C@H](C(C)C)N2CCCC2)cc1 ZINC000036631317 213105703 /nfs/dbraw/zinc/10/57/03/213105703.db2.gz HOVQSHJCFVZSEX-MRXNPFEDSA-N 0 3 326.462 2.094 40 0 EEABHN CCN1CCN(Cc2ccccc2CNC(=O)N2CCCCO2)CC1 ZINC000225787847 242036841 /nfs/dbraw/zinc/03/68/41/242036841.db2.gz IFNGVBZDXGPTQI-UHFFFAOYSA-N 0 3 346.475 2.061 40 0 EEABHN CC(C)c1ccccc1O[C@H](C)C(=O)NCCCN1CCN(C)CC1 ZINC000020460832 212133631 /nfs/dbraw/zinc/13/36/31/212133631.db2.gz ZFVOAOJXDYSYFH-QGZVFWFLSA-N 0 3 347.503 2.331 40 0 EEABHN Cc1ncccc1O[C@@H]1CC[C@@H]2CN(CC(=O)N3CCCC3)C[C@H]12 ZINC000257278044 244396596 /nfs/dbraw/zinc/39/65/96/244396596.db2.gz OANHYASACFLNSN-SOLBZPMBSA-N 0 3 329.444 2.102 40 0 EEABHN Cc1c2cc(F)ccc2[nH]c1CN1CC[C@@H]2OCC(=O)N(C)[C@H]2CC1 ZINC000257277233 244397300 /nfs/dbraw/zinc/39/73/00/244397300.db2.gz NWZKDTAANUZESY-ROUUACIJSA-N 0 3 345.418 2.437 40 0 EEABHN Cc1ccc(CC(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)cc1 ZINC000019209611 212004853 /nfs/dbraw/zinc/00/48/53/212004853.db2.gz FVIQPUUYGPJDSL-GOSISDBHSA-N 0 3 336.439 2.337 40 0 EEABHN Cc1ccc(CC(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)cc1 ZINC000019209614 212004536 /nfs/dbraw/zinc/00/45/36/212004536.db2.gz FVIQPUUYGPJDSL-SFHVURJKSA-N 0 3 336.439 2.337 40 0 EEABHN C[C@H](NC1(CNC(=O)[C@@H]2CCCO2)CCOCC1)c1ccccc1 ZINC000079096462 217191392 /nfs/dbraw/zinc/19/13/92/217191392.db2.gz JPTALMXOVCFHSQ-RDJZCZTQSA-N 0 3 332.444 2.182 40 0 EEABHN O=C(NCCCn1ccnc1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000079351838 217212529 /nfs/dbraw/zinc/21/25/29/217212529.db2.gz NQOCCJMCQPITBV-KRWDZBQOSA-N 0 3 344.434 2.441 40 0 EEABHN COc1cc(CN[C@@H]2COC[C@H]2Cc2cc(C)no2)cc(OC)c1 ZINC000012366568 211357591 /nfs/dbraw/zinc/35/75/91/211357591.db2.gz GUEODCOGDVNKET-RDTXWAMCSA-N 0 3 332.400 2.348 40 0 EEABHN CCOC(=O)C1=C([O-])NC(N2CCCCC2)=[NH+][C@@H]1c1ccccc1C ZINC000010339384 211167586 /nfs/dbraw/zinc/16/75/86/211167586.db2.gz URZFWAUOEZFTID-HZPDHXFCSA-N 0 3 343.427 2.187 40 0 EEABHN Cc1noc(C2CCN(C(=O)NC[C@@H]3N(C)CCCC3(C)C)CC2)n1 ZINC000363992974 165000027 /nfs/dbraw/zinc/00/00/27/165000027.db2.gz IAXVQWAAXKVMNW-HNNXBMFYSA-N 0 3 349.479 2.387 40 0 EEABHN CS(=O)(=O)N1CCC[C@@H]1CN[C@@H]1CCCOc2cc(F)ccc21 ZINC000182166344 295519656 /nfs/dbraw/zinc/51/96/56/295519656.db2.gz RTCPTZKVOIXEHN-UKRRQHHQSA-N 0 3 342.436 2.053 40 0 EEABHN CS(=O)(=O)CC1(CN[C@@H]2CSCCc3ccccc32)CC1 ZINC000090183627 462783938 /nfs/dbraw/zinc/78/39/38/462783938.db2.gz NPNIJBKDPYHFAV-OAHLLOKOSA-N 0 3 325.499 2.431 40 0 EEABHN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000019078943 463014845 /nfs/dbraw/zinc/01/48/45/463014845.db2.gz QPMXUSOOXIMKNZ-UONOGXRCSA-N 0 3 334.416 2.125 40 0 EEABHN CN(Cc1ccco1)[C@H]1CCC12CCN(S(=O)(=O)C1CC1)CC2 ZINC000096051605 463155287 /nfs/dbraw/zinc/15/52/87/463155287.db2.gz HAHAKPVQQDUXMS-INIZCTEOSA-N 0 3 338.473 2.448 40 0 EEABHN O=C(NC[C@]12COC[C@H]1CN(Cc1ccsc1)C2)c1cscn1 ZINC000096108490 463177633 /nfs/dbraw/zinc/17/76/33/463177633.db2.gz QHFHBZGUVUKEKT-CJNGLKHVSA-N 0 3 349.481 2.083 40 0 EEABHN CN(Cc1cccnc1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@@H]21 ZINC000096182947 463194468 /nfs/dbraw/zinc/19/44/68/463194468.db2.gz BFWWQEORTIQACF-AKHDSKFASA-N 0 3 343.471 2.177 40 0 EEABHN c1nc2n(c1CN1CCCCC1)CCN(Cc1ccccn1)CC2 ZINC000096196885 463202706 /nfs/dbraw/zinc/20/27/06/463202706.db2.gz IBWAICLZTUGFCH-UHFFFAOYSA-N 0 3 325.460 2.322 40 0 EEABHN COc1ccccc1CN1C[C@@H]2COC[C@]2(c2nnc(C3CC3)o2)C1 ZINC000096215875 463213187 /nfs/dbraw/zinc/21/31/87/463213187.db2.gz FSJYGEVGIOVVPH-DNVCBOLYSA-N 0 3 341.411 2.356 40 0 EEABHN C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCC(=O)N1CCC1 ZINC000096405361 463239523 /nfs/dbraw/zinc/23/95/23/463239523.db2.gz VMSHJFNRXAGLTP-KBXCAEBGSA-N 0 3 339.480 2.282 40 0 EEABHN CN1CCC[C@@H](N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 ZINC000096455786 463275226 /nfs/dbraw/zinc/27/52/26/463275226.db2.gz XJDBMDTYBXBMDO-CQSZACIVSA-N 0 3 328.382 2.317 40 0 EEABHN Cc1ccc2c(c1)CN(C(=O)c1ccncc1)[C@@H](CN(C)C)CO2 ZINC000072395249 463509426 /nfs/dbraw/zinc/50/94/26/463509426.db2.gz XVJJHKPQPJVNQA-KRWDZBQOSA-N 0 3 325.412 2.355 40 0 EEABHN Cc1ncsc1CN1CC[C@]2(CCC[C@H]2C(=O)N2CCOCC2)C1 ZINC000108535376 463611079 /nfs/dbraw/zinc/61/10/79/463611079.db2.gz ORQSWEPQYPTQAJ-MAUKXSAKSA-N 0 3 349.500 2.303 40 0 EEABHN COc1ccccc1CN1CCO[C@@H](c2ncc(CN(C)C)[nH]2)C1 ZINC000257295302 463766117 /nfs/dbraw/zinc/76/61/17/463766117.db2.gz QXTYIXKHJPDTRP-QGZVFWFLSA-N 0 3 330.432 2.053 40 0 EEABHN Cc1cccc(C(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)c1 ZINC000257310680 463773840 /nfs/dbraw/zinc/77/38/40/463773840.db2.gz UGCKHHZEGOUSKU-KRWDZBQOSA-N 0 3 338.398 2.303 40 0 EEABHN COCCN1C(=O)CCC[C@H]2CN(CCOc3ccccc3)CC[C@H]21 ZINC000257334901 463782664 /nfs/dbraw/zinc/78/26/64/463782664.db2.gz YHVANBPCFXUNPX-PKOBYXMFSA-N 0 3 346.471 2.415 40 0 EEABHN COc1cc(CNC(=O)[C@@H]2NCCCC2(C)C)cc(OC)c1OC ZINC000261607862 463800921 /nfs/dbraw/zinc/80/09/21/463800921.db2.gz DAHZFVAFGDLWNM-INIZCTEOSA-N 0 3 336.432 2.107 40 0 EEABHN Cc1nscc1C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188070356 464191294 /nfs/dbraw/zinc/19/12/94/464191294.db2.gz IHURXNYGLVTJQL-GOSISDBHSA-N 0 3 345.468 2.161 40 0 EEABHN C[C@@]1(O)CCCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000241132911 464450509 /nfs/dbraw/zinc/45/05/09/464450509.db2.gz JNCGAOVNWGQTDH-FUHWJXTLSA-N 0 3 338.398 2.303 40 0 EEABHN CC(C(=O)N1CCc2ccccc2[C@]1(C)C(F)(F)F)S(C)(=O)=O ZINC000252499663 464971135 /nfs/dbraw/zinc/97/11/35/464971135.db2.gz SDSLEZAUDWMNPN-QMTHXVAHSA-N 0 3 349.374 2.282 40 0 EEABHN O=C1[C@H]2CCCN2C(=O)N1C1CCN(CCc2ccccc2)CC1 ZINC000253420172 465007629 /nfs/dbraw/zinc/00/76/29/465007629.db2.gz HWYIHOGQHYYEMG-QGZVFWFLSA-N 0 3 327.428 2.120 40 0 EEABHN COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)CC1 ZINC000253431599 465014441 /nfs/dbraw/zinc/01/44/41/465014441.db2.gz HRJSAWHXWSCSBC-BRSBDYLESA-N 0 3 344.455 2.180 40 0 EEABHN O=C(NCCc1ccccc1)NCC1CCN([C@H]2CCOC2)CC1 ZINC000575606954 468146555 /nfs/dbraw/zinc/14/65/55/468146555.db2.gz NCCYRDRNWTYTHP-SFHVURJKSA-N 0 3 331.460 2.029 40 0 EEABHN COCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000585109706 468973768 /nfs/dbraw/zinc/97/37/68/468973768.db2.gz JLZRKURENDEVBX-CMKODMSKSA-N 0 3 337.423 2.115 40 0 EEABHN Cc1ccc(O[C@@H]2CCC[C@H](CNCC(=O)NC(C)C)[C@H]2O)cc1 ZINC000585285322 469008226 /nfs/dbraw/zinc/00/82/26/469008226.db2.gz BBRPIHPSHCHDNL-SZVBFZGTSA-N 0 3 334.460 2.018 40 0 EEABHN O=C(NCC(F)(F)F)NCC1(N2CCSCC2)CCCC1 ZINC000059119915 214613488 /nfs/dbraw/zinc/61/34/88/214613488.db2.gz ZBVIZIHJMPNPTE-UHFFFAOYSA-N 0 3 325.400 2.210 40 0 EEABHN Cc1ccnc(O[C@H]2Cn3cccc3CN(CC3CCOCC3)C2)n1 ZINC000253478752 244000117 /nfs/dbraw/zinc/00/01/17/244000117.db2.gz MXZZMPYWJVRTJL-GOSISDBHSA-N 0 3 342.443 2.276 40 0 EEABHN Cn1cncc1CN1CCC2(CO[C@H](Cc3ccccn3)C2)CC1 ZINC000257235342 244225730 /nfs/dbraw/zinc/22/57/30/244225730.db2.gz GXKITURAOWFSEA-GOSISDBHSA-N 0 3 326.444 2.429 40 0 EEABHN Cc1ccnc([C@H]2CN(C(=O)c3ccc(CN(C)C)cc3)CCO2)n1 ZINC000257251755 244271027 /nfs/dbraw/zinc/27/10/27/244271027.db2.gz JSBWHZIWJZJQBC-QGZVFWFLSA-N 0 3 340.427 2.060 40 0 EEABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)CN3CCCCCC3=O)C2)c1 ZINC000257268948 244370861 /nfs/dbraw/zinc/37/08/61/244370861.db2.gz MNXALCMAPXUYOB-OAHLLOKOSA-N 0 3 344.459 2.150 40 0 EEABHN CCN1CCN(CCC(=O)N[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000079336409 217211126 /nfs/dbraw/zinc/21/11/26/217211126.db2.gz JZKUJQUMOPNVAX-CYBMUJFWSA-N 0 3 325.403 2.170 40 0 EEABHN CC(C)[C@H](N)C(=O)N(C)C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079393270 217218274 /nfs/dbraw/zinc/21/82/74/217218274.db2.gz VEKJXDORILGLME-SJORKVTESA-N 0 3 347.459 2.229 40 0 EEABHN NCC(=O)N(C1CC1)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079393017 217218519 /nfs/dbraw/zinc/21/85/19/217218519.db2.gz XMPGGQZONZABJZ-IAGOWNOFSA-N 0 3 345.443 2.174 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000079428196 217223944 /nfs/dbraw/zinc/22/39/44/217223944.db2.gz RELSJCBQUNDPGD-KRWDZBQOSA-N 0 3 347.459 2.135 40 0 EEABHN CN1CCC[C@@H](NC(=O)CCCc2nc(-c3ccccc3)no2)C1 ZINC000012195127 211317161 /nfs/dbraw/zinc/31/71/61/211317161.db2.gz CHMKFCRNGAFYOI-OAHLLOKOSA-N 0 3 328.416 2.270 40 0 EEABHN CCN1CCc2cc(C(=O)NCC3CC3)c(NC(C)C)nc2CC1 ZINC000096260465 218730327 /nfs/dbraw/zinc/73/03/27/218730327.db2.gz MNDZKEPAESIBLB-UHFFFAOYSA-N 0 3 330.476 2.462 40 0 EEABHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1cc(N2CCCC2)ncn1 ZINC000075166324 280082141 /nfs/dbraw/zinc/08/21/41/280082141.db2.gz OVDHBSNVULTPIC-PXAZEXFGSA-N 0 3 340.383 2.244 40 0 EEABHN O[C@@H](CNCc1cc(F)ccc1Br)C1CCOCC1 ZINC000090186782 462785652 /nfs/dbraw/zinc/78/56/52/462785652.db2.gz PCJXMSCPICOBBL-AWEZNQCLSA-N 0 3 332.213 2.465 40 0 EEABHN Cc1cc2nc([C@H]3CCCN(Cc4cnn(C)c4C)C3)cc(N)n2n1 ZINC000019129403 463013806 /nfs/dbraw/zinc/01/38/06/463013806.db2.gz ORVCCFQUCWDXDU-AWEZNQCLSA-N 0 3 339.447 2.041 40 0 EEABHN Cc1noc(C)c1CN1C[C@@]2(CCN(Cc3cccnc3)C2)CC1=O ZINC000096050954 463154572 /nfs/dbraw/zinc/15/45/72/463154572.db2.gz CGUNTUJOOKOECM-IBGZPJMESA-N 0 3 340.427 2.311 40 0 EEABHN Cc1ccc(CN2C[C@H](C(=O)N3CCCC3)C3(C2)CCOCC3)o1 ZINC000096052181 463157044 /nfs/dbraw/zinc/15/70/44/463157044.db2.gz ZTXOIKQNVHVZNI-QGZVFWFLSA-N 0 3 332.444 2.439 40 0 EEABHN c1cc(-c2nnn3c2CO[C@@H](CNCc2ccncc2)C3)cs1 ZINC000096061057 463161437 /nfs/dbraw/zinc/16/14/37/463161437.db2.gz VKJVJBWPSUGQJO-AWEZNQCLSA-N 0 3 327.413 2.090 40 0 EEABHN O=C([C@H]1CO[C@H]2CCN(Cc3ccccc3)C[C@H]2C1)N1CCCCO1 ZINC000096066057 463164189 /nfs/dbraw/zinc/16/41/89/463164189.db2.gz MPFAZCPSXGUTBG-QRVBRYPASA-N 0 3 344.455 2.468 40 0 EEABHN CN(C)CCOCc1ncn2c1CN(Cc1cccs1)CCC2 ZINC000096085053 463170115 /nfs/dbraw/zinc/17/01/15/463170115.db2.gz XRUWDNKGCMQDBV-UHFFFAOYSA-N 0 3 334.489 2.429 40 0 EEABHN CN(C)CCNC(=O)c1cc2c(s1)CCN2C(=O)c1ccccc1 ZINC000096146779 463185600 /nfs/dbraw/zinc/18/56/00/463185600.db2.gz GHBHDHXYMMWPBH-UHFFFAOYSA-N 0 3 343.452 2.242 40 0 EEABHN O=C([C@@H]1CCOC1)N1CCC2(CCCN(Cc3ccccn3)C2)CC1 ZINC000096158508 463189042 /nfs/dbraw/zinc/18/90/42/463189042.db2.gz GJPODRIYDINESD-QGZVFWFLSA-N 0 3 343.471 2.323 40 0 EEABHN COc1ccc(CN2C[C@@H]3CN(C(=O)c4cccnc4)C[C@@H]3C2)cc1 ZINC000096182245 463194561 /nfs/dbraw/zinc/19/45/61/463194561.db2.gz PHYZOJJZYHNDHZ-HDICACEKSA-N 0 3 337.423 2.294 40 0 EEABHN Cn1ccnc1CN1CC[C@@]2(C1)COCCN(Cc1cccs1)C2 ZINC000096202068 463207674 /nfs/dbraw/zinc/20/76/74/463207674.db2.gz OYURLGJTLZEYGI-SFHVURJKSA-N 0 3 346.500 2.206 40 0 EEABHN CN(C)C(=O)C[C@]12COC[C@H]1CN(Cc1ccc3ccccc3n1)C2 ZINC000096206947 463210177 /nfs/dbraw/zinc/21/01/77/463210177.db2.gz GIFKPEZRYCXKQZ-UZLBHIALSA-N 0 3 339.439 2.162 40 0 EEABHN Cc1ccc(CN2CC[C@H]3OCC[C@@]3(CCNC(=O)N(C)C)C2)o1 ZINC000096207774 463210676 /nfs/dbraw/zinc/21/06/76/463210676.db2.gz WSEQQLMCYKJVHA-AEFFLSMTSA-N 0 3 335.448 2.230 40 0 EEABHN O=C(C[C@H]1OC[C@H]2CN(Cc3ccco3)CC[C@@H]12)N1CCCCO1 ZINC000096207535 463210848 /nfs/dbraw/zinc/21/08/48/463210848.db2.gz DNQXHPJWTGPVSJ-DJIMGWMZSA-N 0 3 334.416 2.061 40 0 EEABHN Fc1ccc(CN2CC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)cc1 ZINC000096219391 463216706 /nfs/dbraw/zinc/21/67/06/463216706.db2.gz BIWIINKJSKJOIO-AEFFLSMTSA-N 0 3 328.391 2.461 40 0 EEABHN Cc1cccc(CN2C(=O)CCC23CCN([C@@H]2CCOC2)CC3)n1 ZINC000096228300 463222211 /nfs/dbraw/zinc/22/22/11/463222211.db2.gz KCWWUIKUMYJITD-QGZVFWFLSA-N 0 3 329.444 2.136 40 0 EEABHN COCCN1CC[C@@H](CNC(=O)COc2cccc(Cl)c2C)C1 ZINC000096412385 463244811 /nfs/dbraw/zinc/24/48/11/463244811.db2.gz ZVPVPPQXEJZWRA-AWEZNQCLSA-N 0 3 340.851 2.112 40 0 EEABHN CC(C)[C@@H](C(=O)N1CCC(O[C@@H]2CCOC2)CC1)N1CCCCC1 ZINC000096450869 463273026 /nfs/dbraw/zinc/27/30/26/463273026.db2.gz RXISYEQTSWTVMN-MSOLQXFVSA-N 0 3 338.492 2.293 40 0 EEABHN C[C@@H](NCc1ccc(CN2CCC(O)CC2)cc1)c1cnn(C)c1 ZINC000096477215 463280409 /nfs/dbraw/zinc/28/04/09/463280409.db2.gz FBLOCCIYHYOSFY-OAHLLOKOSA-N 0 3 328.460 2.228 40 0 EEABHN Cc1nccn1CCCN(C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000096489098 463284868 /nfs/dbraw/zinc/28/48/68/463284868.db2.gz CTQBFYNALCJSQT-UHFFFAOYSA-N 0 3 345.834 2.375 40 0 EEABHN Cc1ccc(C(=O)NCc2ccccc2CN2CCC[C@H]2CO)cn1 ZINC000096500981 463291255 /nfs/dbraw/zinc/29/12/55/463291255.db2.gz WJEXVNAFNMRFAZ-IBGZPJMESA-N 0 3 339.439 2.277 40 0 EEABHN CNC(=O)NC(=O)CN[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000097103543 463325493 /nfs/dbraw/zinc/32/54/93/463325493.db2.gz OQHIQBDJPDJXNN-DGCLKSJQSA-N 0 3 343.349 2.387 40 0 EEABHN CC1CCN(CCCc2noc([C@H]3CC(=O)N(CC4CC4)C3)n2)CC1 ZINC000097212442 463348710 /nfs/dbraw/zinc/34/87/10/463348710.db2.gz DHERYAHYIQZAMV-INIZCTEOSA-N 0 3 346.475 2.460 40 0 EEABHN C[C@@H]1CC(NCc2c(F)cccc2S(=O)(=O)N(C)C)C[C@@H](C)O1 ZINC000097231064 463351567 /nfs/dbraw/zinc/35/15/67/463351567.db2.gz NKMGQNPSPIUYME-VXGBXAGGSA-N 0 3 344.452 2.122 40 0 EEABHN COc1ncccc1CN1CC[C@]2(C1)C(=O)NC[C@@H]2c1ccccc1 ZINC000107195649 463561077 /nfs/dbraw/zinc/56/10/77/463561077.db2.gz OKYVADWXIMDEJQ-YLJYHZDGSA-N 0 3 337.423 2.196 40 0 EEABHN CN1CCN(C(=O)c2cc[nH]n2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257332902 463780749 /nfs/dbraw/zinc/78/07/49/463780749.db2.gz XZHBQLYPDFZULG-OAHLLOKOSA-N 0 3 349.438 2.204 40 0 EEABHN CN1CCN(C(=O)c2ccn[nH]2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257332902 463780754 /nfs/dbraw/zinc/78/07/54/463780754.db2.gz XZHBQLYPDFZULG-OAHLLOKOSA-N 0 3 349.438 2.204 40 0 EEABHN COc1ccc(CC(=O)N2CCO[C@H](c3cc(N)cc(C)n3)C2)cc1 ZINC000257335143 463783280 /nfs/dbraw/zinc/78/32/80/463783280.db2.gz YIVSRTWYNDDERK-SFHVURJKSA-N 0 3 341.411 2.123 40 0 EEABHN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2NCC(C)(C)O)cc1 ZINC000185413679 463817924 /nfs/dbraw/zinc/81/79/24/463817924.db2.gz HDBQGXXRXXTCSV-JKSUJKDBSA-N 0 3 325.474 2.440 40 0 EEABHN Cc1cccc(CN2CCC(NC(=O)N(C)CC3CC(O)C3)CC2)c1 ZINC000195575693 464079742 /nfs/dbraw/zinc/07/97/42/464079742.db2.gz XTDVDMTWSBARQQ-UHFFFAOYSA-N 0 3 345.487 2.372 40 0 EEABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@@]2(CN)CO)cc1 ZINC000218501533 464108904 /nfs/dbraw/zinc/10/89/04/464108904.db2.gz OUXRPUDVMCRVIM-KZNAEPCWSA-N 0 3 349.427 2.011 40 0 EEABHN CCS(=O)(=O)c1ccc(NCC2(N(C)C)CCOCC2)cc1 ZINC000225518965 464168159 /nfs/dbraw/zinc/16/81/59/464168159.db2.gz KGAGWXLGWPZRKS-UHFFFAOYSA-N 0 3 326.462 2.003 40 0 EEABHN CN(Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188917399 464395527 /nfs/dbraw/zinc/39/55/27/464395527.db2.gz RUHLULNUBGJBEG-FUHWJXTLSA-N 0 3 345.418 2.228 40 0 EEABHN COc1c2c(c([C@@](C)(O)C(F)(F)F)c3c1CN(C)CC3)OCO2 ZINC000242574984 464457022 /nfs/dbraw/zinc/45/70/22/464457022.db2.gz NNTYIRPPSTVDPH-CQSZACIVSA-N 0 3 333.306 2.182 40 0 EEABHN NCC(=O)N[C@H]1CC[C@H](N(C(=O)OCc2ccccc2)C2CC2)CC1 ZINC000242581652 464457304 /nfs/dbraw/zinc/45/73/04/464457304.db2.gz OAJYBSVHPITBAF-WKILWMFISA-N 0 3 345.443 2.174 40 0 EEABHN Cc1ccccc1CCC(=O)N1Cc2ccnn2CC[C@@H]1CN(C)C ZINC000585096756 468964676 /nfs/dbraw/zinc/96/46/76/468964676.db2.gz CGJQGIUUZYJEEF-GOSISDBHSA-N 0 3 340.471 2.487 40 0 EEABHN CCCCN1CCC[C@@]2(CC(C(=O)NCc3cscn3)=NO2)C1 ZINC000585101083 468969334 /nfs/dbraw/zinc/96/93/34/468969334.db2.gz BVLTWKSURLMFTK-MRXNPFEDSA-N 0 3 336.461 2.170 40 0 EEABHN CN(Cc1ccc(OCCCO)cc1)C[C@H](O)COc1ccccc1 ZINC000585269685 468998075 /nfs/dbraw/zinc/99/80/75/468998075.db2.gz HVDWSISINDKDPT-SFHVURJKSA-N 0 3 345.439 2.320 40 0 EEABHN OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)CN1Cc1ccc2[nH]cnc2c1 ZINC000585293004 469011879 /nfs/dbraw/zinc/01/18/79/469011879.db2.gz QWWOYWIGKFDFKM-ATZDWAIDSA-N 0 3 341.386 2.023 40 0 EEABHN OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)CN1Cc1ccc2nc[nH]c2c1 ZINC000585293004 469011889 /nfs/dbraw/zinc/01/18/89/469011889.db2.gz QWWOYWIGKFDFKM-ATZDWAIDSA-N 0 3 341.386 2.023 40 0 EEABHN Cc1cccc(CN2C[C@H](c3ccc(Cl)cc3)[C@@H](O)[C@H]2CO)n1 ZINC000585292222 469012298 /nfs/dbraw/zinc/01/22/98/469012298.db2.gz GFALOMMXWQGBJL-KZNAEPCWSA-N 0 3 332.831 2.365 40 0 EEABHN CN1CCC[C@@H](Cc2cnc(C(=O)NCc3ccccc3F)cn2)C1 ZINC000072360424 216167843 /nfs/dbraw/zinc/16/78/43/216167843.db2.gz SCCLMOQRXLOUND-AWEZNQCLSA-N 0 3 342.418 2.430 40 0 EEABHN CN1CCC(NC(=O)COc2ccc(Br)cc2)CC1 ZINC000023421676 212376541 /nfs/dbraw/zinc/37/65/41/212376541.db2.gz RWLOHDYAMWJYOI-UHFFFAOYSA-N 0 3 327.222 2.038 40 0 EEABHN CN(CCCN1CCN(C)CC1)C(=O)C(C)(C)c1ccc(F)cc1 ZINC000078914864 217147125 /nfs/dbraw/zinc/14/71/25/217147125.db2.gz KOVJOQAAJYNQJF-UHFFFAOYSA-N 0 3 335.467 2.199 40 0 EEABHN CN(C)CCNC(=O)c1ccc(CNC(=O)C=C2CCCCC2)cc1 ZINC000079001469 217171183 /nfs/dbraw/zinc/17/11/83/217171183.db2.gz FQAXAYPFIGWNRU-UHFFFAOYSA-N 0 3 343.471 2.485 40 0 EEABHN O=C1CC[C@H](c2nc(C3CCN(Cc4cccs4)CC3)no2)N1 ZINC000012337310 211351396 /nfs/dbraw/zinc/35/13/96/211351396.db2.gz FRKUUVFEAJRVLD-CYBMUJFWSA-N 0 3 332.429 2.462 40 0 EEABHN CCN(C)c1ccccc1NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000096434903 279046523 /nfs/dbraw/zinc/04/65/23/279046523.db2.gz ZZOHRSQHGXSFHO-MRXNPFEDSA-N 0 3 347.507 2.148 40 0 EEABHN Cc1cc(=O)c(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)c[nH]1 ZINC000153806292 323330803 /nfs/dbraw/zinc/33/08/03/323330803.db2.gz UNMVEGFYDPKBJS-FQEVSTJZSA-N 0 3 339.439 2.468 40 0 EEABHN Cn1nc(C2CCN(Cc3ccccn3)CC2)n(-c2ccccc2)c1=O ZINC000075165414 462690041 /nfs/dbraw/zinc/69/00/41/462690041.db2.gz UZOJCRSPZSHKDX-UHFFFAOYSA-N 0 3 349.438 2.346 40 0 EEABHN CCOc1cc(CNCCOC)ccc1OCC(=O)NC(C)(C)C ZINC000008254418 462774854 /nfs/dbraw/zinc/77/48/54/462774854.db2.gz SMYGJPJBPOXLJQ-UHFFFAOYSA-N 0 3 338.448 2.115 40 0 EEABHN O=C1[C@H]2CN(Cc3ccccn3)C[C@H]2CN1Cc1cccc(F)c1 ZINC000096053715 463156433 /nfs/dbraw/zinc/15/64/33/463156433.db2.gz WUHPBRLXSHINGZ-YJBOKZPZSA-N 0 3 325.387 2.311 40 0 EEABHN O=C(NCC1CC1)[C@H]1CO[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000096065991 463164861 /nfs/dbraw/zinc/16/48/61/463164861.db2.gz GQPNVTOPZBRTEM-QRVBRYPASA-N 0 3 328.456 2.440 40 0 EEABHN CCN(CC)Cc1cnc2n1CCN(Cc1cccnc1OC)CC2 ZINC000096196828 463203444 /nfs/dbraw/zinc/20/34/44/463203444.db2.gz MNSCVLLTMJLKPU-UHFFFAOYSA-N 0 3 343.475 2.187 40 0 EEABHN Cc1cccc(C(=O)N2CC[C@@H](N(C)C)[C@@H]2Cc2cnn(C)c2)c1 ZINC000096200917 463205640 /nfs/dbraw/zinc/20/56/40/463205640.db2.gz HUOOGULNJMJCSB-MSOLQXFVSA-N 0 3 326.444 2.116 40 0 EEABHN COCCO[C@H]1CCN(Cc2ccc(F)cc2)[C@H]1Cc1cnn(C)c1 ZINC000096200644 463206321 /nfs/dbraw/zinc/20/63/21/463206321.db2.gz ZDEPGXSWVALWGB-OALUTQOASA-N 0 3 347.434 2.408 40 0 EEABHN COC[C@H]1CC2(CN1Cc1cccnc1)CCN(C(=O)C1CC1)CC2 ZINC000096208453 463212419 /nfs/dbraw/zinc/21/24/19/463212419.db2.gz VIJONLNOCAJJFR-GOSISDBHSA-N 0 3 343.471 2.321 40 0 EEABHN Cc1ncsc1CN1CC[C@]2(C1)C[C@@H](Nc1ncccn1)CCO2 ZINC000096209536 463213956 /nfs/dbraw/zinc/21/39/56/463213956.db2.gz UPHKOACPTBECQO-WMLDXEAASA-N 0 3 345.472 2.477 40 0 EEABHN CC[C@H]1c2cccn2CCN1C(=O)c1ccnc(OCCN(C)C)c1 ZINC000096500653 463289970 /nfs/dbraw/zinc/28/99/70/463289970.db2.gz MDZDKYLZHKTJIT-INIZCTEOSA-N 0 3 342.443 2.431 40 0 EEABHN COC(=O)c1sccc1CN1CCN(CC2CCOCC2)CC1 ZINC000097227568 463350076 /nfs/dbraw/zinc/35/00/76/463350076.db2.gz FWRVHEXFGIAJTB-UHFFFAOYSA-N 0 3 338.473 2.079 40 0 EEABHN COc1ccccc1[C@H](CN)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000035622920 463433373 /nfs/dbraw/zinc/43/33/73/463433373.db2.gz FLWOQQLEUGTSJR-ZFWWWQNUSA-N 0 3 335.448 2.294 40 0 EEABHN Cc1cccc(CN2CCC[C@@]3(C[C@@H](CN4CCOCC4)CO3)C2)n1 ZINC000107790497 463583199 /nfs/dbraw/zinc/58/31/99/463583199.db2.gz WAUJAMRVEFMVGK-AZUAARDMSA-N 0 3 345.487 2.093 40 0 EEABHN COCC1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000073611595 463631761 /nfs/dbraw/zinc/63/17/61/463631761.db2.gz QIIRYORNHQLVCP-UHFFFAOYSA-N 0 3 345.487 2.084 40 0 EEABHN COc1cccc(/C(C)=C/C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000110670202 463661643 /nfs/dbraw/zinc/66/16/43/463661643.db2.gz UFKUDKRSTKNMLM-AOXAOBTDSA-N 0 3 330.428 2.078 40 0 EEABHN CN(CCC(=O)N1CCC[C@@H](c2ccncn2)C1)Cc1cccnc1 ZINC000257283119 463761486 /nfs/dbraw/zinc/76/14/86/463761486.db2.gz OWVBPYNMOXLCSQ-QGZVFWFLSA-N 0 3 339.443 2.100 40 0 EEABHN CN(C)Cc1cnc([C@H]2CCN(C(=O)c3cc(F)cc(F)c3)C2)[nH]1 ZINC000257297052 463767290 /nfs/dbraw/zinc/76/72/90/463767290.db2.gz RFOWWMIHCHOXTC-NSHDSACASA-N 0 3 334.370 2.379 40 0 EEABHN Cc1[nH]ncc1[C@@H](C)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000181178204 464454833 /nfs/dbraw/zinc/45/48/33/464454833.db2.gz WSBHIUZXHUSTLM-CYBMUJFWSA-N 0 3 343.431 2.162 40 0 EEABHN O[C@@H](COc1ccccc1)CN1CCCN(c2cncc(F)c2)CC1 ZINC000253393950 464999002 /nfs/dbraw/zinc/99/90/02/464999002.db2.gz IJQBGONPQZQBJF-GOSISDBHSA-N 0 3 345.418 2.173 40 0 EEABHN COCCN1C[C@]2(CC1=O)COCCN(Cc1cc(C)ccc1C)C2 ZINC000585103395 468970309 /nfs/dbraw/zinc/97/03/09/468970309.db2.gz BTALOTZKIIFYRU-HXUWFJFHSA-N 0 3 346.471 2.001 40 0 EEABHN CC(=O)N[C@H]1CCCN(Cc2cnn(C)c2)[C@H]1Cc1ccccc1 ZINC000585268822 468995010 /nfs/dbraw/zinc/99/50/10/468995010.db2.gz AJBIHLAWEZOWMA-OALUTQOASA-N 0 3 326.444 2.132 40 0 EEABHN CN(C)C(=O)CC[C@]1(O)CCCN(Cc2cccc3cccnc32)C1 ZINC000585279076 469004174 /nfs/dbraw/zinc/00/41/74/469004174.db2.gz SNPYJSUSBRWGOF-HXUWFJFHSA-N 0 3 341.455 2.430 40 0 EEABHN Cc1cc(C)n(Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)n1 ZINC000061620119 214668214 /nfs/dbraw/zinc/66/82/14/214668214.db2.gz NYQGLKPXAVGYGG-UHFFFAOYSA-N 0 3 326.444 2.372 40 0 EEABHN Cc1nc[nH]c1CN1CCC2(CC1)Nc1ccccc1C1=NCCN12 ZINC000072327161 216152743 /nfs/dbraw/zinc/15/27/43/216152743.db2.gz ZKWURXBXRXZAMM-UHFFFAOYSA-N 0 3 336.443 2.198 40 0 EEABHN COCCC(=O)N1CCC(NCc2ccc(Br)o2)CC1 ZINC000191358939 239066296 /nfs/dbraw/zinc/06/62/96/239066296.db2.gz SLCYUHLCGWNPTL-UHFFFAOYSA-N 0 3 345.237 2.159 40 0 EEABHN Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)CO)cc1 ZINC000218401030 241320385 /nfs/dbraw/zinc/32/03/85/241320385.db2.gz RCZVEFRQLJYONB-OTWHNJEPSA-N 0 3 345.464 2.181 40 0 EEABHN NC(=O)c1cccc(CCNCc2cccc3c2OCCCO3)c1 ZINC000078553602 217075136 /nfs/dbraw/zinc/07/51/36/217075136.db2.gz MAUOSILGTSAIDK-UHFFFAOYSA-N 0 3 326.396 2.279 40 0 EEABHN CCc1ccccc1NC(=O)C[C@H](C)NC[C@@](C)(O)c1cnn(C)c1 ZINC000095423103 218365137 /nfs/dbraw/zinc/36/51/37/218365137.db2.gz OUFHWUPEANRFGN-IFXJQAMLSA-N 0 3 344.459 2.197 40 0 EEABHN CN1CCCc2ccc(S(=O)(=O)NC[C@H](N)c3ccccc3)cc21 ZINC000095432044 218374897 /nfs/dbraw/zinc/37/48/97/218374897.db2.gz KLUISFAXVKFNKR-KRWDZBQOSA-N 0 3 345.468 2.047 40 0 EEABHN CN(C)CCOc1cc(C(=O)N2CCC[C@@H]2c2ccncc2)ccn1 ZINC000097237454 219003031 /nfs/dbraw/zinc/00/30/31/219003031.db2.gz PYGOBAJZMWYDJI-QGZVFWFLSA-N 0 3 340.427 2.394 40 0 EEABHN C[C@H](N)C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000163993714 226036102 /nfs/dbraw/zinc/03/61/02/226036102.db2.gz RVDAVLLFCILEJT-LBPRGKRZSA-N 0 3 329.366 2.087 40 0 EEABHN C[C@@H]1C[C@H](N2C(=O)[C@@H]3CCCN3C2=O)CCN1Cc1ccccc1 ZINC000253630278 278014718 /nfs/dbraw/zinc/01/47/18/278014718.db2.gz WKLKSXSJUWMMBS-OIISXLGYSA-N 0 3 327.428 2.466 40 0 EEABHN CCOC(=O)c1cnc2c(OC)ccc(Cl)c2c1N1CCNCC1 ZINC000064874731 462725947 /nfs/dbraw/zinc/72/59/47/462725947.db2.gz QFKWPMBSRATCIY-UHFFFAOYSA-N 0 3 349.818 2.483 40 0 EEABHN CS(=O)(=O)N1CCC[C@@H]1CN[C@@H]1CCSc2ccc(F)cc21 ZINC000090799494 462810402 /nfs/dbraw/zinc/81/04/02/462810402.db2.gz RKYLDNJKUPVEGE-TZMCWYRMSA-N 0 3 344.477 2.376 40 0 EEABHN CCOC(=O)C[C@@H](N)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000012648437 462862426 /nfs/dbraw/zinc/86/24/26/462862426.db2.gz LMHWUCOFJHJIFA-HZPDHXFCSA-N 0 3 334.416 2.458 40 0 EEABHN O=C(NC1CCC1)[C@@H]1CN(CCc2ccccc2)C[C@H]2OCC[C@H]21 ZINC000096038881 463143806 /nfs/dbraw/zinc/14/38/06/463143806.db2.gz VLQMVONCZVPFCJ-IPMKNSEASA-N 0 3 328.456 2.235 40 0 EEABHN Cc1ccc(CN2C[C@@H]3COC[C@H](C(=O)Nc4cccnc4)[C@@H]3C2)o1 ZINC000096040766 463144918 /nfs/dbraw/zinc/14/49/18/463144918.db2.gz YSSSULURIKQUQP-OLMNPRSZSA-N 0 3 341.411 2.316 40 0 EEABHN O=C(N[C@H]1CCC12CCN(Cc1ccoc1)CC2)c1cnccn1 ZINC000096051480 463155190 /nfs/dbraw/zinc/15/51/90/463155190.db2.gz FZNJHRNIMCJTCR-INIZCTEOSA-N 0 3 326.400 2.244 40 0 EEABHN Cc1cccc(CO[C@H]2C[C@H]3CN(Cc4ccccn4)CCN3C2)n1 ZINC000096055097 463156489 /nfs/dbraw/zinc/15/64/89/463156489.db2.gz QXMPXPYBLMDLPY-PMACEKPBSA-N 0 3 338.455 2.260 40 0 EEABHN Cc1ccc(CN2C[C@@H]3COC[C@@H](CC(=O)NCC4CC4)[C@@H]3C2)o1 ZINC000096057165 463158584 /nfs/dbraw/zinc/15/85/84/463158584.db2.gz SECVFGZQBBMKNB-NUJGCVRESA-N 0 3 332.444 2.199 40 0 EEABHN Cc1nn2cccnc2c1C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000078879056 463158970 /nfs/dbraw/zinc/15/89/70/463158970.db2.gz GDHHPPZZQUKEBQ-AWEZNQCLSA-N 0 3 337.427 2.288 40 0 EEABHN COc1ccc(CN2CC[C@@H]3[C@H](CNC(=O)C4CC4)OC[C@@H]3C2)cc1 ZINC000096110766 463178543 /nfs/dbraw/zinc/17/85/43/463178543.db2.gz LYAVYMMJRMOCFJ-WDSOQIARSA-N 0 3 344.455 2.058 40 0 EEABHN Fc1cnc(N2CCOC[C@@]3(CCN(Cc4cccs4)C3)C2)nc1 ZINC000096202179 463207547 /nfs/dbraw/zinc/20/75/47/463207547.db2.gz NCKZMSXNRWXAER-QGZVFWFLSA-N 0 3 348.447 2.406 40 0 EEABHN CS(=O)(=O)N1CCC[C@H](CN2CCCc3sccc3C2)C1 ZINC000096461283 463276303 /nfs/dbraw/zinc/27/63/03/463276303.db2.gz JKRLNOYGHOCPOE-CYBMUJFWSA-N 0 3 328.503 2.168 40 0 EEABHN Cc1cccn2cc(CCN[C@@H]3CCCC[C@H]3S(C)(=O)=O)nc12 ZINC000096491685 463286621 /nfs/dbraw/zinc/28/66/21/463286621.db2.gz AYSWSKFUXZGFIL-HZPDHXFCSA-N 0 3 335.473 2.131 40 0 EEABHN COc1cc(Br)ccc1CN[C@H](C)Cn1cncn1 ZINC000096500751 463291963 /nfs/dbraw/zinc/29/19/63/463291963.db2.gz IQWPPUVHZOWZHK-SNVBAGLBSA-N 0 3 325.210 2.228 40 0 EEABHN Cc1cccc(CN2CC[C@@]3(CCC[C@@H]3C(=O)N3CCOCC3)C2)n1 ZINC000108530063 463610141 /nfs/dbraw/zinc/61/01/41/463610141.db2.gz ORDOJSWLOSDEPK-QUCCMNQESA-N 0 3 343.471 2.241 40 0 EEABHN Cc1cccc(CN2CCC3(CC2)C[C@@H](NC(=O)N(C)C)CCO3)n1 ZINC000108527430 463610356 /nfs/dbraw/zinc/61/03/56/463610356.db2.gz BISQZJJAVNHENG-INIZCTEOSA-N 0 3 346.475 2.175 40 0 EEABHN Cn1cncc1CN1CC[C@]2(CCC[C@@H]2C(=O)NCc2ccco2)C1 ZINC000108531011 463610471 /nfs/dbraw/zinc/61/04/71/463610471.db2.gz QDTMNCUFNLJUTJ-IEBWSBKVSA-N 0 3 342.443 2.322 40 0 EEABHN Cc1cc(N(C)C2CC3(C2)CCN(Cc2cnn(C)c2)C3)ncn1 ZINC000257295159 463766365 /nfs/dbraw/zinc/76/63/65/463766365.db2.gz QXFDEVAGWBJURM-UHFFFAOYSA-N 0 3 326.448 2.009 40 0 EEABHN CN(C)Cc1cnc([C@@H]2CCN(C(=O)c3cc(F)cc(F)c3)C2)[nH]1 ZINC000257297051 463767357 /nfs/dbraw/zinc/76/73/57/463767357.db2.gz RFOWWMIHCHOXTC-LLVKDONJSA-N 0 3 334.370 2.379 40 0 EEABHN CNc1nc([C@@H]2CCN(CC(C)(C)C)C2)nc2c1CCN(C(C)=O)C2 ZINC000257330593 463781537 /nfs/dbraw/zinc/78/15/37/463781537.db2.gz XPABWEWPGAQNIB-CQSZACIVSA-N 0 3 345.491 2.258 40 0 EEABHN COCCN1CCC[C@H]1CNC(=O)NCc1ccc2ncccc2c1 ZINC000194164357 463806641 /nfs/dbraw/zinc/80/66/41/463806641.db2.gz FDNVBFVLGMCZJD-KRWDZBQOSA-N 0 3 342.443 2.145 40 0 EEABHN CN(C)c1ncc(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cn1 ZINC000225563913 464171947 /nfs/dbraw/zinc/17/19/47/464171947.db2.gz NGKYUUZYIQXHKF-HZPDHXFCSA-N 0 3 340.431 2.110 40 0 EEABHN C[C@@H](Cc1ccccc1F)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000188219935 464227105 /nfs/dbraw/zinc/22/71/05/464227105.db2.gz AXQQGZBMQKOFHE-BBRMVZONSA-N 0 3 330.407 2.275 40 0 EEABHN O=C([C@H]1CCCO1)N1CCC[C@]2(CCCN2Cc2cccnc2)C1 ZINC000247965021 464717689 /nfs/dbraw/zinc/71/76/89/464717689.db2.gz YYIJXDFCNSPPBH-MJGOQNOKSA-N 0 3 329.444 2.218 40 0 EEABHN Cn1nccc1N1CCC[C@@H](NCc2ccnn2-c2ccccc2)C1 ZINC000253430398 465013576 /nfs/dbraw/zinc/01/35/76/465013576.db2.gz WFROUYAHTIAYEV-MRXNPFEDSA-N 0 3 336.443 2.364 40 0 EEABHN CN1CC[C@]12CCCN(C(=O)c1ccc(NC(=O)C3CC3)cc1)C2 ZINC000585102239 468971005 /nfs/dbraw/zinc/97/10/05/468971005.db2.gz VDISGTMUPOFJLG-IBGZPJMESA-N 0 3 327.428 2.345 40 0 EEABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2ccc(F)cc2F)c1 ZINC000585182479 468996303 /nfs/dbraw/zinc/99/63/03/468996303.db2.gz PNLOTFBKLOHPJL-GOSISDBHSA-N 0 3 345.393 2.471 40 0 EEABHN COC[C@@]1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000242728098 563964533 /nfs/dbraw/zinc/96/45/33/563964533.db2.gz YSYLHMUKBHEYIN-KZNAEPCWSA-N 0 3 331.437 2.218 40 0 EEABHN CNc1cncc(C2CCN(C(=O)[C@@]3(C)CCCCN3C)CC2)n1 ZINC000072367316 216174746 /nfs/dbraw/zinc/17/47/46/216174746.db2.gz LOACYTLQAISWJB-GOSISDBHSA-N 0 3 331.464 2.099 40 0 EEABHN CCOC[C@@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)CC ZINC000218487798 241326209 /nfs/dbraw/zinc/32/62/09/241326209.db2.gz NSQPMHFRCVFZSJ-ILXRZTDVSA-N 0 3 331.865 2.222 40 0 EEABHN CCOC[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)CC ZINC000218483618 241326334 /nfs/dbraw/zinc/32/63/34/241326334.db2.gz NNSYYNHRRXZOLI-SOUVJXGZSA-N 0 3 331.865 2.222 40 0 EEABHN COCc1cc(=O)[nH]c([C@H]2CCCN(Cc3ccc(F)cc3)C2)n1 ZINC000019594310 212050354 /nfs/dbraw/zinc/05/03/54/212050354.db2.gz ODDFCHJCRGHJJJ-AWEZNQCLSA-N 0 3 331.391 2.435 40 0 EEABHN Cc1nc([C@H]2CCN(Cc3cncn3Cc3ccccc3)C2)cc(=O)[nH]1 ZINC000019285286 212009653 /nfs/dbraw/zinc/00/96/53/212009653.db2.gz OVVHKCFSFDQCCT-KRWDZBQOSA-N 0 3 349.438 2.313 40 0 EEABHN CC(C)[C@H](N)C(=O)N(C)C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079393268 217218423 /nfs/dbraw/zinc/21/84/23/217218423.db2.gz VEKJXDORILGLME-IRXDYDNUSA-N 0 3 347.459 2.229 40 0 EEABHN CC(C)N(C(=O)[C@H](C)N)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079393160 217219003 /nfs/dbraw/zinc/21/90/03/217219003.db2.gz WUZJHOALCLSTJO-RDJZCZTQSA-N 0 3 347.459 2.372 40 0 EEABHN Cc1cc([C@H](C)N[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)c(C)s1 ZINC000097373657 219017213 /nfs/dbraw/zinc/01/72/13/219017213.db2.gz ILCYVKIFKYBJRH-RYUDHWBXSA-N 0 3 337.489 2.128 40 0 EEABHN Ic1ccc2nccc(N3CCNCC3)c2c1 ZINC000141169655 274916192 /nfs/dbraw/zinc/91/61/92/274916192.db2.gz MQTKGZOYBXDLTD-UHFFFAOYSA-N 0 3 339.180 2.249 40 0 EEABHN Cc1nn2cccnc2c1C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000078879054 279218235 /nfs/dbraw/zinc/21/82/35/279218235.db2.gz GDHHPPZZQUKEBQ-CQSZACIVSA-N 0 3 337.427 2.288 40 0 EEABHN CC(C)N(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)[C@H](C)N)CC1 ZINC000252517873 279299565 /nfs/dbraw/zinc/29/95/65/279299565.db2.gz TXZNHQJZIQDLKR-IHRRRGAJSA-N 0 3 327.469 2.407 40 0 EEABHN C[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1N(C(=O)OC(C)(C)C)C1CC1 ZINC000079409944 298948116 /nfs/dbraw/zinc/94/81/16/298948116.db2.gz RHLFUOVDQAIGMZ-UBHSHLNASA-N 0 3 325.453 2.161 40 0 EEABHN NCC(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 ZINC000257227917 303365497 /nfs/dbraw/zinc/36/54/97/303365497.db2.gz FROFBVNIYRJZOZ-AWEZNQCLSA-N 0 3 345.834 2.392 40 0 EEABHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cnn2c1OCCC2 ZINC000077889078 463067640 /nfs/dbraw/zinc/06/76/40/463067640.db2.gz VEGVNBYYUCABRG-UHFFFAOYSA-N 0 3 340.427 2.060 40 0 EEABHN COc1ccccc1CN1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCCC2)C1 ZINC000096041154 463144782 /nfs/dbraw/zinc/14/47/82/463144782.db2.gz YLKBXNCLXXOIAT-JENIJYKNSA-N 0 3 344.455 2.155 40 0 EEABHN O=C1N(Cc2ccncc2)CC[C@]12CCCN(Cc1cccnc1)C2 ZINC000096048666 463152081 /nfs/dbraw/zinc/15/20/81/463152081.db2.gz KNUKDAUASMKHKB-FQEVSTJZSA-N 0 3 336.439 2.491 40 0 EEABHN COCCC(=O)N1CCC2(CCN(Cc3ccccn3)CC2)CC1 ZINC000096158388 463188448 /nfs/dbraw/zinc/18/84/48/463188448.db2.gz YLIYDGJCLBRJGX-UHFFFAOYSA-N 0 3 331.460 2.323 40 0 EEABHN O=S(=O)(C1CC1)N1CCC2(CCN(Cc3ccccn3)CC2)CC1 ZINC000096158395 463188745 /nfs/dbraw/zinc/18/87/45/463188745.db2.gz QMMOPHIYWNCSRD-UHFFFAOYSA-N 0 3 349.500 2.252 40 0 EEABHN CSCC[C@H](N)C(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000157964890 463190891 /nfs/dbraw/zinc/19/08/91/463190891.db2.gz VQUAMHQEJXQJPN-YPMHNXCESA-N 0 3 328.865 2.400 40 0 EEABHN CSCC[C@H](N)C(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000158127542 463207790 /nfs/dbraw/zinc/20/77/90/463207790.db2.gz LRZSFDOWEYIDBC-LSDHHAIUSA-N 0 3 326.437 2.114 40 0 EEABHN c1coc(CN2CCC3(CC2)COCCN(c2ncccn2)C3)c1 ZINC000096240005 463224483 /nfs/dbraw/zinc/22/44/83/463224483.db2.gz DMQBSPAXLUPPGA-UHFFFAOYSA-N 0 3 328.416 2.189 40 0 EEABHN CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000097229385 463351103 /nfs/dbraw/zinc/35/11/03/463351103.db2.gz LYVWTCJMQCJPQU-TZMCWYRMSA-N 0 3 344.864 2.338 40 0 EEABHN Cn1cncc1CN1CC[C@@]2(CCC[C@H]2C(=O)NCc2ccco2)C1 ZINC000108531014 463610428 /nfs/dbraw/zinc/61/04/28/463610428.db2.gz QDTMNCUFNLJUTJ-HKUYNNGSSA-N 0 3 342.443 2.322 40 0 EEABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000073743003 463651241 /nfs/dbraw/zinc/65/12/41/463651241.db2.gz SOFLGTKCXJTWNR-LLVKDONJSA-N 0 3 327.787 2.018 40 0 EEABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(F)(F)F ZINC000073743168 463651433 /nfs/dbraw/zinc/65/14/33/463651433.db2.gz DVSYYUFOAYGSII-LLVKDONJSA-N 0 3 343.349 2.244 40 0 EEABHN CCN1CCN(CCC(=O)NC(C)(C)c2nc(C)c(C)s2)CC1 ZINC000073845654 463661846 /nfs/dbraw/zinc/66/18/46/463661846.db2.gz BNHOMPZLFNRVQD-UHFFFAOYSA-N 0 3 338.521 2.139 40 0 EEABHN NC(=O)c1cnn2c1nccc2[C@H]1CCCN(Cc2ccccc2)C1 ZINC000257313044 463773048 /nfs/dbraw/zinc/77/30/48/463773048.db2.gz UQTZQMQQHCXYQK-HNNXBMFYSA-N 0 3 335.411 2.208 40 0 EEABHN COc1cc(CNC(=O)[C@@H]2CCCCN2)ccc1OCC(F)(F)F ZINC000237348247 464306499 /nfs/dbraw/zinc/30/64/99/464306499.db2.gz AXUHDXSAROBIEK-LBPRGKRZSA-N 0 3 346.349 2.395 40 0 EEABHN COC(=O)[C@@H]1C[C@H](O)[C@@H](N2CCC[C@H](c3nc4ccccc4o3)C2)C1 ZINC000247870578 464710936 /nfs/dbraw/zinc/71/09/36/464710936.db2.gz ZINDOYVMJUWDEC-SDADXPQNSA-N 0 3 344.411 2.320 40 0 EEABHN Cc1cc(CN2CC3(C2)C[C@@H](COc2ccccn2)CCN3C)no1 ZINC000248105856 464730026 /nfs/dbraw/zinc/73/00/26/464730026.db2.gz FUQCDNJMVRWKBB-INIZCTEOSA-N 0 3 342.443 2.353 40 0 EEABHN CN1CC[C@H](COc2ccccn2)CC12CN(Cc1ccccn1)C2 ZINC000248085564 464730049 /nfs/dbraw/zinc/73/00/49/464730049.db2.gz BDTIVZWSFXLIHY-KRWDZBQOSA-N 0 3 338.455 2.452 40 0 EEABHN Cn1nncc1CN[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000253418766 465007652 /nfs/dbraw/zinc/00/76/52/465007652.db2.gz XDYALIFHUSYPPH-LLVKDONJSA-N 0 3 341.337 2.082 40 0 EEABHN Cc1ccsc1CN1CCN(C2=NO[C@H]3CN(C(C)C)C[C@@H]23)CC1 ZINC000306129343 466489654 /nfs/dbraw/zinc/48/96/54/466489654.db2.gz IBASQDVAOJDOPD-CVEARBPZSA-N 0 3 348.516 2.227 40 0 EEABHN CCOC(=O)C1=C(C)NC(SCC(=O)OC)=N[C@H]1c1ccccc1 ZINC000408993768 466684111 /nfs/dbraw/zinc/68/41/11/466684111.db2.gz XKUSJZQPMMWTGY-HNNXBMFYSA-N 0 3 348.424 2.430 40 0 EEABHN CN(C)C/C=C/C(=O)N1CC[C@@H](O)[C@H](Cc2ccc(Cl)cc2)C1 ZINC000585289205 469009120 /nfs/dbraw/zinc/00/91/20/469009120.db2.gz FYWGOIGLLCRZSI-GILVVUIESA-N 0 3 336.863 2.210 40 0 EEABHN CNc1cnc(C[C@@H]2CCCN(Cc3cnn(C)c3C)CC2)cn1 ZINC000257256599 536421754 /nfs/dbraw/zinc/42/17/54/536421754.db2.gz KMDZKDVPDYGUBB-OAHLLOKOSA-N 0 3 328.464 2.405 40 0 EEABHN COC[C@]1(CN)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242728099 563964523 /nfs/dbraw/zinc/96/45/23/563964523.db2.gz YSYLHMUKBHEYIN-RCCFBDPRSA-N 0 3 331.437 2.218 40 0 EEABHN CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000100177748 219093091 /nfs/dbraw/zinc/09/30/91/219093091.db2.gz KXKOVSZCDFQOAD-BBWFWOEESA-N 0 3 347.459 2.324 40 0 EEABHN CCN1CCN(Cc2ccc(CNC(=O)c3ccccn3)cc2)CC1 ZINC000040115655 213268841 /nfs/dbraw/zinc/26/88/41/213268841.db2.gz XILYMGRRGNINLP-UHFFFAOYSA-N 0 3 338.455 2.149 40 0 EEABHN Cc1c[nH]nc1[C@H]1CCCN(C(=O)CCN(C)Cc2cccnc2)C1 ZINC000257242782 244248748 /nfs/dbraw/zinc/24/87/48/244248748.db2.gz IECVDAPQWUKOQO-KRWDZBQOSA-N 0 3 341.459 2.341 40 0 EEABHN Cc1cn[nH]c1[C@H]1CCCN(C(=O)CCN(C)Cc2cccnc2)C1 ZINC000257242782 244248755 /nfs/dbraw/zinc/24/87/55/244248755.db2.gz IECVDAPQWUKOQO-KRWDZBQOSA-N 0 3 341.459 2.341 40 0 EEABHN CN1CCc2nc([C@@H]3CCN(C(=O)C4CCCCC4)C3)ncc2C1 ZINC000019590592 212048545 /nfs/dbraw/zinc/04/85/45/212048545.db2.gz YAFYZRZQFGCJGO-OAHLLOKOSA-N 0 3 328.460 2.361 40 0 EEABHN CCOc1ccc(C[N@@H+]2CC[C@H](c3cc(=O)[n-]c(C)n3)C2)cc1OC ZINC000019533715 212039381 /nfs/dbraw/zinc/03/93/81/212039381.db2.gz XGEAFSRXJRMSFP-HNNXBMFYSA-N 0 3 343.427 2.475 40 0 EEABHN CCOc1ccc(C[N@H+]2CC[C@H](c3cc(=O)[n-]c(C)n3)C2)cc1OC ZINC000019533715 212039384 /nfs/dbraw/zinc/03/93/84/212039384.db2.gz XGEAFSRXJRMSFP-HNNXBMFYSA-N 0 3 343.427 2.475 40 0 EEABHN CC(C)c1cc(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)on1 ZINC000019452908 212028226 /nfs/dbraw/zinc/02/82/26/212028226.db2.gz OUNWLTYDGSDOGU-OAHLLOKOSA-N 0 3 341.415 2.211 40 0 EEABHN O=C(Nc1cnccc1N1CCCCC1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000079041106 217179746 /nfs/dbraw/zinc/17/97/46/217179746.db2.gz XVJRHNSDOVTFGZ-CYBMUJFWSA-N 0 3 328.416 2.021 40 0 EEABHN C[C@H](N)C(=O)N(C1CC1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079393205 217219430 /nfs/dbraw/zinc/21/94/30/217219430.db2.gz SFOYZCZEUCZQPT-AWEZNQCLSA-N 0 3 345.443 2.126 40 0 EEABHN CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079393262 217219561 /nfs/dbraw/zinc/21/95/61/217219561.db2.gz WBJLNNWKBNASRJ-ZACQAIPSSA-N 0 3 347.459 2.324 40 0 EEABHN CC(C)[C@H](N)C(=O)N1CCC(N(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000079410322 217221671 /nfs/dbraw/zinc/22/16/71/217221671.db2.gz TXTRSSAKCSFOGJ-HNNXBMFYSA-N 0 3 339.480 2.360 40 0 EEABHN O=S(=O)([C@@H]1CCN(Cc2cccc3[nH]ccc32)C1)N1CCCC1 ZINC000092045053 218109513 /nfs/dbraw/zinc/10/95/13/218109513.db2.gz DBVWAIARDCMUOY-OAHLLOKOSA-N 0 3 333.457 2.168 40 0 EEABHN [NH3+][C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000095432059 218374660 /nfs/dbraw/zinc/37/46/60/218374660.db2.gz YWVUQVKSDQTDOK-ZDUSSCGKSA-N 0 3 330.331 2.082 40 0 EEABHN Cc1cc([C@H](C)N[C@H](C)C(=O)N2CCC(C(N)=O)CC2)c(C)s1 ZINC000097373661 219017392 /nfs/dbraw/zinc/01/73/92/219017392.db2.gz ILCYVKIFKYBJRH-NWDGAFQWSA-N 0 3 337.489 2.128 40 0 EEABHN Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)C2(CN)CN)cc1 ZINC000218362298 292280416 /nfs/dbraw/zinc/28/04/16/292280416.db2.gz WDKGXTJYRVGMQN-ROUUACIJSA-N 0 3 344.480 2.147 40 0 EEABHN CCS(=O)(=O)N(C)CCCN[C@H]1CCCOc2cc(F)ccc21 ZINC000181949879 286659136 /nfs/dbraw/zinc/65/91/36/286659136.db2.gz WESXLWDHWSHZDY-HNNXBMFYSA-N 0 3 344.452 2.301 40 0 EEABHN CCN1CCN(CCC(=O)N2C[C@H](C)OC[C@H]2c2ccccc2)CC1 ZINC000074196537 276194496 /nfs/dbraw/zinc/19/44/96/276194496.db2.gz IJECZHVRFBQNEQ-HKUYNNGSSA-N 0 3 345.487 2.003 40 0 EEABHN CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(C3CCC3)CCN21 ZINC000253407927 278324933 /nfs/dbraw/zinc/32/49/33/278324933.db2.gz WWYCMSBDJKZDMD-SFHVURJKSA-N 0 3 327.472 2.460 40 0 biogenic,in-vitro EEABHN COc1ccccc1[C@@H](CN)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000255971924 295382551 /nfs/dbraw/zinc/38/25/51/295382551.db2.gz FLWOQQLEUGTSJR-UKRRQHHQSA-N 0 3 335.448 2.294 40 0 EEABHN C[C@H]1C[C@H](NC(=O)c2cc(O)cc(O)c2)CN1Cc1ccccc1 ZINC000152803428 462584224 /nfs/dbraw/zinc/58/42/24/462584224.db2.gz PIQCNMIKDRFIGQ-BBRMVZONSA-N 0 3 326.396 2.491 40 0 EEABHN CCn1cc(C(=O)Nc2ccc(CCN3CCC(O)CC3)cc2)cn1 ZINC000075415920 462717206 /nfs/dbraw/zinc/71/72/06/462717206.db2.gz QTRQPBQPPANMTK-UHFFFAOYSA-N 0 3 342.443 2.155 40 0 EEABHN COc1ccc(NCc2n[nH]c([C@@H](N)c3cccc(OC)c3)n2)cc1 ZINC000095533545 463107132 /nfs/dbraw/zinc/10/71/32/463107132.db2.gz IITDDIGKFXKCNU-KRWDZBQOSA-N 0 3 339.399 2.482 40 0 EEABHN Cc1noc(C)c1CN1CC[C@H]2OCC[C@@]2(C(=O)NC2CCCC2)C1 ZINC000096038779 463143715 /nfs/dbraw/zinc/14/37/15/463143715.db2.gz RYRMSHIOLNGZMC-IEBWSBKVSA-N 0 3 347.459 2.331 40 0 EEABHN Cn1cc(CN2CCC3(CC2)CN(Cc2ccccc2)CCO3)cn1 ZINC000096048950 463152632 /nfs/dbraw/zinc/15/26/32/463152632.db2.gz GWRBTWUBFOJLRH-UHFFFAOYSA-N 0 3 340.471 2.287 40 0 EEABHN c1ccc(CN2CCOC3(CCN(Cc4ccncc4)CC3)C2)nc1 ZINC000096048963 463153399 /nfs/dbraw/zinc/15/33/99/463153399.db2.gz LCPVNXOQXCEGRF-UHFFFAOYSA-N 0 3 338.455 2.344 40 0 EEABHN Cn1cc([C@H]2CC(=O)N(C)C23CCN(Cc2cccs2)CC3)cn1 ZINC000096061513 463160967 /nfs/dbraw/zinc/16/09/67/463160967.db2.gz LBQLDOADHWFMTQ-MRXNPFEDSA-N 0 3 344.484 2.462 40 0 EEABHN Cc1cc(C(=O)N2CCC[C@@]3(CCCN3Cc3cccnc3)C2)[nH]n1 ZINC000096071479 463166290 /nfs/dbraw/zinc/16/62/90/463166290.db2.gz BRGFLMVQTQADOF-LJQANCHMSA-N 0 3 339.443 2.384 40 0 EEABHN Cc1cc(C(=O)N2CCC[C@@]3(CCCN3Cc3cccnc3)C2)n[nH]1 ZINC000096071479 463166293 /nfs/dbraw/zinc/16/62/93/463166293.db2.gz BRGFLMVQTQADOF-LJQANCHMSA-N 0 3 339.443 2.384 40 0 EEABHN COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)N(C1CCCC1)C2 ZINC000096111937 463180420 /nfs/dbraw/zinc/18/04/20/463180420.db2.gz JFRBPEQXCHQAAJ-RDJZCZTQSA-N 0 3 330.428 2.444 40 0 biogenic,in-vitro EEABHN C[C@H](N)C(=O)N(C)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079393106 463210664 /nfs/dbraw/zinc/21/06/64/463210664.db2.gz RZYHMOHKUHSHAD-IMJJTQAJSA-N 0 3 333.432 2.030 40 0 EEABHN C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1N(C(=O)OC(C)(C)C)C1CC1 ZINC000079409953 463212032 /nfs/dbraw/zinc/21/20/32/463212032.db2.gz RHLFUOVDQAIGMZ-FPMFFAJLSA-N 0 3 325.453 2.161 40 0 EEABHN CCc1nc(-c2noc3ccc(C(=O)NCCN(C)C)cc32)co1 ZINC000096266514 463231741 /nfs/dbraw/zinc/23/17/41/463231741.db2.gz KPUPDGWMBGGHND-UHFFFAOYSA-N 0 3 328.372 2.337 40 0 EEABHN CCN1CCN(c2ccc(C(=O)NCc3cscn3)cc2)CC1 ZINC000096436267 463263353 /nfs/dbraw/zinc/26/33/53/463263353.db2.gz QEEUIFGLTWUSCZ-UHFFFAOYSA-N 0 3 330.457 2.215 40 0 EEABHN CS(=O)(=O)[C@H]1CCCC[C@H]1NCCc1ccc(-n2cccn2)cc1 ZINC000096491560 463286582 /nfs/dbraw/zinc/28/65/82/463286582.db2.gz NYRRCDZRDYDRLU-MSOLQXFVSA-N 0 3 347.484 2.360 40 0 EEABHN Cc1nc(CN2CC[C@]3(CCN(Cc4cccnc4)C3)C2=O)cs1 ZINC000106846575 463541754 /nfs/dbraw/zinc/54/17/54/463541754.db2.gz WVUMOHNVJPOXCO-SFHVURJKSA-N 0 3 342.468 2.471 40 0 EEABHN O=C(NCC1CC1)[C@@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@@H]2O1 ZINC000107714537 463579927 /nfs/dbraw/zinc/57/99/27/463579927.db2.gz QSMTXLXWXAHCPE-FHWLQOOXSA-N 0 3 328.456 2.235 40 0 EEABHN CN(CC(=O)N[C@H]1CCN(Cc2ccccc2)C1)Cc1ccco1 ZINC000044871385 463697082 /nfs/dbraw/zinc/69/70/82/463697082.db2.gz JEZSULIUWCWYRV-KRWDZBQOSA-N 0 3 327.428 2.102 40 0 EEABHN COc1cccc(CNC(=O)CN(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1 ZINC000247913548 464714109 /nfs/dbraw/zinc/71/41/09/464714109.db2.gz VOFVFDBSTNGQAG-KBAYOESNSA-N 0 3 332.444 2.057 40 0 EEABHN CC(C)N1CCN2[C@H](CN(C(=O)NCc3ccccc3)CC2(C)C)C1 ZINC000253395959 465000803 /nfs/dbraw/zinc/00/08/03/465000803.db2.gz CVBISSTWKAVXPD-SFHVURJKSA-N 0 3 344.503 2.385 40 0 biogenic,in-vitro EEABHN Cc1occc1C(=O)N1Cc2ccnn2CC[C@H]1CN1CCCC1 ZINC000585096949 468964786 /nfs/dbraw/zinc/96/47/86/468964786.db2.gz FWYGABQFPOPMKV-HNNXBMFYSA-N 0 3 328.416 2.295 40 0 EEABHN COCC[N@@H+]1CCC[C@@]12CCCN(C(=O)c1ccc([O-])cc1)CC2 ZINC000585100799 468969266 /nfs/dbraw/zinc/96/92/66/468969266.db2.gz WUEXMBHMWQOWAO-LJQANCHMSA-N 0 3 332.444 2.499 40 0 EEABHN COCC[N@H+]1CCC[C@@]12CCCN(C(=O)c1ccc([O-])cc1)CC2 ZINC000585100799 468969270 /nfs/dbraw/zinc/96/92/70/468969270.db2.gz WUEXMBHMWQOWAO-LJQANCHMSA-N 0 3 332.444 2.499 40 0 EEABHN C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(Br)s1 ZINC000022931335 212335563 /nfs/dbraw/zinc/33/55/63/212335563.db2.gz RHEPKIMUQVGUOC-GMTAPVOTSA-N 0 3 331.279 2.150 40 0 EEABHN Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)CO)cc1 ZINC000218400878 241319266 /nfs/dbraw/zinc/31/92/66/241319266.db2.gz RCZVEFRQLJYONB-FHWLQOOXSA-N 0 3 345.464 2.181 40 0 EEABHN Cc1cc(N(C)C)cc([C@H]2CCN(S(=O)(=O)c3cccnc3)C2)n1 ZINC000257248269 244264333 /nfs/dbraw/zinc/26/43/33/244264333.db2.gz JCWXAMZKPGYRTG-AWEZNQCLSA-N 0 3 346.456 2.029 40 0 EEABHN O=C1N[C@@]2(CN(Cc3ccccc3)C[C@H]2CO)CCc2ccccc21 ZINC000019372620 212022513 /nfs/dbraw/zinc/02/25/13/212022513.db2.gz UWGMFJJLZBFKFM-GHTZIAJQSA-N 0 3 336.435 2.226 40 0 EEABHN CC(C)N(C(=O)[C@H](C)N)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079393159 217218725 /nfs/dbraw/zinc/21/87/25/217218725.db2.gz WUZJHOALCLSTJO-DOTOQJQBSA-N 0 3 347.459 2.372 40 0 EEABHN CN(C)c1cnnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000096121045 218612158 /nfs/dbraw/zinc/61/21/58/218612158.db2.gz MCBOIFXYBTYBNO-UHFFFAOYSA-N 0 3 345.834 2.158 40 0 EEABHN CO[C@H]1CCN(Cc2cc(C)on2)[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096109498 218604478 /nfs/dbraw/zinc/60/44/78/218604478.db2.gz JIIADUSYKOOZPV-KSZLIROESA-N 0 3 331.416 2.297 40 0 EEABHN CC(C)[C@H](N)C(=O)N(C1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391490 280271808 /nfs/dbraw/zinc/27/18/08/280271808.db2.gz HMZAZXPRNQMFLV-GJZGRUSLSA-N 0 3 339.480 2.360 40 0 EEABHN CN(C)S(=O)(=O)N1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C ZINC000257279550 289254182 /nfs/dbraw/zinc/25/41/82/289254182.db2.gz OHETXLYCTWMWQY-YESZJQIVSA-N 0 3 337.489 2.093 40 0 EEABHN C[C@H]1CN(CCCCNC(=O)[C@@H]2COc3ccccc32)C[C@H](C)O1 ZINC000085457396 462549132 /nfs/dbraw/zinc/54/91/32/462549132.db2.gz DZILEJXSXNEGTM-YQQAZPJKSA-N 0 3 332.444 2.168 40 0 EEABHN C[C@H]1CN(C)CCN1CC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000085468167 462549458 /nfs/dbraw/zinc/54/94/58/462549458.db2.gz SBYKLSMPIMATPF-SFHVURJKSA-N 0 3 343.515 2.494 40 0 EEABHN Cc1ccc([C@@]2(O)CCC[C@@H]3CN(Cc4cnc(N)nc4)C[C@@H]32)cc1 ZINC000012186308 462847398 /nfs/dbraw/zinc/84/73/98/462847398.db2.gz COVSVXKTEGLWQD-KPFFTGBYSA-N 0 3 338.455 2.487 40 0 EEABHN CC(C)(NC(=O)C[C@H]1CNCCO1)c1ccc(Br)cc1 ZINC000091299687 462870135 /nfs/dbraw/zinc/87/01/35/462870135.db2.gz ISYRUNXIJIAYQY-ZDUSSCGKSA-N 0 3 341.249 2.179 40 0 EEABHN COc1ccc(OCc2n[nH]c([C@H](N)c3ccc(OC)cc3)n2)cc1 ZINC000095533691 463106765 /nfs/dbraw/zinc/10/67/65/463106765.db2.gz QPWKSYZGAIJUSA-QGZVFWFLSA-N 0 3 340.383 2.449 40 0 EEABHN O=C(N[C@@H]1CCC12CCN(Cc1ccncc1)CC2)c1cnccn1 ZINC000096051503 463154393 /nfs/dbraw/zinc/15/43/93/463154393.db2.gz LAONBUZTCKODHV-QGZVFWFLSA-N 0 3 337.427 2.046 40 0 EEABHN CCN(C(=O)CNC(=O)OC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000096134046 463183814 /nfs/dbraw/zinc/18/38/14/463183814.db2.gz GVHCMKYDIKPNTF-GOEBONIOSA-N 0 3 333.432 2.026 40 0 EEABHN COC(=O)[C@H]1C[C@H]1C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000096407274 463240718 /nfs/dbraw/zinc/24/07/18/463240718.db2.gz MUIFLAYNANSDPA-XKQJLSEDSA-N 0 3 330.428 2.137 40 0 EEABHN CN(C)CCOc1ccc(NC(=O)c2ccc(=O)n(C)c2)cc1Cl ZINC000096408503 463241956 /nfs/dbraw/zinc/24/19/56/463241956.db2.gz DJKCFPCMMUBBTP-UHFFFAOYSA-N 0 3 349.818 2.231 40 0 EEABHN O=C(CNC(=O)c1ccccn1)Nc1ccccc1CN1CCCC1 ZINC000096416894 463249508 /nfs/dbraw/zinc/24/95/08/463249508.db2.gz LEVGJRUKJGEBNZ-UHFFFAOYSA-N 0 3 338.411 2.046 40 0 EEABHN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCCc1ccc(-n2cccn2)cc1 ZINC000096491557 463286356 /nfs/dbraw/zinc/28/63/56/463286356.db2.gz NYRRCDZRDYDRLU-ZWKOTPCHSA-N 0 3 347.484 2.360 40 0 EEABHN Cc1cccc(CN2CC[C@]3(CCC[C@H]3C(=O)N3CCOCC3)C2)n1 ZINC000108530053 463610042 /nfs/dbraw/zinc/61/00/42/463610042.db2.gz ORDOJSWLOSDEPK-AZUAARDMSA-N 0 3 343.471 2.241 40 0 EEABHN CN1CC[C@H](c2nc(CNC(=O)c3cnc4ccccc4c3)c[nH]2)C1 ZINC000257294808 463765878 /nfs/dbraw/zinc/76/58/78/463765878.db2.gz QVVJNAMYQXHPJN-AWEZNQCLSA-N 0 3 335.411 2.307 40 0 EEABHN Cc1cccnc1CN1CC[C@H](O)[C@@H](Oc2cccnc2C)CC1 ZINC000257327508 463779927 /nfs/dbraw/zinc/77/99/27/463779927.db2.gz XBPPZAVUGCOZHI-HKUYNNGSSA-N 0 3 327.428 2.498 40 0 EEABHN OC[C@]1(NC2CC(c3ccc(Br)cc3)C2)CCOC1 ZINC000194173030 463807536 /nfs/dbraw/zinc/80/75/36/463807536.db2.gz PITOWPHODCVTEH-PESDSKBTSA-N 0 3 326.234 2.436 40 0 EEABHN CC[C@@H](N[C@H]1CCCc2c(OC)cccc21)C(=O)N1CCOCC1 ZINC000194910304 463956674 /nfs/dbraw/zinc/95/66/74/463956674.db2.gz YNVVICJVJRXOQX-SJORKVTESA-N 0 3 332.444 2.300 40 0 EEABHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000195209511 464017524 /nfs/dbraw/zinc/01/75/24/464017524.db2.gz IKXJXECGBMLPKQ-JCGIZDLHSA-N 0 3 348.466 2.007 40 0 EEABHN CN(C(=O)c1ccc(Cl)cn1)C1CCN(CCn2cccn2)CC1 ZINC000240757040 464448172 /nfs/dbraw/zinc/44/81/72/464448172.db2.gz HVYLMCCYONKGNQ-UHFFFAOYSA-N 0 3 347.850 2.168 40 0 EEABHN Cc1ncc(CNC[C@H](C)N2CCOC[C@H]2C)n1-c1ccccc1 ZINC000247976942 464719502 /nfs/dbraw/zinc/71/95/02/464719502.db2.gz VNJSLQRABNJJMJ-JKSUJKDBSA-N 0 3 328.460 2.380 40 0 EEABHN CC[N@H+](C)C[C@@H]1CC2(CO1)CCN(C(=O)c1ccc([O-])cc1)CC2 ZINC000585104622 468972660 /nfs/dbraw/zinc/97/26/60/468972660.db2.gz SBFVJVBFVHAATM-KRWDZBQOSA-N 0 3 332.444 2.355 40 0 EEABHN CC[N@@H+](C)C[C@@H]1CC2(CO1)CCN(C(=O)c1ccc([O-])cc1)CC2 ZINC000585104622 468972665 /nfs/dbraw/zinc/97/26/65/468972665.db2.gz SBFVJVBFVHAATM-KRWDZBQOSA-N 0 3 332.444 2.355 40 0 EEABHN Cc1c(CN[C@H]2CCC[C@@H](Oc3cccc(C)c3)[C@@H]2O)cnn1C ZINC000585288529 469010097 /nfs/dbraw/zinc/01/00/97/469010097.db2.gz CZGMTZYRKBZQRG-IPMKNSEASA-N 0 3 329.444 2.488 40 0 EEABHN O[C@H]1CCN(C2CCCC2)C[C@]1(O)COc1cccc(F)c1F ZINC000585287521 469010299 /nfs/dbraw/zinc/01/02/99/469010299.db2.gz NVDZTBKGQOJQIH-RDJZCZTQSA-N 0 3 327.371 2.084 40 0 EEABHN COc1ccc(OC)c(CN2C[C@H](c3ccccc3)[C@@H](O)[C@H]2CO)c1 ZINC000585292777 469011964 /nfs/dbraw/zinc/01/19/64/469011964.db2.gz NYTVIJQXGKJDIP-QWFCFKBJSA-N 0 3 343.423 2.025 40 0 EEABHN O=C(NC1C[C@H]2CC[C@@H](C1)N2Cc1ccc2c(c1)OCO2)C1CC1 ZINC000027698403 1351657741 /nfs/dbraw/zinc/65/77/41/1351657741.db2.gz AIQWUNMUDIHMOZ-MQVJKMGUSA-N 0 3 328.412 2.437 40 0 EEABHN CN(C)[C@H](CNC(=O)c1ccc(-n2cccn2)nc1)c1ccccc1 ZINC000040050439 213255175 /nfs/dbraw/zinc/25/51/75/213255175.db2.gz WIYKDWQSIDZVPW-QGZVFWFLSA-N 0 3 335.411 2.300 40 0 EEABHN COCc1nc2ccccc2n1CC(=O)N(C)CCN1CCCCC1 ZINC000036753037 213117050 /nfs/dbraw/zinc/11/70/50/213117050.db2.gz LQYRZLKYEYOGFH-UHFFFAOYSA-N 0 3 344.459 2.127 40 0 EEABHN O=C(CNCCN1CCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000022587036 212308821 /nfs/dbraw/zinc/30/88/21/212308821.db2.gz GGMMKCXDLLGNOB-UHFFFAOYSA-N 0 3 331.338 2.209 40 0 EEABHN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCCN2CCN(C)CC2)c1 ZINC000020482427 212136896 /nfs/dbraw/zinc/13/68/96/212136896.db2.gz IFWOVHJIFZNFFS-SFHVURJKSA-N 0 3 347.503 2.133 40 0 EEABHN Cc1ccccc1CC(=O)NCc1nccnc1C1CCN(C)CC1 ZINC000257204390 244129298 /nfs/dbraw/zinc/12/92/98/244129298.db2.gz AUJDZAUDVIDRNI-UHFFFAOYSA-N 0 3 338.455 2.453 40 0 EEABHN COc1cc(CN2CCC[C@H](c3nc(C)cc(=O)[nH]3)C2)cc(OC)c1 ZINC000019117930 212000747 /nfs/dbraw/zinc/00/07/47/212000747.db2.gz MGQZZVMBMGDAQQ-HNNXBMFYSA-N 0 3 343.427 2.475 40 0 EEABHN COc1cc(CNCc2ccc(-n3cncn3)cc2)cc2c1OCO2 ZINC000078552855 217074000 /nfs/dbraw/zinc/07/40/00/217074000.db2.gz NDYOHQLXDQWOHT-UHFFFAOYSA-N 0 3 338.367 2.294 40 0 EEABHN CC(C)[C@H](N)C(=O)N(C)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079393277 217218741 /nfs/dbraw/zinc/21/87/41/217218741.db2.gz SRXSWOGOAWETGZ-IRXDYDNUSA-N 0 3 347.459 2.229 40 0 EEABHN CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)N ZINC000079409850 217221995 /nfs/dbraw/zinc/22/19/95/217221995.db2.gz SQQMVVUDDZYMOM-MELADBBJSA-N 0 3 327.469 2.407 40 0 EEABHN COc1ccc(CN2CCC(C(=O)N[C@H]3CCCOC3)CC2)cc1 ZINC000012194410 211315386 /nfs/dbraw/zinc/31/53/86/211315386.db2.gz XIXVYZUTODRMBI-KRWDZBQOSA-N 0 3 332.444 2.202 40 0 EEABHN CNC(=O)[C@@H]1CCCN(Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000093360890 218218095 /nfs/dbraw/zinc/21/80/95/218218095.db2.gz QOEADIJYROKDJG-GFCCVEGCSA-N 0 3 328.359 2.255 40 0 EEABHN Cc1ccc2c(n1)N(CCN(C)C)CCN(C(=O)c1ccco1)C2 ZINC000096069217 281137122 /nfs/dbraw/zinc/13/71/22/281137122.db2.gz IEXRHUGIXYUWSA-UHFFFAOYSA-N 0 3 328.416 2.007 40 0 EEABHN COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CO)n(C)n2)cc1 ZINC000008635296 462790702 /nfs/dbraw/zinc/79/07/02/462790702.db2.gz QQWKVDQJNCBTCZ-UXLLHSPISA-N 0 3 327.428 2.266 40 0 biogenic,in-vitro EEABHN Cc1noc(C)c1S(=O)(=O)N1CC[C@@]2(C)[C@@H]1CCCCCN2C ZINC000019713326 463021154 /nfs/dbraw/zinc/02/11/54/463021154.db2.gz LDVPHEIOYDQMMZ-HOCLYGCPSA-N 0 3 341.477 2.319 40 0 EEABHN O=C([C@@H]1CCO[C@@H]2CCN(Cc3ccccc3F)C[C@H]21)N1CCCO1 ZINC000096043393 463147891 /nfs/dbraw/zinc/14/78/91/463147891.db2.gz DANHUAXZCRDHBR-SOLBZPMBSA-N 0 3 348.418 2.217 40 0 EEABHN O=C1N(Cc2ccncc2)CC[C@@]12CCCN(Cc1ccccn1)C2 ZINC000096048665 463152216 /nfs/dbraw/zinc/15/22/16/463152216.db2.gz PJCVQLJZOZRKRM-HXUWFJFHSA-N 0 3 336.439 2.491 40 0 EEABHN c1cc(CN2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)co1 ZINC000096055175 463155747 /nfs/dbraw/zinc/15/57/47/463155747.db2.gz VGURXXCSLHWVNS-RTBURBONSA-N 0 3 327.428 2.398 40 0 EEABHN c1ccc(CO[C@H]2CC[C@H]3[C@H]2OCCN3CCN2CCCCC2)nc1 ZINC000096065895 463164847 /nfs/dbraw/zinc/16/48/47/463164847.db2.gz TVDHPAXDOPSCDT-SLFFLAALSA-N 0 3 345.487 2.316 40 0 EEABHN COc1cccc(CN2CCC3(CCN(C(=O)CN(C)C)C3)CC2)c1 ZINC000096157612 463188512 /nfs/dbraw/zinc/18/85/12/463188512.db2.gz PITWAULIALXGLR-UHFFFAOYSA-N 0 3 345.487 2.071 40 0 EEABHN Cc1ccc(CN2CCC3(CC2)NC(=O)C[C@H]3c2cnn(C)c2)s1 ZINC000096199767 463205584 /nfs/dbraw/zinc/20/55/84/463205584.db2.gz LUBWNVLGQCDPGU-INIZCTEOSA-N 0 3 344.484 2.428 40 0 EEABHN Fc1cnc(N[C@@H]2CO[C@]3(CCN(Cc4ccccc4)C3)C2)nc1 ZINC000096219606 463216857 /nfs/dbraw/zinc/21/68/57/463216857.db2.gz ICMVJZKGICGCLS-FUHWJXTLSA-N 0 3 328.391 2.461 40 0 EEABHN CCOc1ccccc1OCCN1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000096443354 463268669 /nfs/dbraw/zinc/26/86/69/463268669.db2.gz LPROCNOTXGUYLM-GOSISDBHSA-N 0 3 347.503 2.176 40 0 EEABHN CC(=O)N1CCN(C(=O)CCNc2ccnc3c(C)cccc23)CC1 ZINC000096476786 463280094 /nfs/dbraw/zinc/28/00/94/463280094.db2.gz NVEVWCZMSDXPMA-UHFFFAOYSA-N 0 3 340.427 2.036 40 0 EEABHN CC(C)N(C)S(=O)(=O)c1ccc(CN[C@@H]2CCSC2)cc1 ZINC000096476689 463280358 /nfs/dbraw/zinc/28/03/58/463280358.db2.gz FZNVIPZUWPMNBB-CQSZACIVSA-N 0 3 328.503 2.311 40 0 EEABHN C[C@@H](Cn1cc(Br)cn1)NC[C@](C)(O)c1ccco1 ZINC000096478478 463280882 /nfs/dbraw/zinc/28/08/82/463280882.db2.gz PKDHKITXUOAPAG-GWCFXTLKSA-N 0 3 328.210 2.124 40 0 EEABHN CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CCC[C@@H](C2CC2)C1 ZINC000096499790 463290585 /nfs/dbraw/zinc/29/05/85/463290585.db2.gz YYZLYUARFCOPRF-MSOLQXFVSA-N 0 3 336.524 2.234 40 0 EEABHN CCN1CCCN(C(=O)c2cc(=O)[nH]c3c(F)cc(C)cc23)CC1 ZINC000096497068 463290603 /nfs/dbraw/zinc/29/06/03/463290603.db2.gz QPAVGPWEBLIZPE-UHFFFAOYSA-N 0 3 331.391 2.143 40 0 EEABHN O=C(NCCCn1ccnc1)C1CCN(Cc2ccccc2)CC1 ZINC000042645615 463582916 /nfs/dbraw/zinc/58/29/16/463582916.db2.gz YKBVOYAIUDYLCS-UHFFFAOYSA-N 0 3 326.444 2.302 40 0 EEABHN CN(C)Cc1cccc(-c2cccnc2C(=O)N2CCN(C)CC2)c1 ZINC000257320390 463776768 /nfs/dbraw/zinc/77/67/68/463776768.db2.gz VWPHSXPDZBIHLU-UHFFFAOYSA-N 0 3 338.455 2.198 40 0 EEABHN CC(=O)N1CC2(CCN(Cc3ccncc3C)CC2)C[C@@H](O)C1(C)C ZINC000257331235 463781376 /nfs/dbraw/zinc/78/13/76/463781376.db2.gz XRXWQVBANWTLAM-GOSISDBHSA-N 0 3 345.487 2.364 40 0 EEABHN CN(C)c1cnnc(N2CCN(C(=O)Nc3ccccc3F)CC2)c1 ZINC000224312459 464151444 /nfs/dbraw/zinc/15/14/44/464151444.db2.gz YYVBOIBNCPHSLO-UHFFFAOYSA-N 0 3 344.394 2.036 40 0 EEABHN CC(C)(C)CN1CCC[C@@H](N2CCC[C@H](Cn3ccnn3)C2)C1=O ZINC000329756424 465425364 /nfs/dbraw/zinc/42/53/64/465425364.db2.gz YPZRRYRZEVYVDA-JKSUJKDBSA-N 0 3 333.480 2.027 40 0 EEABHN Cc1ccc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCCC2)cn1 ZINC000585098329 468967074 /nfs/dbraw/zinc/96/70/74/468967074.db2.gz WLPKBAJZJYCVRV-KRWDZBQOSA-N 0 3 339.443 2.097 40 0 EEABHN C[C@H]1Cc2nnc(COc3ncccc3F)n2CCN1CC1CCC1 ZINC000585098221 468967154 /nfs/dbraw/zinc/96/71/54/468967154.db2.gz SFQYPDXCAMNKBW-ZDUSSCGKSA-N 0 3 345.422 2.438 40 0 EEABHN CO[C@]1(COc2ccccc2)CCCN(C(=O)/C=C/CN(C)C)C1 ZINC000585290076 469011404 /nfs/dbraw/zinc/01/14/04/469011404.db2.gz RMVFWUUPLOGDKG-BQHJZSHBSA-N 0 3 332.444 2.191 40 0 EEABHN CCc1ccc(CN2CC[C@H]3OCC[C@@]3(C(=O)NC3CCC3)C2)o1 ZINC000097953350 219063476 /nfs/dbraw/zinc/06/34/76/219063476.db2.gz AWWRPWCKROOFHI-IEBWSBKVSA-N 0 3 332.444 2.492 40 0 EEABHN COCCN1CCC(CNC(=O)c2nc3ccccc3s2)CC1 ZINC000038582886 213215774 /nfs/dbraw/zinc/21/57/74/213215774.db2.gz ZLLFJAGASMVYQR-UHFFFAOYSA-N 0 3 333.457 2.385 40 0 EEABHN NCC(=O)N1CCC[C@H](c2cncc(Oc3ccccc3F)n2)C1 ZINC000072363201 216169902 /nfs/dbraw/zinc/16/99/02/216169902.db2.gz NNOVEQANPVNEMO-LBPRGKRZSA-N 0 3 330.363 2.073 40 0 EEABHN Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN(CCO)C3)n2)n1 ZINC000072383041 216183920 /nfs/dbraw/zinc/18/39/20/216183920.db2.gz RUESGRAHVNFNNQ-OAHLLOKOSA-N 0 3 327.432 2.404 40 0 EEABHN COCCNc1ccc(C[C@@H]2CCCN(Cc3cccnc3)C2)nn1 ZINC000072387315 216187176 /nfs/dbraw/zinc/18/71/76/216187176.db2.gz JGGKETSGEMYHGR-INIZCTEOSA-N 0 3 341.459 2.385 40 0 EEABHN Cc1csc(C(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)c1 ZINC000257205795 244132129 /nfs/dbraw/zinc/13/21/29/244132129.db2.gz BAOQFKFKUOJWRH-HNNXBMFYSA-N 0 3 344.427 2.365 40 0 EEABHN Cc1csc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)c1 ZINC000257205796 244133765 /nfs/dbraw/zinc/13/37/65/244133765.db2.gz BAOQFKFKUOJWRH-OAHLLOKOSA-N 0 3 344.427 2.365 40 0 EEABHN COc1ccc([C@@H]2CN(CC3CCOCC3)CCN2C(C)=O)cc1 ZINC000257208969 244143134 /nfs/dbraw/zinc/14/31/34/244143134.db2.gz BOIDHQRBGGUSQR-IBGZPJMESA-N 0 3 332.444 2.327 40 0 EEABHN CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCN(Cc2ccccc2)C1 ZINC000257209067 244143187 /nfs/dbraw/zinc/14/31/87/244143187.db2.gz BOVGCAGZGNSVSM-MRXNPFEDSA-N 0 3 349.438 2.421 40 0 EEABHN CC(C)N(C[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)OCc1ccccc1 ZINC000079412946 217222036 /nfs/dbraw/zinc/22/20/36/217222036.db2.gz XLXWKBVYQAUXDR-RDJZCZTQSA-N 0 3 347.459 2.372 40 0 EEABHN CCN(C(=O)OCc1ccccc1)C1CCC(NC(=O)[C@H](C)N)CC1 ZINC000079412923 217222349 /nfs/dbraw/zinc/22/23/49/217222349.db2.gz MJEYWCXHLFXGRJ-OOHWJJMZSA-N 0 3 347.459 2.420 40 0 EEABHN O[C@@H]1[C@@H](Sc2ccccc2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1ccccc1 ZINC000012483301 211391470 /nfs/dbraw/zinc/39/14/70/211391470.db2.gz PZKNEARJFSZCKB-UJWQCDCRSA-N 0 3 343.448 2.422 40 0 biogenic,in-vitro EEABHN COc1cccc([C@@H]2C[NH2+]C[C@H]2c2cc(=O)[n-]c(NC(C)C)n2)c1 ZINC000012163761 211310874 /nfs/dbraw/zinc/31/08/74/211310874.db2.gz MAHIYEDZYODNIZ-LSDHHAIUSA-N 0 3 328.416 2.482 40 0 EEABHN Cc1ccc([C@H](C)NCCC(=O)N2CCN(c3ccccn3)CC2)o1 ZINC000095421410 218363259 /nfs/dbraw/zinc/36/32/59/218363259.db2.gz YCIXQDFCTNTDFT-INIZCTEOSA-N 0 3 342.443 2.373 40 0 EEABHN CNC(=O)NC(=O)CN[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000097373954 277003886 /nfs/dbraw/zinc/00/38/86/277003886.db2.gz LRQKCANNNKOXDS-NXEZZACHSA-N 0 3 331.338 2.243 40 0 EEABHN CNC(=O)NC(=O)CN[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000097373956 277003973 /nfs/dbraw/zinc/00/39/73/277003973.db2.gz LRQKCANNNKOXDS-ZJUUUORDSA-N 0 3 331.338 2.243 40 0 EEABHN CN(C)CCn1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)n1 ZINC000193860149 323491499 /nfs/dbraw/zinc/49/14/99/323491499.db2.gz CXZLEJWYCMSJGF-LSDHHAIUSA-N 0 3 331.395 2.261 40 0 EEABHN CCCCSC[C@@H](O)CN1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002090253 462588489 /nfs/dbraw/zinc/58/84/89/462588489.db2.gz VVCPVDOFZBZVID-PMPSAXMXSA-N 0 3 336.501 2.162 40 0 EEABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccsc3)C[C@H]21)N1CCCC1 ZINC000096040836 463145092 /nfs/dbraw/zinc/14/50/92/463145092.db2.gz HPDCOEPMECEVPX-ZACQAIPSSA-N 0 3 334.485 2.455 40 0 EEABHN Cc1ccc(C(=O)N2CCO[C@H]3[C@H](OCCN(C)C)CC[C@@H]32)s1 ZINC000096041504 463146253 /nfs/dbraw/zinc/14/62/53/463146253.db2.gz UFBXNZPAJDSPGG-SQWLQELKSA-N 0 3 338.473 2.007 40 0 EEABHN O=C1N(Cc2cccnc2)CC[C@@]12CCCN(Cc1ccccn1)C2 ZINC000096048629 463152206 /nfs/dbraw/zinc/15/22/06/463152206.db2.gz SXAIWRUBAPFYOV-HXUWFJFHSA-N 0 3 336.439 2.491 40 0 EEABHN c1coc(CN2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC000096055160 463157104 /nfs/dbraw/zinc/15/71/04/463157104.db2.gz WDMXKZXBEUZALZ-IEBWSBKVSA-N 0 3 327.428 2.398 40 0 EEABHN O=C1NC(c2ccccc2)=N[C@@]12CC[C@@H]1CN(Cc3ccco3)C[C@@H]12 ZINC000096061744 463161314 /nfs/dbraw/zinc/16/13/14/463161314.db2.gz LCIISPTUKVGVTQ-OXFYSEKESA-N 0 3 335.407 2.437 40 0 EEABHN CCOC[C@@H]1CN(CCN2CCCC2)Cc2cnn(CC3CC3)c21 ZINC000096068336 463165867 /nfs/dbraw/zinc/16/58/67/463165867.db2.gz CFWXTZTXBRQTTQ-SFHVURJKSA-N 0 3 332.492 2.325 40 0 EEABHN O=C(NC[C@]12COC[C@H]1CN(Cc1ccsc1)C2)c1cccnc1 ZINC000096108507 463177727 /nfs/dbraw/zinc/17/77/27/463177727.db2.gz DRVFTEPJEXINOT-AEFFLSMTSA-N 0 3 343.452 2.022 40 0 EEABHN CC(C)[C@H](C(=O)N1CCC(O[C@@H]2CCOC2)CC1)N1CCCCC1 ZINC000096450870 463272740 /nfs/dbraw/zinc/27/27/40/463272740.db2.gz RXISYEQTSWTVMN-QZTJIDSGSA-N 0 3 338.492 2.293 40 0 EEABHN Cc1nc(CCC(=O)N(C)C)cc([C@@H]2CCCN2C2CCOCC2)n1 ZINC000072367045 463509402 /nfs/dbraw/zinc/50/94/02/463509402.db2.gz BVXVMWXZPRFWSW-SFHVURJKSA-N 0 3 346.475 2.122 40 0 EEABHN Cc1ccc2cccc(S(=O)(=O)N(C)C[C@H]3CCN(C)C3)c2n1 ZINC000084937785 463638336 /nfs/dbraw/zinc/63/83/36/463638336.db2.gz WFFODSIMCZNGQW-AWEZNQCLSA-N 0 3 333.457 2.115 40 0 EEABHN CNc1cc(C)nc([C@H]2CCN(C(=O)CCn3ccc(C)n3)C2)c1 ZINC000257311333 463773941 /nfs/dbraw/zinc/77/39/41/463773941.db2.gz UIZDTSXACNHECM-HNNXBMFYSA-N 0 3 327.432 2.343 40 0 EEABHN CNc1ncccc1CN1CCC[C@@H](Cc2nccnc2NC)C1 ZINC000257339752 463785844 /nfs/dbraw/zinc/78/58/44/463785844.db2.gz ZDAQQZLPDIVIGN-AWEZNQCLSA-N 0 3 326.448 2.410 40 0 EEABHN COc1ccc2c(c1)OCCC[C@@H]2NC[C@](C)(O)c1cnn(C)c1 ZINC000195561646 464077112 /nfs/dbraw/zinc/07/71/12/464077112.db2.gz MQBPWSGMFQBLNQ-WMZOPIPTSA-N 0 3 331.416 2.140 40 0 EEABHN O[C@@]1(CNCc2ccc(OCCF)cc2)CCN(c2ccccn2)C1 ZINC000585271206 468997466 /nfs/dbraw/zinc/99/74/66/468997466.db2.gz UADVQTPWLGBZKR-LJQANCHMSA-N 0 3 345.418 2.161 40 0 EEABHN COc1ccccc1CN1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000093142931 534078666 /nfs/dbraw/zinc/07/86/66/534078666.db2.gz IUWZKYWJYUSRHO-UHFFFAOYSA-N 0 3 345.487 2.071 40 0 EEABHN Cc1ccsc1CN1C[C@@H](C(=O)N2CCCO2)C[C@H]2OCC[C@H]21 ZINC000097953668 219064896 /nfs/dbraw/zinc/06/48/96/219064896.db2.gz XMMCVUYPDKHIDX-RRFJBIMHSA-N 0 3 336.457 2.200 40 0 EEABHN Cc1ccc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)cc1 ZINC000257276223 244395165 /nfs/dbraw/zinc/39/51/65/244395165.db2.gz NSWDFFKJCSCVDJ-QGZVFWFLSA-N 0 3 338.398 2.303 40 0 EEABHN COCCCN1CCC(NC(=O)c2sc(C)cc2OC)CC1 ZINC000079103237 217194190 /nfs/dbraw/zinc/19/41/90/217194190.db2.gz TXIPAVDXIUOPHQ-UHFFFAOYSA-N 0 3 326.462 2.296 40 0 EEABHN CCN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[C@@H](N)C(C)C ZINC000079391443 217219354 /nfs/dbraw/zinc/21/93/54/217219354.db2.gz UHIVOVPQZXQUMK-CABCVRRESA-N 0 3 341.496 2.465 40 0 EEABHN CC(C)[C@H](N)C(=O)NC1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000079410119 217221722 /nfs/dbraw/zinc/22/17/22/217221722.db2.gz OHSIXMJTPZUKHQ-RUXDESIVSA-N 0 3 327.469 2.264 40 0 EEABHN CC(C)[C@H](N)C(=O)N(Cc1ccnc(Br)c1)C1CC1 ZINC000079430904 217223875 /nfs/dbraw/zinc/22/38/75/217223875.db2.gz QLWRFDNSBRGSSK-ZDUSSCGKSA-N 0 3 326.238 2.318 40 0 EEABHN Cc1ccc([C@]2(O)CCC[C@@H]3CN(Cc4cnc(N)nc4)C[C@@H]32)cc1 ZINC000012186311 211313922 /nfs/dbraw/zinc/31/39/22/211313922.db2.gz COVSVXKTEGLWQD-IMFGXOCKSA-N 0 3 338.455 2.487 40 0 EEABHN Cc1ccn2c(CN3CCC[C@H](CN4CCOCC4)C3)cnc2c1 ZINC000093017452 218186208 /nfs/dbraw/zinc/18/62/08/218186208.db2.gz LISHYQYBPLNHCY-QGZVFWFLSA-N 0 3 328.460 2.187 40 0 EEABHN CN(Cc1ccco1)C[C@@H]1CCC2(CN(C(=O)c3cocn3)C2)OC1 ZINC000306125320 257918039 /nfs/dbraw/zinc/91/80/39/257918039.db2.gz CMNIXRGHOLUCQC-AWEZNQCLSA-N 0 3 345.399 2.021 40 0 EEABHN COC[C@H](C)NCc1ccc(Br)cc1N1CCOCC1 ZINC000090546468 132822390 /nfs/dbraw/zinc/82/23/90/132822390.db2.gz JDWRKRMEQDHXJY-LBPRGKRZSA-N 0 3 343.265 2.410 40 0 EEABHN CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)C2(CN)CN)cc1 ZINC000218409062 273770635 /nfs/dbraw/zinc/77/06/35/273770635.db2.gz CLHGLAFITPAZDJ-MSOLQXFVSA-N 0 3 344.480 2.093 40 0 EEABHN CN(C)CCN1C(=O)CC[C@@]12CCCN(C(=O)c1ccsc1)CC2 ZINC000096217738 276788539 /nfs/dbraw/zinc/78/85/39/276788539.db2.gz FHUZTKUWOJZCJK-GOSISDBHSA-N 0 3 349.500 2.297 40 0 EEABHN CC[C@H](CNC(=O)N1CC[C@@H]([C@@H](C)O)C1)N1CCc2ccccc2C1 ZINC000097372697 323322571 /nfs/dbraw/zinc/32/25/71/323322571.db2.gz QBKGBYZNRZJGDB-SZVBFZGTSA-N 0 3 345.487 2.236 40 0 EEABHN CC(=O)NC(C)(C)c1noc(-c2ccccc2OCCN(C)C)n1 ZINC000252489243 464965210 /nfs/dbraw/zinc/96/52/10/464965210.db2.gz JMHQDXFOWUZXNC-UHFFFAOYSA-N 0 3 332.404 2.048 40 0 EEABHN C[C@@H]1C[C@H](NC(=O)c2cc(O)cc(O)c2)CN1Cc1ccccc1 ZINC000152803327 462584031 /nfs/dbraw/zinc/58/40/31/462584031.db2.gz PIQCNMIKDRFIGQ-CJNGLKHVSA-N 0 3 326.396 2.491 40 0 EEABHN COCCNCc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 ZINC000007540728 462739796 /nfs/dbraw/zinc/73/97/96/462739796.db2.gz IWXRDYIFMIAVNS-UHFFFAOYSA-N 0 3 347.367 2.256 40 0 EEABHN CC[C@@H](NC(=O)C[C@H]1CNCCO1)c1ccc(Br)cc1 ZINC000091299951 462871832 /nfs/dbraw/zinc/87/18/32/462871832.db2.gz AGOIARMIRMDQNI-UONOGXRCSA-N 0 3 341.249 2.395 40 0 EEABHN c1csc(CN2CCOC3(CCN(Cc4cccnc4)CC3)C2)n1 ZINC000096038475 463142852 /nfs/dbraw/zinc/14/28/52/463142852.db2.gz SNLVQSTVFGWBKJ-UHFFFAOYSA-N 0 3 344.484 2.405 40 0 EEABHN O=C([C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@@H]2O1)N1CCCC1 ZINC000096043188 463147395 /nfs/dbraw/zinc/14/73/95/463147395.db2.gz QPQUSAHSKCRAJN-OTWHNJEPSA-N 0 3 328.456 2.331 40 0 EEABHN O=C([C@@H]1CCO[C@@H]2CCN(Cc3ccsc3)C[C@H]21)N1CCCO1 ZINC000096043384 463147993 /nfs/dbraw/zinc/14/79/93/463147993.db2.gz RAGYRVFMKDWYSU-OWCLPIDISA-N 0 3 336.457 2.139 40 0 EEABHN C(O[C@@H]1CC[C@H]2[C@H]1OCCN2CC1CCOCC1)C1CCOCC1 ZINC000096057950 463160501 /nfs/dbraw/zinc/16/05/01/463160501.db2.gz MYICMCIGSITPNW-IPMKNSEASA-N 0 3 339.476 2.088 40 0 EEABHN COc1ccc(CN2C[C@@H]3CN(Cc4cccnc4)C[C@@H]3C2=O)cc1 ZINC000096080750 463169338 /nfs/dbraw/zinc/16/93/38/463169338.db2.gz PEWXJINQSFXLII-HKUYNNGSSA-N 0 3 337.423 2.181 40 0 EEABHN O=C1[C@@H]2CCN(CC3CCOCC3)C[C@@H]2OCCN1c1ccccc1 ZINC000096107126 463175924 /nfs/dbraw/zinc/17/59/24/463175924.db2.gz LIFVGWJFIOBAPI-MOPGFXCFSA-N 0 3 344.455 2.167 40 0 EEABHN O=C(COC[C@@]12CCC[C@@H]1CN(Cc1ccncc1)C2)N1CCCC1 ZINC000096209057 463212151 /nfs/dbraw/zinc/21/21/51/463212151.db2.gz UOCVLGGJGYWILQ-QUCCMNQESA-N 0 3 343.471 2.323 40 0 EEABHN O=C1[C@@H](N2CCC[C@H](C3OCCO3)C2)CCCN1c1ccccc1 ZINC000096406586 463240088 /nfs/dbraw/zinc/24/00/88/463240088.db2.gz KRETVSIODLSGEB-RDJZCZTQSA-N 0 3 330.428 2.267 40 0 EEABHN COCCN1CC[C@H](NC(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000096413260 463246262 /nfs/dbraw/zinc/24/62/62/463246262.db2.gz JQUPKMHMWFQWSW-WFASDCNBSA-N 0 3 325.840 2.421 40 0 EEABHN COC(=O)CCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000096413969 463246345 /nfs/dbraw/zinc/24/63/45/463246345.db2.gz MTYDOTYAEIOEEL-WBVHZDCISA-N 0 3 332.444 2.451 40 0 EEABHN O=C(NCCN1CCCC1)c1ccc(CNC(=O)C2CC=CC2)cc1 ZINC000096419281 463250902 /nfs/dbraw/zinc/25/09/02/463250902.db2.gz QGXUGBSDGGBQHE-UHFFFAOYSA-N 0 3 341.455 2.095 40 0 EEABHN CN1CCN(CCCCNC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000096439065 463265985 /nfs/dbraw/zinc/26/59/85/463265985.db2.gz OEZITJYKMJPKGU-QZTJIDSGSA-N 0 3 336.524 2.282 40 0 EEABHN Cc1cccn2cc(CCN[C@@H]3CCCC[C@@H]3S(C)(=O)=O)nc12 ZINC000096491683 463286727 /nfs/dbraw/zinc/28/67/27/463286727.db2.gz AYSWSKFUXZGFIL-CVEARBPZSA-N 0 3 335.473 2.131 40 0 EEABHN CC1CCN(CCCc2noc([C@@H]3CC(=O)N(CC4CC4)C3)n2)CC1 ZINC000097212441 463348506 /nfs/dbraw/zinc/34/85/06/463348506.db2.gz DHERYAHYIQZAMV-MRXNPFEDSA-N 0 3 346.475 2.460 40 0 EEABHN C[S@@](=O)c1ccc(CN[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000085306193 463644108 /nfs/dbraw/zinc/64/41/08/463644108.db2.gz ZIOSVMWCKYXEAT-CMJOXMDJSA-N 0 3 328.437 2.319 40 0 EEABHN CCN(CC)[C@@H](CNC(=O)Cn1c(C)csc1=O)c1ccccc1 ZINC000044896743 463699540 /nfs/dbraw/zinc/69/95/40/463699540.db2.gz RCTVLMKFSJVLJE-INIZCTEOSA-N 0 3 347.484 2.418 40 0 EEABHN Cc1cc2nc([C@H]3CCCCN3CC3(O)CCOCC3)ccn2n1 ZINC000257304950 463770360 /nfs/dbraw/zinc/77/03/60/463770360.db2.gz SNVIIPLMRRNKTG-MRXNPFEDSA-N 0 3 330.432 2.106 40 0 EEABHN Cc1cccc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)c1 ZINC000257310681 463773105 /nfs/dbraw/zinc/77/31/05/463773105.db2.gz UGCKHHZEGOUSKU-QGZVFWFLSA-N 0 3 338.398 2.303 40 0 EEABHN Cc1nn(C)c2sc(C(=O)NCCCNCc3cccnc3)cc12 ZINC000195542769 464073447 /nfs/dbraw/zinc/07/34/47/464073447.db2.gz WMYJRXYZAOAFRQ-UHFFFAOYSA-N 0 3 343.456 2.248 40 0 EEABHN O=C(NCC[C@@H]1Cn2nccc2CN(C2CCC2)C1)c1ccco1 ZINC000247500613 464686956 /nfs/dbraw/zinc/68/69/56/464686956.db2.gz PUEIOFISLFSBEN-AWEZNQCLSA-N 0 3 328.416 2.281 40 0 EEABHN COc1cccc([C@H]2[C@@H](NCC(=O)NC(C)C)CCN2C2CC2)c1 ZINC000252499199 464971409 /nfs/dbraw/zinc/97/14/09/464971409.db2.gz RWYKDBCXLYCPOJ-HKUYNNGSSA-N 0 3 331.460 2.087 40 0 EEABHN Cc1nc2ccc(N[C@H]3CCN(Cc4ccccc4)[C@@H](C)C3)nn2n1 ZINC000329398466 465321205 /nfs/dbraw/zinc/32/12/05/465321205.db2.gz VGSAHPSZIJIVLY-YOEHRIQHSA-N 0 3 336.443 2.898 40 0 EEABHN CC(C)CCN1CCC[C@@]2(CC(C(=O)NCC(F)(F)F)=NO2)C1 ZINC000585101203 468969290 /nfs/dbraw/zinc/96/92/90/468969290.db2.gz NNHBCOHIMHFAFI-CQSZACIVSA-N 0 3 335.370 2.322 40 0 EEABHN Cc1cccc(O[C@@H]2CCC[C@H](CNCc3cncn3C)[C@H]2O)c1 ZINC000585287000 469010031 /nfs/dbraw/zinc/01/00/31/469010031.db2.gz QLBSOCPEUPMQLR-ATZDWAIDSA-N 0 3 329.444 2.427 40 0 EEABHN CN1CCc2nc([C@@H]3CCCCN3C(=O)c3ccncc3)ncc2C1 ZINC000019590306 283176839 /nfs/dbraw/zinc/17/68/39/283176839.db2.gz WOOMLWPMLKKWFA-KRWDZBQOSA-N 0 3 337.427 2.227 40 0 EEABHN COCCNc1ccc(C[C@H]2CCCN(Cc3ccccn3)C2)nn1 ZINC000072387320 216187267 /nfs/dbraw/zinc/18/72/67/216187267.db2.gz FBGLCKWNHXSSRI-MRXNPFEDSA-N 0 3 341.459 2.385 40 0 EEABHN Cn1cc(CN2CCC[C@@H](Cc3ccc(N4CCCC4)nn3)C2)cn1 ZINC000072387330 216186494 /nfs/dbraw/zinc/18/64/94/216186494.db2.gz INOCGEYLPMMAPO-INIZCTEOSA-N 0 3 340.475 2.265 40 0 EEABHN Cc1noc(C)c1S(=O)(=O)[N-]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000026843031 212536479 /nfs/dbraw/zinc/53/64/79/212536479.db2.gz CGZRXTNWFKHSLQ-UHFFFAOYSA-N 0 3 349.456 2.366 40 0 EEABHN C[C@@H]1CCN(C[C@@H](O)COc2ccccc2C(F)(F)F)C[C@@H]1O ZINC000195559721 241010242 /nfs/dbraw/zinc/01/02/42/241010242.db2.gz NLHGRPZVYYHGQW-BZPMIXESSA-N 0 3 333.350 2.148 40 0 EEABHN CN1CCN(CCC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000020494135 212140134 /nfs/dbraw/zinc/14/01/34/212140134.db2.gz QTEKKUFOYJTHOE-UHFFFAOYSA-N 0 3 331.338 2.161 40 0 EEABHN COCc1cc(=O)[n-]c([C@H]2CCC[N@H+](Cc3cccc(OC)c3)C2)n1 ZINC000019594314 212050186 /nfs/dbraw/zinc/05/01/86/212050186.db2.gz FOWIYYRHWHZHIX-HNNXBMFYSA-N 0 3 343.427 2.305 40 0 EEABHN COCc1cc(=O)[n-]c([C@H]2CCC[N@@H+](Cc3cccc(OC)c3)C2)n1 ZINC000019594314 212050189 /nfs/dbraw/zinc/05/01/89/212050189.db2.gz FOWIYYRHWHZHIX-HNNXBMFYSA-N 0 3 343.427 2.305 40 0 EEABHN CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1cc[nH]n1 ZINC000019589256 212048987 /nfs/dbraw/zinc/04/89/87/212048987.db2.gz YYNMLQAFQOKFPZ-DJIMGWMZSA-N 0 3 328.391 2.251 40 0 EEABHN CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1ccn[nH]1 ZINC000019589256 212048989 /nfs/dbraw/zinc/04/89/89/212048989.db2.gz YYNMLQAFQOKFPZ-DJIMGWMZSA-N 0 3 328.391 2.251 40 0 EEABHN COc1ccccc1C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019568856 212043835 /nfs/dbraw/zinc/04/38/35/212043835.db2.gz XJQVCVPJHUQJBO-MRXNPFEDSA-N 0 3 338.411 2.108 40 0 EEABHN CCC(CC)C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)C[N@H+](C)CC3)C1 ZINC000019500143 212033983 /nfs/dbraw/zinc/03/39/83/212033983.db2.gz OHHBZTBDBDCDOW-AWEZNQCLSA-N 0 3 346.475 2.312 40 0 EEABHN CCC(CC)C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C)CC3)C1 ZINC000019500143 212033985 /nfs/dbraw/zinc/03/39/85/212033985.db2.gz OHHBZTBDBDCDOW-AWEZNQCLSA-N 0 3 346.475 2.312 40 0 EEABHN CCN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)[C@@H](N)C(C)C ZINC000079391426 217218234 /nfs/dbraw/zinc/21/82/34/217218234.db2.gz FMYJTGUXBQSUGR-KBPBESRZSA-N 0 3 327.469 2.075 40 0 EEABHN CCN(CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)[C@H](C)N ZINC000079393135 217218930 /nfs/dbraw/zinc/21/89/30/217218930.db2.gz PNUVIQRFSLLHKH-HNNXBMFYSA-N 0 3 347.459 2.231 40 0 EEABHN Cn1cc(CN2CCOC[C@]3(CCN(Cc4cccs4)C3)C2)cn1 ZINC000096202169 218676392 /nfs/dbraw/zinc/67/63/92/218676392.db2.gz WADJGYPUNCUWMU-SFHVURJKSA-N 0 3 346.500 2.206 40 0 EEABHN CC(C(=O)N(C)C)S(=O)(=O)[C@H](C)c1cccc(Br)c1 ZINC000291923516 275354138 /nfs/dbraw/zinc/35/41/38/275354138.db2.gz NNNZBTPSHLBMEO-ZJUUUORDSA-N 0 3 348.262 2.402 40 0 EEABHN Cc1ccccc1CN1CCC(N2C(=O)[C@@H]3CCCN3C2=O)CC1 ZINC000253630272 281342280 /nfs/dbraw/zinc/34/22/80/281342280.db2.gz UKLRBLGATZMPRH-KRWDZBQOSA-N 0 3 327.428 2.386 40 0 EEABHN COc1cc(OC)cc(C(=O)N2CCCSC[C@H]2CN(C)C)c1 ZINC000085473132 462550497 /nfs/dbraw/zinc/55/04/97/462550497.db2.gz KHESZMNTHQRUBO-CQSZACIVSA-N 0 3 338.473 2.213 40 0 EEABHN O[C@H](COc1ccc2c(c1)OCO2)CN1CCc2ccccc2C1 ZINC000002686983 462599176 /nfs/dbraw/zinc/59/91/76/462599176.db2.gz WXASRCUYCITQEF-INIZCTEOSA-N 0 3 327.380 2.213 40 0 EEABHN Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000002774897 462602400 /nfs/dbraw/zinc/60/24/00/462602400.db2.gz VHUDIFDRYZJSJM-NEPJUHHUSA-N 0 3 330.354 2.078 40 0 EEABHN CNS(=O)(=O)c1cccc([C@@H](C)NC[C@H](O)c2cccc(C)c2)c1 ZINC000090520060 462795988 /nfs/dbraw/zinc/79/59/88/462795988.db2.gz UXPCYNNIVPHHDM-KDOFPFPSSA-N 0 3 348.468 2.287 40 0 EEABHN C[C@@](CO)(NCCS(=O)(=O)c1ccccc1)C1CCCCC1 ZINC000077656443 463017568 /nfs/dbraw/zinc/01/75/68/463017568.db2.gz IVCSTNNZEKTLKP-KRWDZBQOSA-N 0 3 325.474 2.381 40 0 EEABHN O=C(NCC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(CCc2ccccc2)C1 ZINC000096041209 463146389 /nfs/dbraw/zinc/14/63/89/463146389.db2.gz HTCWSTHFFKPNRZ-IPMKNSEASA-N 0 3 328.456 2.235 40 0 EEABHN O=C([C@@H]1CCO[C@@H]2CCN(Cc3cccc(F)c3)C[C@H]21)N1CCCO1 ZINC000096043392 463148054 /nfs/dbraw/zinc/14/80/54/463148054.db2.gz GKHVTJIZGNYSQD-FGTMMUONSA-N 0 3 348.418 2.217 40 0 EEABHN Cc1noc(C)c1CN1CCC2(CCN(c3cncnc3)C2=O)CC1 ZINC000096157913 463189314 /nfs/dbraw/zinc/18/93/14/463189314.db2.gz UMDPKEUCTYRCDW-UHFFFAOYSA-N 0 3 341.415 2.101 40 0 EEABHN Cc1noc(C)c1CN1CCc2ncc(CN3CCCC3)n2CC1 ZINC000096196854 463203326 /nfs/dbraw/zinc/20/33/26/463203326.db2.gz GRAMVUDMXUULGD-UHFFFAOYSA-N 0 3 329.448 2.142 40 0 EEABHN COC[C@H]1C(=O)NCC12CCN(Cc1ccc3ccccc3n1)CC2 ZINC000096216376 463215029 /nfs/dbraw/zinc/21/50/29/463215029.db2.gz IYBRYFJRPRKWHQ-KRWDZBQOSA-N 0 3 339.439 2.209 40 0 EEABHN O=C(c1cscn1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096245504 463225908 /nfs/dbraw/zinc/22/59/08/463225908.db2.gz INFVGVQKNSANQG-ZIAGYGMSSA-N 0 3 331.416 2.486 40 0 EEABHN Cc1cccc(CN2C[C@@H]3CCN(Cc4cccnc4)C(=O)[C@H]3C2)n1 ZINC000096249065 463226814 /nfs/dbraw/zinc/22/68/14/463226814.db2.gz MARNGHAFMBIIPM-HKUYNNGSSA-N 0 3 336.439 2.266 40 0 EEABHN C[C@@H](CNC(=O)NCc1ccccc1Cn1cccn1)N(C)C1CC1 ZINC000096404186 463237984 /nfs/dbraw/zinc/23/79/84/463237984.db2.gz VPBYCFJXRNCZNJ-HNNXBMFYSA-N 0 3 341.459 2.213 40 0 EEABHN CC[C@@H](NC(=O)N[C@H]1CCN(CCOC)C1)c1ccc(F)cc1F ZINC000096415565 463248396 /nfs/dbraw/zinc/24/83/96/463248396.db2.gz ZBDVPTFQVXEGGQ-XJKSGUPXSA-N 0 3 341.402 2.436 40 0 EEABHN CC(C)=CC(=O)NCc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000096431245 463260075 /nfs/dbraw/zinc/26/00/75/463260075.db2.gz GJUYJLFLZYKTQX-SFHVURJKSA-N 0 3 343.471 2.435 40 0 EEABHN CC(C)Nc1ncccc1C(=O)N1CCCN(C2CCOCC2)CC1 ZINC000096437091 463264405 /nfs/dbraw/zinc/26/44/05/463264405.db2.gz WCGZRRHMJMGBTA-UHFFFAOYSA-N 0 3 346.475 2.229 40 0 EEABHN CC(C)Oc1cnc(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)cn1 ZINC000097371591 463355319 /nfs/dbraw/zinc/35/53/19/463355319.db2.gz ZGLOKIWCNAINON-HNNXBMFYSA-N 0 3 340.427 2.397 40 0 EEABHN C[C@H](CCc1cccc(F)c1)N1CCC(NS(C)(=O)=O)CC1 ZINC000097370744 463355608 /nfs/dbraw/zinc/35/56/08/463355608.db2.gz UTDJMXSYKPHVTF-CYBMUJFWSA-N 0 3 328.453 2.160 40 0 EEABHN C[C@H](CNCc1sccc1Br)CN1CCN(C)CC1 ZINC000097378290 463357089 /nfs/dbraw/zinc/35/70/89/463357089.db2.gz JYPGJDNNCPGLIS-GFCCVEGCSA-N 0 3 346.338 2.484 40 0 EEABHN Cc1cc(CNC[C@@H]2CCS(=O)(=O)C2)ccc1Br ZINC000073852635 463662709 /nfs/dbraw/zinc/66/27/09/463662709.db2.gz DUTVOLSJCIFJGE-LBPRGKRZSA-N 0 3 332.263 2.282 40 0 EEABHN O=C(CC1CCCC1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257304219 463770824 /nfs/dbraw/zinc/77/08/24/463770824.db2.gz SKOOXLDSSPYVSA-INIZCTEOSA-N 0 3 330.419 2.261 40 0 EEABHN CC(C(=O)NC(=O)Nc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000194359501 463845112 /nfs/dbraw/zinc/84/51/12/463845112.db2.gz YQCIETLZLRORHB-GFCCVEGCSA-N 0 3 332.381 2.197 40 0 EEABHN CC(=O)N[C@H]1CCCN(C(=O)CN[C@@H](c2ccccc2C)C(C)C)C1 ZINC000195549866 464074750 /nfs/dbraw/zinc/07/47/50/464074750.db2.gz BVQLWDOKTILVAE-FXAWDEMLSA-N 0 3 345.487 2.409 40 0 EEABHN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCN(C)C ZINC000225343297 464155965 /nfs/dbraw/zinc/15/59/65/464155965.db2.gz KQZUUSVIAHAWSF-LGMDPLHJSA-N 0 3 341.411 2.037 40 0 EEABHN CCc1ncc(NC(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)cn1 ZINC000252493116 464968339 /nfs/dbraw/zinc/96/83/39/464968339.db2.gz MZMWUQPIDILBQY-INIZCTEOSA-N 0 3 343.431 2.472 40 0 EEABHN C[C@@H]1C[C@@H](N2C(=O)[C@@H]3CCCN3C2=O)CCN1Cc1ccccc1 ZINC000253630279 465019361 /nfs/dbraw/zinc/01/93/61/465019361.db2.gz WKLKSXSJUWMMBS-PVAVHDDUSA-N 0 3 327.428 2.466 40 0 EEABHN CN(C)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NCc1ccccc1F ZINC000585262374 468996384 /nfs/dbraw/zinc/99/63/84/468996384.db2.gz CFKUMWAHLJPHAQ-ZRNYENFQSA-N 0 3 344.430 2.426 40 0 EEABHN O[C@H]1CCN(C2CCCC2)C[C@]1(O)COc1cc(F)ccc1F ZINC000585282672 469007845 /nfs/dbraw/zinc/00/78/45/469007845.db2.gz MOFXZBWAUODFDQ-IRXDYDNUSA-N 0 3 327.371 2.084 40 0 EEABHN O[C@H]1CCN(C2CCCC2)C[C@]1(O)COc1cc(F)cc(F)c1 ZINC000585284561 469008555 /nfs/dbraw/zinc/00/85/55/469008555.db2.gz YIAFAMQILMSDLH-IRXDYDNUSA-N 0 3 327.371 2.084 40 0 EEABHN OC1CCN([C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)CC1 ZINC000585290669 469010761 /nfs/dbraw/zinc/01/07/61/469010761.db2.gz ZPNVNCHCNNHWAB-GVDBMIGSSA-N 0 3 325.836 2.458 40 0 EEABHN CC(C)(C)CN1CC2(C1)CN(Cc1ccccc1)C[C@@H]1COCCN12 ZINC000604381802 469475056 /nfs/dbraw/zinc/47/50/56/469475056.db2.gz PDQUWBKDNJCNAV-LJQANCHMSA-N 0 3 343.515 2.304 40 0 biogenic,in-vitro EEABHN CN1CCC(c2ccnc(N3CC4(CCOCC4)OC3=O)c2)CC1 ZINC000257217977 536346196 /nfs/dbraw/zinc/34/61/96/536346196.db2.gz DBJQRMWHBHNCDO-UHFFFAOYSA-N 0 3 331.416 2.397 40 0 EEABHN COc1ccc(-c2ccc3nnc([C@@H](N)C(C)C)n3n2)cc1OC ZINC000217565577 536896749 /nfs/dbraw/zinc/89/67/49/536896749.db2.gz QHUXVEQZKLGVDO-INIZCTEOSA-N 0 3 327.388 2.464 40 0 EEABHN CC(C)N(C(=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000100178072 219094187 /nfs/dbraw/zinc/09/41/87/219094187.db2.gz MZAMIVYIKBXJMF-CALCHBBNSA-N 0 3 347.459 2.420 40 0 EEABHN O=C1N[C@]2(CC[C@@H]3CN(Cc4ccccn4)C[C@@H]32)Nc2ccccc21 ZINC000072326856 216152308 /nfs/dbraw/zinc/15/23/08/216152308.db2.gz NDEDJQZRBHVEIH-LIVBEALHSA-N 0 3 334.423 2.475 40 0 EEABHN CCn1cc(C(=O)N2CC[C@H](c3cc(N(C)C)cc(C)n3)C2)cn1 ZINC000257257646 244288913 /nfs/dbraw/zinc/28/89/13/244288913.db2.gz KQNMNDTVYAXSRG-AWEZNQCLSA-N 0 3 327.432 2.302 40 0 EEABHN COCc1cc(=O)[n-]c([C@@H]2CCC[N@H+](Cc3cccc(OC)c3)C2)n1 ZINC000019594313 212050705 /nfs/dbraw/zinc/05/07/05/212050705.db2.gz FOWIYYRHWHZHIX-OAHLLOKOSA-N 0 3 343.427 2.305 40 0 EEABHN COCc1cc(=O)[n-]c([C@@H]2CCC[N@@H+](Cc3cccc(OC)c3)C2)n1 ZINC000019594313 212050707 /nfs/dbraw/zinc/05/07/07/212050707.db2.gz FOWIYYRHWHZHIX-OAHLLOKOSA-N 0 3 343.427 2.305 40 0 EEABHN Cc1n[nH]cc1CN[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000078553290 217075509 /nfs/dbraw/zinc/07/55/09/217075509.db2.gz VZNQOJMXJMRDAV-CQSZACIVSA-N 0 3 331.439 2.460 40 0 EEABHN C[C@H]1C[C@H](NS(=O)(=O)Cc2ccon2)CCN1Cc1ccccc1 ZINC000080294476 217295135 /nfs/dbraw/zinc/29/51/35/217295135.db2.gz BFAMPKBVQYNBEJ-GOEBONIOSA-N 0 3 349.456 2.147 40 0 EEABHN C[C@@H]1CCCCN1C(=O)CN1CCC(n2cnc3cccnc32)CC1 ZINC000012114651 211294602 /nfs/dbraw/zinc/29/46/02/211294602.db2.gz YOGXSTZHLIQZJU-OAHLLOKOSA-N 0 3 341.459 2.469 40 0 EEABHN CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@H](N)Cc1ccccc1 ZINC000096402471 218749938 /nfs/dbraw/zinc/74/99/38/218749938.db2.gz KQYZEFDQQLSXLL-LJQANCHMSA-N 0 3 334.423 2.401 40 0 EEABHN Brc1ccc(Cc2nsc(N3CCNCC3)n2)cc1 ZINC000216642055 532965333 /nfs/dbraw/zinc/96/53/33/532965333.db2.gz JQLXJROVESQMBU-UHFFFAOYSA-N 0 3 339.262 2.301 40 0 EEABHN Cc1ncccc1C(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000097238280 219002920 /nfs/dbraw/zinc/00/29/20/219002920.db2.gz TVGFZBCELVLATJ-GOSISDBHSA-N 0 3 339.439 2.277 40 0 EEABHN Cc1cc(C)nc(N2CCO[C@@H](c3cc(N(C)C)cc(C)n3)C2)n1 ZINC000257248572 274694560 /nfs/dbraw/zinc/69/45/60/274694560.db2.gz JEGRVYTYCKKKKA-QGZVFWFLSA-N 0 3 327.432 2.441 40 0 EEABHN CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc2[nH]ccc21)N1CCCC1 ZINC000077729163 275669321 /nfs/dbraw/zinc/66/93/21/275669321.db2.gz CBFISIXRDHQCET-QGZVFWFLSA-N 0 3 342.443 2.343 40 0 EEABHN CN1CC(=O)N(c2cccnc2)C[C@]12CCN(Cc1ccccc1)C2 ZINC000096050182 463153586 /nfs/dbraw/zinc/15/35/86/463153586.db2.gz GXXXHMQJHXZNES-HXUWFJFHSA-N 0 3 336.439 2.005 40 0 EEABHN O=C(N[C@@H]1CCC12CCN(Cc1ccccn1)CC2)c1cnccn1 ZINC000096051499 463154517 /nfs/dbraw/zinc/15/45/17/463154517.db2.gz IWBWEIVQPNZDGS-QGZVFWFLSA-N 0 3 337.427 2.046 40 0 EEABHN CCn1nnc2c1[C@@H](COCCN(C)C)CN(Cc1ccsc1)C2 ZINC000096060856 463161241 /nfs/dbraw/zinc/16/12/41/463161241.db2.gz NPKGPOPNQTVAJN-OAHLLOKOSA-N 0 3 349.504 2.037 40 0 EEABHN CCn1nnc2c1[C@H](COCCN(C)C)CN(Cc1ccsc1)C2 ZINC000096060857 463161370 /nfs/dbraw/zinc/16/13/70/463161370.db2.gz NPKGPOPNQTVAJN-HNNXBMFYSA-N 0 3 349.504 2.037 40 0 EEABHN C[C@H]1C[C@H](Nc2cccc(N3CCN(CC4CC4)CC3)c2)C(=O)O1 ZINC000079029883 463181063 /nfs/dbraw/zinc/18/10/63/463181063.db2.gz LWCWRGQLFUAHHS-KSSFIOAISA-N 0 3 329.444 2.335 40 0 EEABHN Cn1cc(C[C@H]2[C@@H](OCC3CC3)CCN2Cc2cccnc2)cn1 ZINC000096200691 463206337 /nfs/dbraw/zinc/20/63/37/463206337.db2.gz AZJZJAOMLPBMSF-OALUTQOASA-N 0 3 326.444 2.427 40 0 EEABHN c1coc(CN2CC[C@@]3(C2)COCCN(Cc2nccs2)C3)c1 ZINC000096202124 463206587 /nfs/dbraw/zinc/20/65/87/463206587.db2.gz SYOIIOIACXRZLO-KRWDZBQOSA-N 0 3 333.457 2.461 40 0 EEABHN c1coc(CN2CC[C@@]3(C2)COCCN(Cc2ccccn2)C3)c1 ZINC000096202129 463207666 /nfs/dbraw/zinc/20/76/66/463207666.db2.gz NDUGKIBNNWPKES-IBGZPJMESA-N 0 3 327.428 2.399 40 0 EEABHN COc1ccccc1CN1CC[C@H]2[C@@H](CC(=O)NC3CC3)OC[C@H]2C1 ZINC000096207338 463210088 /nfs/dbraw/zinc/21/00/88/463210088.db2.gz CNEJWQMTPYFXSB-SZVBFZGTSA-N 0 3 344.455 2.201 40 0 EEABHN Cc1csc(C[C@H]2OC[C@H]3CN(Cc4cnn(C)c4)CC[C@H]32)n1 ZINC000096216169 463214771 /nfs/dbraw/zinc/21/47/71/463214771.db2.gz BIUXFYSOQCKYHI-BZUAXINKSA-N 0 3 332.473 2.265 40 0 EEABHN CN(Cc1ccccn1)[C@@H]1CO[C@]2(CCN(Cc3ccncc3)C2)C1 ZINC000096219892 463217465 /nfs/dbraw/zinc/21/74/65/463217465.db2.gz NPCSWIDYDJIEDJ-VQTJNVASSA-N 0 3 338.455 2.342 40 0 EEABHN Cc1noc(C)c1C(=O)N1CC[C@@H]2OCCN(CC3CC3)[C@H]2CC1 ZINC000096249339 463227357 /nfs/dbraw/zinc/22/73/57/463227357.db2.gz SQNBGLVBRHOGHU-HOTGVXAUSA-N 0 3 333.432 2.007 40 0 EEABHN CN(C)CCn1ccc(NC(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)n1 ZINC000096447176 463271061 /nfs/dbraw/zinc/27/10/61/463271061.db2.gz WMWVZLVTGGFNPK-NVXWUHKLSA-N 0 3 343.431 2.096 40 0 EEABHN Cc1cn2c(n1)CC[C@@H](N[C@@H]1CCCN(c3ccccc3F)C1=O)C2 ZINC000096486207 463284182 /nfs/dbraw/zinc/28/41/82/463284182.db2.gz HIATWEVIZJVSRJ-GDBMZVCRSA-N 0 3 342.418 2.431 40 0 EEABHN CC(C)[C@@H](NCc1cccc2cccnc21)C(=O)N1CCOCC1 ZINC000084053193 463574229 /nfs/dbraw/zinc/57/42/29/463574229.db2.gz DLONOQKQLJOPNN-QGZVFWFLSA-N 0 3 327.428 2.208 40 0 EEABHN Cc1nn(C)cc1CN1CC[C@@]2(CCC[C@H]2C(=O)N2CCCCO2)C1 ZINC000108527299 463610281 /nfs/dbraw/zinc/61/02/81/463610281.db2.gz GHQBRCFLTMZJIH-HKUYNNGSSA-N 0 3 346.475 2.275 40 0 EEABHN CN1CCC(NC(=O)Nc2cccc(CN3CCCC3=O)c2)CC1 ZINC000058894949 463630120 /nfs/dbraw/zinc/63/01/20/463630120.db2.gz SRYKOUOVULSAPB-UHFFFAOYSA-N 0 3 330.432 2.025 40 0 EEABHN O=C(c1cc2ccccn2c1)N1CCCN(C2CCOCC2)CC1 ZINC000073858835 463662759 /nfs/dbraw/zinc/66/27/59/463662759.db2.gz FIEXLTZUAIEPHR-UHFFFAOYSA-N 0 3 327.428 2.266 40 0 EEABHN CN(C)Cc1cnc([C@H]2CCN(C(=O)CCc3ccccc3)C2)[nH]1 ZINC000257282204 463760365 /nfs/dbraw/zinc/76/03/65/463760365.db2.gz OSVVREDDDUINMA-INIZCTEOSA-N 0 3 326.444 2.420 40 0 EEABHN COC(=O)[C@@H]1CCN(Cc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000195547916 464074397 /nfs/dbraw/zinc/07/43/97/464074397.db2.gz KXKQICJGNUOFOG-HLLBOEOZSA-N 0 3 332.444 2.295 40 0 EEABHN CC[S@](=O)[C@@H]1CCCC[C@@H]1NC1CN(C(=O)OC(C)(C)C)C1 ZINC000195573158 464078891 /nfs/dbraw/zinc/07/88/91/464078891.db2.gz GZEJNDTXMIZIHZ-VVYDWRJNSA-N 0 3 330.494 2.275 40 0 EEABHN Cc1ccc([C@]2(O)CCC[C@@H]3CN(Cc4cnc(N)nc4)C[C@H]32)cc1 ZINC000248058318 464727243 /nfs/dbraw/zinc/72/72/43/464727243.db2.gz COVSVXKTEGLWQD-YVWKXTFCSA-N 0 3 338.455 2.487 40 0 EEABHN CN1CC[C@H](COc2ccccn2)CC12CN(Cc1ccncc1)C2 ZINC000248130475 464732768 /nfs/dbraw/zinc/73/27/68/464732768.db2.gz MZGAORZCELOYSP-SFHVURJKSA-N 0 3 338.455 2.452 40 0 EEABHN C[C@H](Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1)[C@@H]1CCOC1 ZINC000252483609 464961586 /nfs/dbraw/zinc/96/15/86/464961586.db2.gz FFWIURXSHCLECR-USXIJHARSA-N 0 3 331.460 2.221 40 0 EEABHN CCN(C(=O)[C@H](C)N)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000252517184 464977698 /nfs/dbraw/zinc/97/76/98/464977698.db2.gz BRMKABLDJUJTOG-XIRDDKMYSA-N 0 3 347.459 2.420 40 0 EEABHN COC[C@@]1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000252516219 464978311 /nfs/dbraw/zinc/97/83/11/464978311.db2.gz QOLBHTYYYIAOBA-KZNAEPCWSA-N 0 3 349.427 2.357 40 0 EEABHN CC[C@H]1CN(C(=O)c2ccncc2F)[C@@H](CC)CN1CC(C)(C)O ZINC000252549076 464983271 /nfs/dbraw/zinc/98/32/71/464983271.db2.gz QSLKVQKCUFPYLY-KBPBESRZSA-N 0 3 337.439 2.307 40 0 EEABHN C[C@H](C(=O)N[C@@H]1C=C[C@H](CO)C1)N1CCC(Cc2ccccc2)CC1 ZINC000253416392 465004671 /nfs/dbraw/zinc/00/46/71/465004671.db2.gz PKXZYGJALYXRIL-LSTHTHJFSA-N 0 3 342.483 2.383 40 0 EEABHN O=C1[C@@H]2CCCN2C(=O)N1C1CCN(CCc2ccccc2)CC1 ZINC000253420169 465007783 /nfs/dbraw/zinc/00/77/83/465007783.db2.gz HWYIHOGQHYYEMG-KRWDZBQOSA-N 0 3 327.428 2.120 40 0 EEABHN CC(C)N(C)CC(=O)N1CCc2[nH]nc(-c3cccc(F)c3)c2CC1 ZINC000585110305 468974065 /nfs/dbraw/zinc/97/40/65/468974065.db2.gz CDERPBCJNCNDHA-UHFFFAOYSA-N 0 3 344.434 2.483 40 0 EEABHN CN(C)C1(CN(C)C(=O)NCc2ccc([S@](C)=O)cc2)CCC1 ZINC000187289542 236169349 /nfs/dbraw/zinc/16/93/49/236169349.db2.gz DRYZBGXBWWXDOR-QHCPKHFHSA-N 0 3 337.489 2.050 40 0 EEABHN CNCC(=O)N1CCCC[C@@H]1c1nc(C)cc(Nc2nccs2)n1 ZINC000072363285 283498408 /nfs/dbraw/zinc/49/84/08/283498408.db2.gz MJKHMQDZXLFRSN-GFCCVEGCSA-N 0 3 346.460 2.258 40 0 EEABHN NCC(=O)N1CCC[C@H](c2cncc(Oc3cccc(F)c3)n2)C1 ZINC000072363203 216169898 /nfs/dbraw/zinc/16/98/98/216169898.db2.gz GMUBJLSEOBHHDT-LBPRGKRZSA-N 0 3 330.363 2.073 40 0 EEABHN NCC(=O)N1CCC(c2nccnc2Oc2ccc(F)cc2)CC1 ZINC000072363189 216170087 /nfs/dbraw/zinc/17/00/87/216170087.db2.gz MWXJWHDSFOMERX-UHFFFAOYSA-N 0 3 330.363 2.073 40 0 EEABHN CN(C(=O)[C@@H]1CCCO1)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019586644 212048922 /nfs/dbraw/zinc/04/89/22/212048922.db2.gz UHTJKSGLUOZGPP-IPCDKGFNSA-N 0 3 344.455 2.487 40 0 EEABHN Cc1cc(C)n(-c2nc(C(=O)NCCN3CCC(C)CC3)cs2)n1 ZINC000019116456 212001049 /nfs/dbraw/zinc/00/10/49/212001049.db2.gz GQWSXSHZFHAAJL-UHFFFAOYSA-N 0 3 347.488 2.407 40 0 EEABHN CC(C)[C@H](N)C(=O)N(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000079391486 217218393 /nfs/dbraw/zinc/21/83/93/217218393.db2.gz YTPCZHDEUMIJKP-ZFWWWQNUSA-N 0 3 339.480 2.218 40 0 EEABHN COc1ccc(CN2C[C@@H]3CN(Cc4ccncc4)C[C@@H]3C2=O)cc1 ZINC000096080751 218579501 /nfs/dbraw/zinc/57/95/01/218579501.db2.gz URKUXCDCSZFNBD-HKUYNNGSSA-N 0 3 337.423 2.181 40 0 EEABHN CN1CCN(CCCN2CC[C@@H](Oc3cccc(Cl)c3)C2)CC1 ZINC000097235632 219002206 /nfs/dbraw/zinc/00/22/06/219002206.db2.gz WIDMVUXUAXBYQQ-GOSISDBHSA-N 0 3 337.895 2.431 40 0 EEABHN Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)N(C)CCN(C)C ZINC000154829813 224312780 /nfs/dbraw/zinc/31/27/80/224312780.db2.gz PKDAUFFIWDXGPX-UHFFFAOYSA-N 0 3 346.456 2.077 40 0 EEABHN CO[C@H]1CCN(Cc2ccco2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096208804 274080967 /nfs/dbraw/zinc/08/09/67/274080967.db2.gz LECHBCHVVQRTGY-OTWHNJEPSA-N 0 3 327.428 2.396 40 0 EEABHN C[C@]12CN(CCc3ccccc3)C[C@H]1C(=O)Nc1ccccc1C(=O)N2 ZINC000019576355 280177391 /nfs/dbraw/zinc/17/73/91/280177391.db2.gz BZNCLASMVBQSAJ-UWJYYQICSA-N 0 3 349.434 2.302 40 0 EEABHN C[C@H](O)[C@H]1CCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000097102724 323321245 /nfs/dbraw/zinc/32/12/45/323321245.db2.gz IKJSCECHGJNROI-QRFRQXIXSA-N 0 3 345.487 2.453 40 0 EEABHN CCS[C@@H]1CCCC[C@@H]1N[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000190015915 323466376 /nfs/dbraw/zinc/46/63/76/323466376.db2.gz NBKRLTLEDAZVTE-RRFJBIMHSA-N 0 3 336.505 2.488 40 0 EEABHN O=C1CCCN1[C@H]1CCCN(CCc2nc(-c3ccccc3)no2)C1 ZINC000077286493 462962981 /nfs/dbraw/zinc/96/29/81/462962981.db2.gz KIPSEYOOFTYICU-INIZCTEOSA-N 0 3 340.427 2.366 40 0 EEABHN COc1ccc([C@H](N)c2nc(CNc3cccc(OC)c3)n[nH]2)cc1 ZINC000095533694 463106823 /nfs/dbraw/zinc/10/68/23/463106823.db2.gz GVRCWORNNLOXLV-KRWDZBQOSA-N 0 3 339.399 2.482 40 0 EEABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccco3)C[C@H]21)Nc1cccnc1 ZINC000096040866 463144958 /nfs/dbraw/zinc/14/49/58/463144958.db2.gz MWYJYLHIBOLPEK-RKVPGOIHSA-N 0 3 341.411 2.398 40 0 EEABHN Cc1cccc(CN2CC[C@H]3OCC[C@@H](C(=O)NCC4CC4)[C@H]3C2)n1 ZINC000096043407 463148613 /nfs/dbraw/zinc/14/86/13/463148613.db2.gz SLYGMIINLRJSCV-GUDVDZBRSA-N 0 3 343.471 2.143 40 0 EEABHN O=C1N(Cc2cccnc2)CC[C@]12CCCN(Cc1ccncc1)C2 ZINC000096048632 463151448 /nfs/dbraw/zinc/15/14/48/463151448.db2.gz JXJDVMPTVIYIEO-FQEVSTJZSA-N 0 3 336.439 2.491 40 0 EEABHN Cn1cc(CN2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)cn1 ZINC000096050617 463155081 /nfs/dbraw/zinc/15/50/81/463155081.db2.gz GZMSRKJNWNHFEK-IBGZPJMESA-N 0 3 342.418 2.184 40 0 EEABHN COc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3c2cnn(C)c2)cc1 ZINC000096056628 463157836 /nfs/dbraw/zinc/15/78/36/463157836.db2.gz VCMLMVYSTKOIMB-QZTJIDSGSA-N 0 3 340.427 2.199 40 0 EEABHN Cc1ccc(CN2CC[C@H]3OCC[C@@H](C(=O)NCC4CC4)[C@@H]3C2)o1 ZINC000096058257 463160304 /nfs/dbraw/zinc/16/03/04/463160304.db2.gz MRKXDPASWVDQGP-FGTMMUONSA-N 0 3 332.444 2.341 40 0 EEABHN O=C(NCc1ccco1)[C@@H]1CN(Cc2ccsc2)C[C@H]2OCC[C@H]21 ZINC000096064902 463163625 /nfs/dbraw/zinc/16/36/25/463163625.db2.gz KFVRODZJRCIAAS-GVDBMIGSSA-N 0 3 346.452 2.494 40 0 EEABHN O=C(COc1ccccc1)N1C[C@H]2CC[C@@H]1[C@@H]2OCCN1CCCC1 ZINC000096253669 463228830 /nfs/dbraw/zinc/22/88/30/463228830.db2.gz YQZAIGARBNHOTB-YVWKXTFCSA-N 0 3 344.455 2.167 40 0 EEABHN CCN1CCc2cc(C(=O)NCC3CC3)c(NCC3CC3)nc2CC1 ZINC000096260609 463231228 /nfs/dbraw/zinc/23/12/28/463231228.db2.gz XTRJXRFTJDACKC-UHFFFAOYSA-N 0 3 342.487 2.464 40 0 EEABHN COCCN1CC[C@@H](NC(=O)N[C@H](c2ncccc2C)C(C)C)C1 ZINC000096413327 463246071 /nfs/dbraw/zinc/24/60/71/463246071.db2.gz GVCZCWBQYATKNM-CVEARBPZSA-N 0 3 334.464 2.107 40 0 EEABHN CCn1nc(C)c(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)c1C ZINC000096427668 463257051 /nfs/dbraw/zinc/25/70/51/463257051.db2.gz TXGPORCOJVZUIA-UHFFFAOYSA-N 0 3 342.509 2.013 40 0 EEABHN Cc1nc(C2CCN(CCC(=O)NCc3ccc(F)cc3)CC2)no1 ZINC000096435770 463263092 /nfs/dbraw/zinc/26/30/92/463263092.db2.gz GPVOZZAREZWKJU-UHFFFAOYSA-N 0 3 346.406 2.403 40 0 EEABHN COCCN1CCC[C@@H](NC(=O)N[C@@H](c2nccs2)C2CC2)C1 ZINC000096440589 463267150 /nfs/dbraw/zinc/26/71/50/463267150.db2.gz GGMYLMVHWMORGR-ZIAGYGMSSA-N 0 3 338.477 2.004 40 0 EEABHN CC(C(=O)N1CCCC1)S(=O)(=O)Cc1nc(C(C)(C)C)cs1 ZINC000096461707 463276265 /nfs/dbraw/zinc/27/62/65/463276265.db2.gz LFFBUTOFNCQXLC-NSHDSACASA-N 0 3 344.502 2.366 40 0 EEABHN CCN(C(C)=O)[C@H]1CCOC2(CCN(Cc3ccccn3)CC2)C1 ZINC000257295693 463766937 /nfs/dbraw/zinc/76/69/37/463766937.db2.gz QZMIVPALEZZSIA-SFHVURJKSA-N 0 3 331.460 2.464 40 0 EEABHN Cc1cc(N)cc([C@H]2CN(C(=O)Cc3cccc(F)c3)CCO2)n1 ZINC000257321196 463776874 /nfs/dbraw/zinc/77/68/74/463776874.db2.gz WAOJXACWFLZVNR-QGZVFWFLSA-N 0 3 329.375 2.254 40 0 EEABHN CC(C(=O)N1CCC[C@]1(c1ccccc1)C(F)(F)F)S(C)(=O)=O ZINC000195570861 464078902 /nfs/dbraw/zinc/07/89/02/464078902.db2.gz LGLXJHLNSRGHSE-RISCZKNCSA-N 0 3 349.374 2.500 40 0 EEABHN COc1ccccc1[C@H]1CC[C@@H](C)CN1CCCS(N)(=O)=O ZINC000239782504 464443673 /nfs/dbraw/zinc/44/36/73/464443673.db2.gz COTDFFPPWWTUSX-UKRRQHHQSA-N 0 3 326.462 2.147 40 0 EEABHN O=C1[C@H](N[C@H]2CCO[C@@H]2c2ccccc2)CCN1CC(F)(F)F ZINC000191958295 464835279 /nfs/dbraw/zinc/83/52/79/464835279.db2.gz UEPILEYCAJARDD-BFHYXJOUSA-N 0 3 328.334 2.269 40 0 EEABHN CC(=O)N1CCN(C2CCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282411 469007873 /nfs/dbraw/zinc/00/78/73/469007873.db2.gz JPMBSZYXAZDXAI-FQEVSTJZSA-N 0 3 346.471 2.130 40 0 EEABHN O[C@]1(COc2cc(F)cc(F)c2)COCCN(C2CCCC2)C1 ZINC000585283633 469008061 /nfs/dbraw/zinc/00/80/61/469008061.db2.gz SRYFKKBUAVNOJQ-KRWDZBQOSA-N 0 3 327.371 2.350 40 0 EEABHN Cc1cc(N)cc([C@H]2CN(S(=O)(=O)C3CCCCC3)CCO2)n1 ZINC000257267696 500961112 /nfs/dbraw/zinc/96/11/12/500961112.db2.gz MILHSSVLKKKERF-MRXNPFEDSA-N 0 3 339.461 2.008 40 0 EEABHN COc1ccc(C[C@H]2CC3(CO2)CCN(C(=O)C(C)(C)N)CC3)cc1 ZINC000257235115 536530897 /nfs/dbraw/zinc/53/08/97/536530897.db2.gz GWMOIAJPBHJCKG-KRWDZBQOSA-N 0 3 346.471 2.373 40 0 EEABHN NCC(=O)N(C1CC1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000100178055 219094418 /nfs/dbraw/zinc/09/44/18/219094418.db2.gz CEHITUOYEFHOLO-IYBDPMFKSA-N 0 3 345.443 2.174 40 0 EEABHN N=C1Nc2nc(=O)c3ccccc3n2[C@@H](c2ccccc2Cl)N1 ZINC000022241389 283410319 /nfs/dbraw/zinc/41/03/19/283410319.db2.gz GVDJPWZJUHAMGN-ZDUSSCGKSA-N 0 3 325.759 2.337 40 0 EEABHN C[C@@H](N)C(=O)N1CC[C@@H]2O[C@@H]3c4ccccc4OC(C)(C)[C@H]3C[C@@H]2C1 ZINC000257215595 296014540 /nfs/dbraw/zinc/01/45/40/296014540.db2.gz CQUSRBABJCSKPU-XIEICWMBSA-N 0 3 344.455 2.500 40 0 EEABHN Cc1cccnc1CN1CCC2(CC1)C[C@H](NC(=O)C1CC1)CCO2 ZINC000108536296 219904167 /nfs/dbraw/zinc/90/41/67/219904167.db2.gz JLDOYHPMFAIJPP-QGZVFWFLSA-N 0 3 343.471 2.430 40 0 EEABHN COc1cccc(O[C@H]2CCN(Cc3cccn3C)CC[C@@H]2O)c1 ZINC000257209307 244146089 /nfs/dbraw/zinc/14/60/89/244146089.db2.gz BPWBXYNZCGWIEG-OALUTQOASA-N 0 3 330.428 2.438 40 0 EEABHN Cc1cc(-c2nccn2C)nc([C@@H]2CCCN2C2CCN(C)CC2)n1 ZINC000257221903 244189258 /nfs/dbraw/zinc/18/92/58/244189258.db2.gz DRAPQHMBQUHIAK-KRWDZBQOSA-N 0 3 340.475 2.417 40 0 EEABHN O=C(CC1CCCCC1)N1CCC(c2nnc3n2CCNCC3)CC1 ZINC000019709246 212055736 /nfs/dbraw/zinc/05/57/36/212055736.db2.gz WZJQRZZVLYTLBW-UHFFFAOYSA-N 0 3 345.491 2.100 40 0 EEABHN CN1CCC[C@@H](CNc2ccc3nnnn3n2)[C@@H]1c1cccs1 ZINC000078338461 217041486 /nfs/dbraw/zinc/04/14/86/217041486.db2.gz KLHAACFODGTKJI-XHDPSFHLSA-N 0 3 329.433 2.076 40 0 EEABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@@]2(CN)CO)cc1 ZINC000218505894 292186000 /nfs/dbraw/zinc/18/60/00/292186000.db2.gz CCADMWIVQDUJHT-KZNAEPCWSA-N 0 3 349.427 2.011 40 0 EEABHN CN(C)C[C@@H]1CN(C(=O)c2ccc3ccccc3n2)Cc2ccnn21 ZINC000248143248 276798287 /nfs/dbraw/zinc/79/82/87/276798287.db2.gz UYOSICSDJNNISD-MRXNPFEDSA-N 0 3 335.411 2.190 40 0 EEABHN COC(=O)C1=C(CN2CCCC2)NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000020029433 277051125 /nfs/dbraw/zinc/05/11/25/277051125.db2.gz UDFHWMCWLYJAAK-KRWDZBQOSA-N 0 3 343.427 2.180 40 0 EEABHN CN1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CCCC[C@H]2n2cccn2)C1 ZINC000245914354 277156802 /nfs/dbraw/zinc/15/68/02/277156802.db2.gz GGUNTMYYSPYNNS-BRSBDYLESA-N 0 3 345.491 2.493 40 0 EEABHN COc1ccc(NCc2n[nH]c([C@@H](N)c3ccc(OC)cc3)n2)cc1 ZINC000095533686 463107579 /nfs/dbraw/zinc/10/75/79/463107579.db2.gz AUFDATNGWVHGED-KRWDZBQOSA-N 0 3 339.399 2.482 40 0 EEABHN CNC(=O)[C@H]1CO[C@H]2CCN(Cc3ccc4ccccc4n3)C[C@H]2C1 ZINC000096042655 463147926 /nfs/dbraw/zinc/14/79/26/463147926.db2.gz DFBIELVITHRPAP-MDZRGWNJSA-N 0 3 339.439 2.208 40 0 EEABHN COc1ccc(CN2CCC3(CC[C@@H](C(=O)N(C)C)O3)CC2)cc1 ZINC000096061136 463161162 /nfs/dbraw/zinc/16/11/62/463161162.db2.gz SQLUFZKZEQOQII-KRWDZBQOSA-N 0 3 332.444 2.297 40 0 EEABHN c1cc(-c2nnn3c2CO[C@H](CNCc2ccncc2)C3)cs1 ZINC000096061056 463161451 /nfs/dbraw/zinc/16/14/51/463161451.db2.gz VKJVJBWPSUGQJO-CQSZACIVSA-N 0 3 327.413 2.090 40 0 EEABHN O=C(NC[C@]12COC[C@H]1CN(Cc1cccs1)C2)c1ccco1 ZINC000096108444 463176917 /nfs/dbraw/zinc/17/69/17/463176917.db2.gz MCEBRJJBOZZQLS-DYVFJYSZSA-N 0 3 332.425 2.220 40 0 EEABHN CN(C)CCOCc1cncc2c1CCN(C(=O)c1ccsc1)C2 ZINC000096189343 463201674 /nfs/dbraw/zinc/20/16/74/463201674.db2.gz DVFXMHZQVJLNGT-UHFFFAOYSA-N 0 3 345.468 2.420 40 0 EEABHN Cc1noc(C)c1CN1CCN(CCN(C)C)c2nc(C)ccc2C1 ZINC000096199014 463204774 /nfs/dbraw/zinc/20/47/74/463204774.db2.gz YSKVDLAJQGZYAZ-UHFFFAOYSA-N 0 3 343.475 2.379 40 0 EEABHN c1ccc(CN2CC[C@H]3[C@@H](Cc4nnc(C5CC5)o4)OC[C@H]3C2)nc1 ZINC000096216757 463215544 /nfs/dbraw/zinc/21/55/44/463215544.db2.gz IQJGYYVQCAVIKC-DJIMGWMZSA-N 0 3 340.427 2.422 40 0 EEABHN Cc1cccc(CN2CCC3(C[C@H](Nc4ncccn4)CO3)CC2)n1 ZINC000096221561 463217926 /nfs/dbraw/zinc/21/79/26/463217926.db2.gz FGTFCJSUTFXQJH-KRWDZBQOSA-N 0 3 339.443 2.416 40 0 EEABHN O=C(Cc1cccs1)N1CCC2(CC1)COCCN2CC1CC1 ZINC000096226178 463221026 /nfs/dbraw/zinc/22/10/26/463221026.db2.gz IHIKVPBHUJUNDY-UHFFFAOYSA-N 0 3 334.485 2.394 40 0 EEABHN Cc1cc(N2CC[C@@H](N[C@@H](C)CCc3ccc(O)cc3)C2=O)n(C)n1 ZINC000136471961 463241816 /nfs/dbraw/zinc/24/18/16/463241816.db2.gz USZJWKGMMDFARV-SUMWQHHRSA-N 0 3 342.443 2.150 40 0 EEABHN O=S(=O)(CC1CCOCC1)N[C@@H]1CCCN(C2CCCCC2)C1 ZINC000096427970 463258439 /nfs/dbraw/zinc/25/84/39/463258439.db2.gz XRILMIJFDMPJMJ-MRXNPFEDSA-N 0 3 344.521 2.130 40 0 EEABHN Cn1cc(-c2cc(CN3CC[C@@H](CNc4ccccn4)C3)on2)cn1 ZINC000185008108 463735465 /nfs/dbraw/zinc/73/54/65/463735465.db2.gz OJHPWIPXAKCNHB-AWEZNQCLSA-N 0 3 338.415 2.404 40 0 EEABHN Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(CC(=O)N(C)C)C2)n1 ZINC000257228814 463757548 /nfs/dbraw/zinc/75/75/48/463757548.db2.gz FVJDRWPOUREGAB-HNNXBMFYSA-N 0 3 342.443 2.306 40 0 EEABHN O=C(c1cccc(F)c1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257282762 463762077 /nfs/dbraw/zinc/76/20/77/463762077.db2.gz OVETVIDNLVMIAI-INIZCTEOSA-N 0 3 342.361 2.134 40 0 EEABHN COc1ccc([C@@H](C)NC[C@@]2(O)CCOC2)c(Br)c1 ZINC000225549551 464171045 /nfs/dbraw/zinc/17/10/45/464171045.db2.gz FQNRDYRGJVLKIS-YGRLFVJLSA-N 0 3 330.222 2.260 40 0 EEABHN CCOc1cccc(C(=O)N2CC3(C2)C[C@H](CO)CN3CC2CC2)c1 ZINC000585093774 468963046 /nfs/dbraw/zinc/96/30/46/468963046.db2.gz FJYUHIOXBLPOMM-INIZCTEOSA-N 0 3 344.455 2.004 40 0 EEABHN Cc1ccc(CC(=O)N2Cc3ccnn3CC[C@@H]2CN(C)C)cc1 ZINC000585098547 468967508 /nfs/dbraw/zinc/96/75/08/468967508.db2.gz ZHUNFWYAOGQGRH-QGZVFWFLSA-N 0 3 326.444 2.097 40 0 EEABHN CCN1CCCC[C@@H]1CNc1cc(C)c(F)cc1S(N)(=O)=O ZINC000585141576 468991680 /nfs/dbraw/zinc/99/16/80/468991680.db2.gz CXUTWRIJCXLWJN-GFCCVEGCSA-N 0 3 329.441 2.068 40 0 EEABHN O=C(CNC1CCC2(CC1)OCCO2)Nc1ccc(F)c(F)c1F ZINC000154886320 534586563 /nfs/dbraw/zinc/58/65/63/534586563.db2.gz KHTDEUCZXCDAQC-UHFFFAOYSA-N 0 3 344.333 2.318 40 0 EEABHN CCO[C@@H]1C[C@H](NCc2ccc(N3CCN(C)CC3)nc2)C12CCC2 ZINC000181456155 527942337 /nfs/dbraw/zinc/94/23/37/527942337.db2.gz INUWZQHDUYOXLF-ZWKOTPCHSA-N 0 3 344.503 2.271 40 0 EEABHN COCCN1CCC[C@H](c2nccnc2-c2cccc(C(N)=O)c2)C1 ZINC000072358505 216166123 /nfs/dbraw/zinc/16/61/23/216166123.db2.gz IGLNDJRSEYTFRW-INIZCTEOSA-N 0 3 340.427 2.068 40 0 EEABHN COCCNc1ccc(C[C@H]2CCCN(Cc3ccncc3)C2)nn1 ZINC000072387310 216186772 /nfs/dbraw/zinc/18/67/72/216186772.db2.gz XKUOTWVTNBINHK-QGZVFWFLSA-N 0 3 341.459 2.385 40 0 EEABHN CN(C(=O)c1ccncc1F)C1CCN(CCc2ccccn2)CC1 ZINC000132371637 223324777 /nfs/dbraw/zinc/32/47/77/223324777.db2.gz ZUPQCBPMXXGVCC-UHFFFAOYSA-N 0 3 342.418 2.395 40 0 EEABHN COc1ccc(C)cc1CC(=O)NCc1c[nH]c([C@@H]2CCN(C)C2)n1 ZINC000257246397 244258067 /nfs/dbraw/zinc/25/80/67/244258067.db2.gz ITYXXRUWJXCQJG-CQSZACIVSA-N 0 3 342.443 2.005 40 0 EEABHN CNc1cc(C)nc([C@H]2CN(S(=O)(=O)C3CCCC3)CCO2)c1 ZINC000257263817 244355455 /nfs/dbraw/zinc/35/54/55/244355455.db2.gz LRPLUXCLCSHBMS-MRXNPFEDSA-N 0 3 339.461 2.077 40 0 EEABHN C[C@@H](NC1(CNC(=O)c2cnccn2)CCOCC1)c1ccccc1 ZINC000079096165 217191873 /nfs/dbraw/zinc/19/18/73/217191873.db2.gz BRIDLXLQXGIKHB-OAHLLOKOSA-N 0 3 340.427 2.106 40 0 EEABHN CC(C)[C@H](N)C(=O)NC[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079393253 217218783 /nfs/dbraw/zinc/21/87/83/217218783.db2.gz JJBYGJZXDAVYHZ-SJORKVTESA-N 0 3 347.459 2.277 40 0 EEABHN C[C@H](N[C@@H]1CCc2n[nH]cc2C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000090455238 217930849 /nfs/dbraw/zinc/93/08/49/217930849.db2.gz OZDZQBVSDWDIMF-GXFFZTMASA-N 0 3 337.420 2.160 40 0 EEABHN OCCNc1nc(NCCC2=CCCCC2)nc(N2CCCC2)n1 ZINC000005027186 210366658 /nfs/dbraw/zinc/36/66/58/210366658.db2.gz NXPARRSKSIWLCB-UHFFFAOYSA-N 0 3 332.452 2.178 40 0 EEABHN CN(C)CCOc1cc(C(=O)N2CCC[C@H]2c2ccncc2)ccn1 ZINC000097237455 219002821 /nfs/dbraw/zinc/00/28/21/219002821.db2.gz PYGOBAJZMWYDJI-KRWDZBQOSA-N 0 3 340.427 2.394 40 0 EEABHN CO[C@@H]1CC[C@@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000187862120 533426737 /nfs/dbraw/zinc/42/67/37/533426737.db2.gz NULMVCYXICDMKD-QZTJIDSGSA-N 0 3 331.460 2.471 40 0 EEABHN CO[C@@H]1COC[C@H]1n1cc(CN[C@@H]2CCCC23CCCCC3)nn1 ZINC000333566879 312167020 /nfs/dbraw/zinc/16/70/20/312167020.db2.gz OZJRPXIULGVIOY-BRWVUGGUSA-N 0 3 334.464 2.457 40 0 EEABHN CN(C)Cc1cc(C2CCN(C(=O)CC3(O)CCCCC3)CC2)n[nH]1 ZINC000019708948 463020693 /nfs/dbraw/zinc/02/06/93/463020693.db2.gz FZYOTYLWKNOSCG-UHFFFAOYSA-N 0 3 348.491 2.263 40 0 EEABHN O=C([C@H]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2O1)N1CCCCO1 ZINC000096066158 463164782 /nfs/dbraw/zinc/16/47/82/463164782.db2.gz YRGZIEYYNOFEII-RCCFBDPRSA-N 0 3 330.428 2.220 40 0 EEABHN CO[C@@H]1CCN(Cc2cc(C)on2)[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096108608 463176697 /nfs/dbraw/zinc/17/66/97/463176697.db2.gz JIIADUSYKOOZPV-RCCFBDPRSA-N 0 3 331.416 2.297 40 0 EEABHN Cc1cccc(COC[C@]23COC[C@H]2CN(Cc2ccccn2)C3)n1 ZINC000096108929 463177062 /nfs/dbraw/zinc/17/70/62/463177062.db2.gz XLGIGXFQFLKBOQ-XLIONFOSSA-N 0 3 339.439 2.450 40 0 EEABHN c1coc(CN2CC[C@]3(C2)COCCN(Cc2cccnc2)C3)c1 ZINC000096202132 463207660 /nfs/dbraw/zinc/20/76/60/463207660.db2.gz XDGZLEQTTYUZCF-LJQANCHMSA-N 0 3 327.428 2.399 40 0 EEABHN COc1ccc(CN2CC[C@]3(C2)C[C@@H](N2CCCC2=O)CCO3)cc1 ZINC000096209327 463212205 /nfs/dbraw/zinc/21/22/05/463212205.db2.gz SUUBZCRSKUIGPX-FXAWDEMLSA-N 0 3 344.455 2.441 40 0 EEABHN CN(Cc1ccccn1)[C@H]1CO[C@]2(CCN(Cc3ccncc3)C2)C1 ZINC000096219889 463218047 /nfs/dbraw/zinc/21/80/47/463218047.db2.gz NPCSWIDYDJIEDJ-WOJBJXKFSA-N 0 3 338.455 2.342 40 0 EEABHN CN1CCOC[C@@]2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000096228717 463222499 /nfs/dbraw/zinc/22/24/99/463222499.db2.gz YZDWTRRTOZNHMT-IBGZPJMESA-N 0 3 327.428 2.352 40 0 EEABHN CC(C)N(C)CC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000096408554 463241929 /nfs/dbraw/zinc/24/19/29/463241929.db2.gz LUDGILYGWQSUOQ-CYBMUJFWSA-N 0 3 341.402 2.323 40 0 EEABHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc2ncccc2c1 ZINC000096410748 463243983 /nfs/dbraw/zinc/24/39/83/463243983.db2.gz OZQKLQBCYYENHW-MRXNPFEDSA-N 0 3 340.427 2.164 40 0 EEABHN C[C@@H](CNC(=O)Nc1cccc2[nH]ccc21)CN1CCN(C)CC1 ZINC000096418703 463250773 /nfs/dbraw/zinc/25/07/73/463250773.db2.gz JFRWIFMTQCUPMW-AWEZNQCLSA-N 0 3 329.448 2.173 40 0 EEABHN CC(C)(CN[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)S(C)(=O)=O ZINC000096494402 463289011 /nfs/dbraw/zinc/28/90/11/463289011.db2.gz XSCPCLRMAVVEGC-LLVKDONJSA-N 0 3 348.871 2.471 40 0 EEABHN Cc1cc(N)cc([C@H]2CN(C(=O)c3cc(C(C)(C)C)n[nH]3)CCO2)n1 ZINC000257311471 463773727 /nfs/dbraw/zinc/77/37/27/463773727.db2.gz UJPLAQSUZTUXAO-OAHLLOKOSA-N 0 3 343.431 2.207 40 0 EEABHN COc1ccccc1C(=O)N1CC[C@@H](c2ncc(CN(C)C)[nH]2)C1 ZINC000257331372 463780667 /nfs/dbraw/zinc/78/06/67/463780667.db2.gz XSPAUOXRTTVOQJ-CYBMUJFWSA-N 0 3 328.416 2.110 40 0 EEABHN COc1ccc([C@H](C)NC[C@]2(O)CCOC2)c(Br)c1 ZINC000225549454 464171157 /nfs/dbraw/zinc/17/11/57/464171157.db2.gz FQNRDYRGJVLKIS-IINYFYTJSA-N 0 3 330.222 2.260 40 0 EEABHN CCN1CCN(C[C@H](O)CO[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000252243742 464954085 /nfs/dbraw/zinc/95/40/85/464954085.db2.gz KVOWRJFVDKLSCJ-CADBVGFASA-N 0 3 326.525 2.462 40 0 EEABHN COCCN1CCC[C@H]1CNC(=O)NCC1CCC(F)(F)CC1 ZINC000252500506 464972517 /nfs/dbraw/zinc/97/25/17/464972517.db2.gz SWZQPFFTCTUJNA-AWEZNQCLSA-N 0 3 333.423 2.222 40 0 EEABHN CN1CCN(CCNC(=O)NCc2ccc(C3CC3)cc2)CC1(C)C ZINC000252507945 464974138 /nfs/dbraw/zinc/97/41/38/464974138.db2.gz WXWHTZAJJWZESU-UHFFFAOYSA-N 0 3 344.503 2.389 40 0 EEABHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)Nc1ccc(F)cn1 ZINC000585140544 468988887 /nfs/dbraw/zinc/98/88/87/468988887.db2.gz HBDRTZYXQAZPIT-CQSZACIVSA-N 0 3 336.411 2.328 40 0 EEABHN COc1cc(C)ccc1CN1C[C@H](c2ccccc2)[C@@H](O)[C@H]1CO ZINC000585292543 469011535 /nfs/dbraw/zinc/01/15/35/469011535.db2.gz KJIWINZLWYAUHV-QWFCFKBJSA-N 0 3 327.424 2.325 40 0 EEABHN CCN(CC)[C@H](CNC(=O)Cn1c(C)csc1=O)c1ccccc1 ZINC000044896745 213664918 /nfs/dbraw/zinc/66/49/18/213664918.db2.gz RCTVLMKFSJVLJE-MRXNPFEDSA-N 0 3 347.484 2.418 40 0 EEABHN CNCC(=O)N1CCC[C@@H]1c1cncc(Oc2ccc(F)cc2)n1 ZINC000072384515 216185316 /nfs/dbraw/zinc/18/53/16/216185316.db2.gz HUHJRFHSKFRUKQ-OAHLLOKOSA-N 0 3 330.363 2.291 40 0 EEABHN CO[C@H](C)c1nsc(N2CC[C@H](OCCN3CCCCC3)C2)n1 ZINC000225750730 242017160 /nfs/dbraw/zinc/01/71/60/242017160.db2.gz HZUKKOYWHAIONJ-KGLIPLIRSA-N 0 3 340.493 2.327 40 0 EEABHN CC(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CCc3c[nH]nc3C2)cc1 ZINC000236780240 242355539 /nfs/dbraw/zinc/35/55/39/242355539.db2.gz RPOAOYGCQJJENH-RDJZCZTQSA-N 0 3 326.444 2.454 40 0 EEABHN Cc1nc[nH]c1CN1CCC(Cc2cnc(CN(C)C)cn2)CC1 ZINC000257234823 244226376 /nfs/dbraw/zinc/22/63/76/244226376.db2.gz GVGJNFVAOUDXQO-UHFFFAOYSA-N 0 3 328.464 2.024 40 0 EEABHN O=C(c1cccs1)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 ZINC000257267824 244368227 /nfs/dbraw/zinc/36/82/27/244368227.db2.gz MIXJVKHTWBKRPN-IBGZPJMESA-N 0 3 342.464 2.383 40 0 EEABHN CC(C)(CNC(=O)CCn1c2ccccc2oc1=O)N1CCCCC1 ZINC000019657491 212054723 /nfs/dbraw/zinc/05/47/23/212054723.db2.gz IWFBOKRGMLKLDE-UHFFFAOYSA-N 0 3 345.443 2.365 40 0 EEABHN Cc1nc2c(c(=O)[n-]1)CC[C@@H]1C[N@H+](Cc3cccc4nccnc34)C[C@H]21 ZINC000019576663 212045942 /nfs/dbraw/zinc/04/59/42/212045942.db2.gz GSWOEHVKSTWSFC-CJNGLKHVSA-N 0 3 347.422 2.183 40 0 EEABHN Cc1nc2c(c(=O)[n-]1)CC[C@@H]1C[N@@H+](Cc3cccc4nccnc34)C[C@H]21 ZINC000019576663 212045945 /nfs/dbraw/zinc/04/59/45/212045945.db2.gz GSWOEHVKSTWSFC-CJNGLKHVSA-N 0 3 347.422 2.183 40 0 EEABHN CC(C)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)CN ZINC000079392968 217219194 /nfs/dbraw/zinc/21/91/94/217219194.db2.gz PVKZFVDEZPDPJP-UHFFFAOYSA-N 0 3 347.459 2.231 40 0 EEABHN C[C@H](N)C(=O)N(C)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079393105 217219285 /nfs/dbraw/zinc/21/92/85/217219285.db2.gz RZYHMOHKUHSHAD-NUEKZKHPSA-N 0 3 333.432 2.030 40 0 EEABHN CCN(CC1CCN(C(=O)[C@H](C)N)CC1)C(=O)OCc1ccccc1 ZINC000079412915 217221877 /nfs/dbraw/zinc/22/18/77/217221877.db2.gz ADTUBXKEEPWEGI-HNNXBMFYSA-N 0 3 347.459 2.231 40 0 EEABHN CC[C@@H](NC(=O)C(C)S(C)(=O)=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000095396403 218328283 /nfs/dbraw/zinc/32/82/83/218328283.db2.gz LXNAXXBGOBJLIM-SMDDNHRTSA-N 0 3 339.457 2.401 40 0 EEABHN Cc1ccc(C2(CNC(=O)N(C)CCN(C)C)CCOCC2)cc1 ZINC000095406314 218342625 /nfs/dbraw/zinc/34/26/25/218342625.db2.gz ZHSVNEIVUVFTJB-UHFFFAOYSA-N 0 3 333.476 2.246 40 0 EEABHN Cc1nc(N2CCOCC2)ccc1NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000095429621 218372431 /nfs/dbraw/zinc/37/24/31/218372431.db2.gz HHTKKTCHXFIKJL-IJEWVQPXSA-N 0 3 346.475 2.426 40 0 EEABHN CNC(=O)NC(=O)CN[C@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000097373955 277003998 /nfs/dbraw/zinc/00/39/98/277003998.db2.gz LRQKCANNNKOXDS-VHSXEESVSA-N 0 3 331.338 2.243 40 0 EEABHN CC[C@H](CNC(=O)N1CC[C@H]([C@@H](C)O)C1)N1CCc2ccccc2C1 ZINC000097372695 323322438 /nfs/dbraw/zinc/32/24/38/323322438.db2.gz QBKGBYZNRZJGDB-HHXXYDBFSA-N 0 3 345.487 2.236 40 0 EEABHN OC[C@@H](NC1CCC2(CC1)OCCO2)c1cc(F)c(F)c(F)c1 ZINC000156913053 463080566 /nfs/dbraw/zinc/08/05/66/463080566.db2.gz PBEPLLNKJYRVLA-CQSZACIVSA-N 0 3 331.334 2.413 40 0 EEABHN COc1ccc([C@@H](N)c2n[nH]c(-c3ccc(O)cc3)n2)cc1OC ZINC000095533817 463107402 /nfs/dbraw/zinc/10/74/02/463107402.db2.gz UBZMFIGWGWFSLY-OAHLLOKOSA-N 0 3 326.356 2.243 40 0 EEABHN CN1CCN([C@@H]2COC3(C2)CCN(Cc2ccc(F)cc2)CC3)CC1 ZINC000096048847 463153176 /nfs/dbraw/zinc/15/31/76/463153176.db2.gz DIUUISAIHRPCCU-IBGZPJMESA-N 0 3 347.478 2.197 40 0 EEABHN O=C(NCC1CC1)[C@@H]1CCC2(CCN(Cc3ccccn3)CC2)O1 ZINC000096061179 463161596 /nfs/dbraw/zinc/16/15/96/463161596.db2.gz FWAUYIFPYSHIJY-KRWDZBQOSA-N 0 3 329.444 2.121 40 0 EEABHN Cn1cc(CN2CCC3(CO[C@H](COc4ccccn4)C3)CC2)cn1 ZINC000096106199 463174183 /nfs/dbraw/zinc/17/41/83/463174183.db2.gz MSEAHTOLOPOJKQ-KRWDZBQOSA-N 0 3 342.443 2.265 40 0 EEABHN COc1ncccc1CN1C[C@@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC000096161659 463192240 /nfs/dbraw/zinc/19/22/40/463192240.db2.gz KSQDICUTQZVYKL-GASCZTMLSA-N 0 3 330.457 2.111 40 0 EEABHN O=C(N1CCCC1)N1CCOC[C@@]2(CCN(Cc3cccs3)C2)C1 ZINC000096202197 463206996 /nfs/dbraw/zinc/20/69/96/463206996.db2.gz FSTWVZPVNNQWOB-GOSISDBHSA-N 0 3 349.500 2.488 40 0 EEABHN O=C(C[C@]12COC[C@H]1CN(Cc1ccsc1)C2)NCc1ccco1 ZINC000096207685 463209875 /nfs/dbraw/zinc/20/98/75/463209875.db2.gz OCVNSVMJWDAMGN-QAPCUYQASA-N 0 3 346.452 2.496 40 0 EEABHN O=C(CC1CCOCC1)NCc1ccccc1CN1CCC(O)CC1 ZINC000096449866 463271843 /nfs/dbraw/zinc/27/18/43/463271843.db2.gz IOLHGXNBQGCNNJ-UHFFFAOYSA-N 0 3 346.471 2.076 40 0 EEABHN CNS(=O)(=O)c1cccc([C@@H](C)NCC2(O)CCC(C)CC2)c1 ZINC000096491466 463287217 /nfs/dbraw/zinc/28/72/17/463287217.db2.gz KFNYBLRCJVPCDB-XOYHFGRZSA-N 0 3 340.489 2.187 40 0 EEABHN Cc1ccc(Cl)c(OC[C@@H](O)CN(C)C2CCS(=O)CC2)c1 ZINC000097373572 463355305 /nfs/dbraw/zinc/35/53/05/463355305.db2.gz BMDXRMOAWFCEKO-ABTIHDLSSA-N 0 3 345.892 2.231 40 0 EEABHN CC(C)Oc1ccc([C@H]2CNCCN2CC(=O)N2CCCC2)cc1 ZINC000257314908 463775630 /nfs/dbraw/zinc/77/56/30/463775630.db2.gz UZCHYIPFZGQLTI-GOSISDBHSA-N 0 3 331.460 2.043 40 0 EEABHN C[C@@H](CCc1cccc(F)c1)N1CCCN(CC(=O)N(C)C)CC1 ZINC000195558396 464075987 /nfs/dbraw/zinc/07/59/87/464075987.db2.gz BNTBEUJVJYLXKP-INIZCTEOSA-N 0 3 335.467 2.243 40 0 EEABHN O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CCCC[C@H]1O ZINC000188362643 464263434 /nfs/dbraw/zinc/26/34/34/464263434.db2.gz XXRIVNODLAGWQR-QZTJIDSGSA-N 0 3 331.460 2.038 40 0 EEABHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000245281298 464470330 /nfs/dbraw/zinc/47/03/30/464470330.db2.gz ANDHVPAPSQMAGP-WMLDXEAASA-N 0 3 342.447 2.130 40 0 EEABHN CN(C)C[C@@H]1CN(C(=O)c2ccc3ncccc3c2)Cc2cncn21 ZINC000248148929 464733979 /nfs/dbraw/zinc/73/39/79/464733979.db2.gz WSFWWWXTJYIBJN-QGZVFWFLSA-N 0 3 335.411 2.190 40 0 EEABHN COC[C@]1(CN)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252515644 464978193 /nfs/dbraw/zinc/97/81/93/464978193.db2.gz MJFGSCNYKZIVNU-RCCFBDPRSA-N 0 3 349.427 2.357 40 0 EEABHN NCC(=O)N1CCC[C@@H](c2cncc(Oc3cccc(F)c3)n2)C1 ZINC000072363202 216169881 /nfs/dbraw/zinc/16/98/81/216169881.db2.gz GMUBJLSEOBHHDT-GFCCVEGCSA-N 0 3 330.363 2.073 40 0 EEABHN CCN(C)CCNC(=O)c1cc(Br)c(OC)c(OC)c1 ZINC000225810503 242048575 /nfs/dbraw/zinc/04/85/75/242048575.db2.gz SRCBJPJPBXFPMR-UHFFFAOYSA-N 0 3 345.237 2.148 40 0 EEABHN Cc1ncsc1CN1CCC[C@H](Cc2cc(C(N)=O)nc(C)n2)C1 ZINC000257223473 244190592 /nfs/dbraw/zinc/19/05/92/244190592.db2.gz DXNAQHAZDAGQKV-CYBMUJFWSA-N 0 3 345.472 2.104 40 0 EEABHN CN1CC[C@H](c2ncc3c(n2)CCN(C(=O)C2CCCCC2)C3)C1 ZINC000019587929 212048068 /nfs/dbraw/zinc/04/80/68/212048068.db2.gz BXAXOQYSGUFSTG-HNNXBMFYSA-N 0 3 328.460 2.361 40 0 EEABHN COCCn1cnc2cc(C(=O)NCCN3CCC(C)CC3)ccc21 ZINC000019496914 212032520 /nfs/dbraw/zinc/03/25/20/212032520.db2.gz GJDOQOCCVMMSAW-UHFFFAOYSA-N 0 3 344.459 2.144 40 0 EEABHN CC(C)[C@H](N)C(=O)N(C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000079391482 217218980 /nfs/dbraw/zinc/21/89/80/217218980.db2.gz OVVCBTFXRWWULW-CABCVRRESA-N 0 3 339.480 2.360 40 0 EEABHN CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC000079410121 217222556 /nfs/dbraw/zinc/22/25/56/217222556.db2.gz QQZPIXIVQAOUCY-RDBSUJKOSA-N 0 3 327.469 2.264 40 0 EEABHN C[C@@H](Cc1ccc2c(c1)OCO2)CN(CCO)Cc1cccnc1 ZINC000012118043 211298073 /nfs/dbraw/zinc/29/80/73/211298073.db2.gz PGLQUMAPMRDIPV-HNNXBMFYSA-N 0 3 328.412 2.483 40 0 EEABHN C[C@H](Cc1ccc2c(c1)OCO2)CN(CCO)Cc1cccnc1 ZINC000012118042 211297140 /nfs/dbraw/zinc/29/71/40/211297140.db2.gz PGLQUMAPMRDIPV-OAHLLOKOSA-N 0 3 328.412 2.483 40 0 EEABHN O=C(c1cccs1)N1CC[C@H]2[C@@H]1CCC(=O)N2CCN1CCCC1 ZINC000096186301 218652850 /nfs/dbraw/zinc/65/28/50/218652850.db2.gz WJTPPZROMJPWGG-GJZGRUSLSA-N 0 3 347.484 2.049 40 0 EEABHN CCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)[C@@H](N)C(C)C ZINC000079391424 285083226 /nfs/dbraw/zinc/08/32/26/285083226.db2.gz SMJFDNUTXLFZGX-KGLIPLIRSA-N 0 3 327.469 2.218 40 0 EEABHN Cc1nc2ccccc2n1CCNC(=O)[C@H](C1CC1)N1CCCC1 ZINC000097376112 219019110 /nfs/dbraw/zinc/01/91/10/219019110.db2.gz SXOHCPOZPLNKRR-SFHVURJKSA-N 0 3 326.444 2.335 40 0 EEABHN CC[C@@H]1c2cccn2CCN1C(=O)c1ccnc(OCCN(C)C)c1 ZINC000096500652 276530737 /nfs/dbraw/zinc/53/07/37/276530737.db2.gz MDZDKYLZHKTJIT-MRXNPFEDSA-N 0 3 342.443 2.431 40 0 EEABHN CC(=O)N[C@@H]1CCCN(C(=O)CN[C@H](c2ccccc2C)C(C)C)C1 ZINC000195549868 277044995 /nfs/dbraw/zinc/04/49/95/277044995.db2.gz BVQLWDOKTILVAE-XLIONFOSSA-N 0 3 345.487 2.409 40 0 EEABHN CCC[C@H](N)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000097228780 323321462 /nfs/dbraw/zinc/32/14/62/323321462.db2.gz BGAJEVBLNLFJKT-KBPBESRZSA-N 0 3 341.249 2.476 40 0 EEABHN COCCN1CCC(NC(=O)c2ccccc2Br)CC1 ZINC000085467923 462549371 /nfs/dbraw/zinc/54/93/71/462549371.db2.gz GEZAVWSFUPKLNS-UHFFFAOYSA-N 0 3 341.249 2.290 40 0 EEABHN C[C@@H]1CN(C)CCN1CC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000085468112 462549511 /nfs/dbraw/zinc/54/95/11/462549511.db2.gz OMOVMTNIANGDQH-OAHLLOKOSA-N 0 3 333.451 2.314 40 0 EEABHN Cc1cc(C)c2cc(CNCCCN3CCCC3=O)c(=O)[nH]c2c1 ZINC000013999137 462907565 /nfs/dbraw/zinc/90/75/65/462907565.db2.gz MCYRWHJMCMUQLK-UHFFFAOYSA-N 0 3 327.428 2.247 40 0 EEABHN C[C@H](C(=O)N1CCC(c2nn(C)c3ncccc23)CC1)N1CCCC1 ZINC000019077947 463012650 /nfs/dbraw/zinc/01/26/50/463012650.db2.gz QEFHTVSSCBPPMX-CQSZACIVSA-N 0 3 341.459 2.159 40 0 EEABHN C[C@H](CNC(=O)c1cnc(N2CCCCC2)nc1)N1CCC(C)CC1 ZINC000019496793 463017031 /nfs/dbraw/zinc/01/70/31/463017031.db2.gz SRPANXLRVBTYPH-MRXNPFEDSA-N 0 3 345.491 2.317 40 0 EEABHN O=C(NCc1ccccn1)[C@@]12CCO[C@@H]1CCN(C1CCCC1)C2 ZINC000096038806 463143846 /nfs/dbraw/zinc/14/38/46/463143846.db2.gz HWPWOAQTTSCMJG-IEBWSBKVSA-N 0 3 329.444 2.121 40 0 EEABHN Cc1ccc(CN2CC[C@]3(CC(=O)N(c4cncnc4)C3)C2)s1 ZINC000096050831 463155043 /nfs/dbraw/zinc/15/50/43/463155043.db2.gz PYIZRIDTGHORKW-KRWDZBQOSA-N 0 3 328.441 2.476 40 0 EEABHN O=C(N[C@H]1CCC12CCN(Cc1ccccn1)CC2)c1cnccn1 ZINC000096051498 463155270 /nfs/dbraw/zinc/15/52/70/463155270.db2.gz IWBWEIVQPNZDGS-KRWDZBQOSA-N 0 3 337.427 2.046 40 0 EEABHN Cc1ccc(CN2C[C@@H](C(=O)NCC3CC3)C3(C2)CCOCC3)o1 ZINC000096052132 463156762 /nfs/dbraw/zinc/15/67/62/463156762.db2.gz RJWXLZHLDPCKHI-KRWDZBQOSA-N 0 3 332.444 2.343 40 0 EEABHN Cn1cc([C@@H]2CC(=O)NC23CCN(Cc2cccs2)CC3)cn1 ZINC000096061484 463161233 /nfs/dbraw/zinc/16/12/33/463161233.db2.gz XRESFBJDCWMWOA-HNNXBMFYSA-N 0 3 330.457 2.120 40 0 EEABHN O=c1ccc2c(n1Cc1cccnc1)CCN(Cc1ccco1)CC2 ZINC000096067785 463163981 /nfs/dbraw/zinc/16/39/81/463163981.db2.gz BHWAQXKZLKKOPX-UHFFFAOYSA-N 0 3 335.407 2.485 40 0 EEABHN O=C([C@H]1CO[C@H]2CCN(Cc3ccco3)C[C@H]2C1)N1CCCCO1 ZINC000096066052 463164412 /nfs/dbraw/zinc/16/44/12/463164412.db2.gz NATYRILLQRYXPL-INMHGKMJSA-N 0 3 334.416 2.061 40 0 EEABHN O=C(c1cscn1)N1CC[C@]2(CCN(Cc3cccnc3)C2)C1 ZINC000096071122 463166096 /nfs/dbraw/zinc/16/60/96/463166096.db2.gz AWEUKIADDQTBOS-KRWDZBQOSA-N 0 3 328.441 2.276 40 0 EEABHN Cc1nc[nH]c1CN1CCC2(C[C@H](OCc3cccnc3)CO2)CC1 ZINC000096073162 463166878 /nfs/dbraw/zinc/16/68/78/463166878.db2.gz ZBTBAMNJVHAGCJ-KRWDZBQOSA-N 0 3 342.443 2.453 40 0 EEABHN CC(=O)N1Cc2ccccc2C2(CCN(Cc3cnn(C)c3)CC2)C1 ZINC000096079609 463169608 /nfs/dbraw/zinc/16/96/08/463169608.db2.gz SPNCETOQNXFLPS-UHFFFAOYSA-N 0 3 338.455 2.316 40 0 EEABHN Cn1cc(CN2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)cn1 ZINC000096200545 463205515 /nfs/dbraw/zinc/20/55/15/463205515.db2.gz CIJNVRZIXTZIJX-OALUTQOASA-N 0 3 326.444 2.427 40 0 EEABHN COCCOC1CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)CC1 ZINC000096408536 463241818 /nfs/dbraw/zinc/24/18/18/463241818.db2.gz UIZDBEWNLCZIGW-QGZVFWFLSA-N 0 3 326.481 2.151 40 0 EEABHN O=C(NC1CCCCC1)C1CCN(CCOC[C@H]2CCCO2)CC1 ZINC000096421081 463252073 /nfs/dbraw/zinc/25/20/73/463252073.db2.gz BJMNAHZLEXESLH-GOSISDBHSA-N 0 3 338.492 2.343 40 0 EEABHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@H](Cc2ccccc2)C1 ZINC000096439874 463266280 /nfs/dbraw/zinc/26/62/80/463266280.db2.gz QHZRPLKXQAVOFB-GUDVDZBRSA-N 0 3 343.471 2.124 40 0 EEABHN COC(=O)CC1(NC(=O)Cc2ccccc2Cl)CCN(C)CC1 ZINC000096451402 463272838 /nfs/dbraw/zinc/27/28/38/463272838.db2.gz JQKJELXMAFNXJT-UHFFFAOYSA-N 0 3 338.835 2.026 40 0 EEABHN CC1CCN(C[C@@H](O)COc2cccc(N3CCCC3=O)c2)CC1 ZINC000096484787 463283642 /nfs/dbraw/zinc/28/36/42/463283642.db2.gz PEGFLEDPIHJZOU-QGZVFWFLSA-N 0 3 332.444 2.285 40 0 EEABHN CN1CCN(c2ncc(CN(Cc3ccccc3)C3CC3)cn2)CC1 ZINC000096489602 463285557 /nfs/dbraw/zinc/28/55/57/463285557.db2.gz FAPBSMLAUZVTKA-UHFFFAOYSA-N 0 3 337.471 2.393 40 0 EEABHN CC(=O)N1CCc2cccc(NC(=O)N(C)[C@H]3CCN(C)C[C@H]3C)c21 ZINC000097228187 463351329 /nfs/dbraw/zinc/35/13/29/463351329.db2.gz ZWXOCUNDQUYIQS-DYVFJYSZSA-N 0 3 344.459 2.400 40 0 EEABHN CS(=O)(=O)NC1CC2(C1)CCN(Cc1cncc(Cl)c1)CC2 ZINC000108524578 463609543 /nfs/dbraw/zinc/60/95/43/463609543.db2.gz QUJIYLBCJZFZMG-UHFFFAOYSA-N 0 3 343.880 2.029 40 0 EEABHN COCCNC(=O)[C@H]1CCC[C@]12CCN(Cc1scnc1C)C2 ZINC000108527071 463609609 /nfs/dbraw/zinc/60/96/09/463609609.db2.gz BWRHIWCJPDHNHS-RHSMWYFYSA-N 0 3 337.489 2.206 40 0 EEABHN CNc1cc(C)nc([C@H]2CN(C(=O)CN(C)C3CCCC3)CCO2)c1 ZINC000257332812 463781100 /nfs/dbraw/zinc/78/11/00/463781100.db2.gz XYUCVWVOIGMSLT-GOSISDBHSA-N 0 3 346.475 2.206 40 0 EEABHN CNC(=O)c1cccc(C[C@@H]2COCCN(Cc3cccs3)C2)n1 ZINC000257338282 463784979 /nfs/dbraw/zinc/78/49/79/463784979.db2.gz YWSPCFQGSQVSIS-AWEZNQCLSA-N 0 3 345.468 2.194 40 0 EEABHN CCN1CCC[C@H](NC(=O)N2CCO[C@@H](c3nc(C)cs3)C2)C1 ZINC000249301641 464860175 /nfs/dbraw/zinc/86/01/75/464860175.db2.gz SENNSVGLOZDSTG-UONOGXRCSA-N 0 3 338.477 2.019 40 0 EEABHN C[C@@H]1COCCN1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000252484832 464962544 /nfs/dbraw/zinc/96/25/44/464962544.db2.gz GJEGXYIHGJVOLA-OAHLLOKOSA-N 0 3 347.459 2.090 40 0 EEABHN c1nc2c(N3CCN(CC4CC4)CC3)nccn2c1-c1ccncc1 ZINC000306129773 466489935 /nfs/dbraw/zinc/48/99/35/466489935.db2.gz IMKSZLZTNOWCDE-UHFFFAOYSA-N 0 3 334.427 2.323 40 0 EEABHN CC(=O)N1CCC(N2CC[C@H](O)[C@H](Cc3ccccc3F)C2)CC1 ZINC000585275521 468999316 /nfs/dbraw/zinc/99/93/16/468999316.db2.gz CFRASTRGVCWVHT-APWZRJJASA-N 0 3 334.435 2.062 40 0 EEABHN CC(=O)N1CCN(C2CCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282413 469007666 /nfs/dbraw/zinc/00/76/66/469007666.db2.gz JPMBSZYXAZDXAI-HXUWFJFHSA-N 0 3 346.471 2.130 40 0 EEABHN CN(Cc1cncnc1)[C@@H]1CN(C2CCCC2)C[C@@H]2CCCO[C@H]12 ZINC000097953524 219063688 /nfs/dbraw/zinc/06/36/88/219063688.db2.gz WSFKJMHTFXIVDB-UHOSZYNNSA-N 0 3 330.476 2.330 40 0 EEABHN COc1ccc([C@H](CN)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000038541241 213213311 /nfs/dbraw/zinc/21/33/11/213213311.db2.gz ADROAGHLHUGPGF-ZBFHGGJFSA-N 0 3 335.448 2.294 40 0 EEABHN CNCC(=O)N1CCC[C@H](c2nccnc2Oc2cccc(F)c2)C1 ZINC000072363291 216170328 /nfs/dbraw/zinc/17/03/28/216170328.db2.gz RRWPDHSRHCYDNP-ZDUSSCGKSA-N 0 3 344.390 2.333 40 0 EEABHN CNc1cc(C)nc([C@H]2CCN(C(=O)CN3CCCCCC3=O)C2)c1 ZINC000257268947 244369970 /nfs/dbraw/zinc/36/99/70/244369970.db2.gz MNXALCMAPXUYOB-HNNXBMFYSA-N 0 3 344.459 2.150 40 0 EEABHN COc1cc([C@H](CN)NC(=O)OC(C)(C)C)cc(OC)c1OC ZINC000019682542 212054811 /nfs/dbraw/zinc/05/48/11/212054811.db2.gz ONWFLYXEMSFXON-NSHDSACASA-N 0 3 326.393 2.237 40 0 EEABHN CCCn1c2ccccc2nc1CN1C[C@H]2C[C@@H](O)CN2C[C@H]1C ZINC000019526013 212037512 /nfs/dbraw/zinc/03/75/12/212037512.db2.gz FEJRJQUCGORUBE-BZUAXINKSA-N 0 3 328.460 2.086 40 0 EEABHN C[NH+](C)CC(C)(C)CNc1nc(Cc2ccccc2F)cc(=O)[n-]1 ZINC000019085011 212000061 /nfs/dbraw/zinc/00/00/61/212000061.db2.gz DHSRCKDVLABTQG-UHFFFAOYSA-N 0 3 332.423 2.500 40 0 EEABHN CC(=O)N1CSC[C@H]1C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000078771885 217116894 /nfs/dbraw/zinc/11/68/94/217116894.db2.gz XFTITTLWGWGEJK-BBRMVZONSA-N 0 3 349.500 2.153 40 0 EEABHN Cc1cc(C(=O)NCC2(N[C@@H](C)c3ccccc3)CCOCC2)[nH]n1 ZINC000079096425 217191493 /nfs/dbraw/zinc/19/14/93/217191493.db2.gz HCYAZMPOFVUYAG-HNNXBMFYSA-N 0 3 342.443 2.348 40 0 EEABHN CS(=O)(=O)N1CCC(N[C@@H](c2cc(F)ccc2F)C2CC2)CC1 ZINC000095423496 218366263 /nfs/dbraw/zinc/36/62/63/218366263.db2.gz SRARXCRLTOONTE-MRXNPFEDSA-N 0 3 344.427 2.430 40 0 EEABHN CN1CCC[C@@H](CNS(=O)(=O)Cc2ccon2)[C@H]1c1ccccc1 ZINC000245289814 277053852 /nfs/dbraw/zinc/05/38/52/277053852.db2.gz FHHCXUCJOCUOQQ-DOTOQJQBSA-N 0 3 349.456 2.177 40 0 EEABHN CCN(C[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)OC(C)(C)C ZINC000079410145 279219461 /nfs/dbraw/zinc/21/94/61/279219461.db2.gz YPGGLGFDBRYUPH-KBPBESRZSA-N 0 3 327.469 2.218 40 0 EEABHN CC(C)COc1cncc(N2CCN(CC3CCOCC3)CC2)n1 ZINC000086184819 323320380 /nfs/dbraw/zinc/32/03/80/323320380.db2.gz AWVFQMKEONJLAD-UHFFFAOYSA-N 0 3 334.464 2.060 40 0 EEABHN C[C@H](O)[C@H]1CCN(C(=O)NC[C@H]2CCCN2CCc2ccccc2)C1 ZINC000252487343 464965728 /nfs/dbraw/zinc/96/57/28/464965728.db2.gz VRGRNVRRNQHCPH-YTQUADARSA-N 0 3 345.487 2.106 40 0 EEABHN O=C(Nc1cnn(CCN2CCCCC2)c1)[C@H](O)c1ccccc1 ZINC000089432987 462681578 /nfs/dbraw/zinc/68/15/78/462681578.db2.gz KJJIACISDFXELY-QGZVFWFLSA-N 0 3 328.416 2.041 40 0 EEABHN CN(C)C[C@H]1O[C@H](Cc2cc(-c3cccc(O)c3)on2)CC[C@@H]1O ZINC000077263222 462960960 /nfs/dbraw/zinc/96/09/60/462960960.db2.gz NHZXAWYHZAQHLG-XYJFISCASA-N 0 3 332.400 2.060 40 0 biogenic,in-vitro EEABHN CC(=O)N1CCC[C@@H](c2nnc3n2CCN(C2CCCCC2)CC3)C1 ZINC000019752255 463021053 /nfs/dbraw/zinc/02/10/53/463021053.db2.gz LOGAAIZTLMMEKX-MRXNPFEDSA-N 0 3 345.491 2.195 40 0 EEABHN CNCc1cc(N(C)C)nc([C@@H]2CCCN2C(=O)C2CCCC2)n1 ZINC000019760656 463021336 /nfs/dbraw/zinc/02/13/36/463021336.db2.gz YICWUZAUPXPCJZ-HNNXBMFYSA-N 0 3 331.464 2.116 40 0 EEABHN Cc1nc(CN2C[C@@]3(CCN(Cc4ccccn4)C3)CC2=O)cs1 ZINC000096050914 463154966 /nfs/dbraw/zinc/15/49/66/463154966.db2.gz WCTUPYQNORVCLD-SFHVURJKSA-N 0 3 342.468 2.471 40 0 EEABHN Cc1ccc(CN2C[C@@H]3CCN(Cc4cccnc4)C(=O)[C@H]3C2)o1 ZINC000096054634 463156592 /nfs/dbraw/zinc/15/65/92/463156592.db2.gz ZTUCXGXTKDNTTO-WMZOPIPTSA-N 0 3 325.412 2.464 40 0 EEABHN COc1ccc(CN2C[C@@H]3CN(C(=O)c4cscn4)C[C@@H]3C2)cc1 ZINC000096053937 463157016 /nfs/dbraw/zinc/15/70/16/463157016.db2.gz DBOWIUPJJSLMGW-GASCZTMLSA-N 0 3 343.452 2.356 40 0 EEABHN O=C([C@H]1CCC2(CCN(Cc3ccsc3)CC2)O1)N1CCCO1 ZINC000096111136 463179540 /nfs/dbraw/zinc/17/95/40/463179540.db2.gz SGDSIHHHZFSZOF-OAHLLOKOSA-N 0 3 336.457 2.426 40 0 EEABHN Cc1cccc(CN2CC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)n1 ZINC000096159411 463190384 /nfs/dbraw/zinc/19/03/84/463190384.db2.gz OAFIIGAEIUDXRT-HXUWFJFHSA-N 0 3 336.439 2.410 40 0 EEABHN CC(=O)N1[C@@H](Cn2cccn2)C[C@@H]2CN(Cc3ccc(C)o3)CC[C@@H]21 ZINC000096185698 463197035 /nfs/dbraw/zinc/19/70/35/463197035.db2.gz ZSTWBTULCFEWOA-LMMKCTJWSA-N 0 3 342.443 2.296 40 0 EEABHN c1cnc(NCc2cncc3c2CCN(CC2CCOCC2)C3)nc1 ZINC000096189539 463201598 /nfs/dbraw/zinc/20/15/98/463201598.db2.gz RWZKSBFZEHLGTG-UHFFFAOYSA-N 0 3 339.443 2.268 40 0 EEABHN Cn1cc(CN2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)cn1 ZINC000096239049 463224332 /nfs/dbraw/zinc/22/43/32/463224332.db2.gz YBVAEPKYCRHYMW-SFHVURJKSA-N 0 3 346.381 2.327 40 0 EEABHN CNC(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2cn(C)c3ccccc23)O1 ZINC000107207150 463560894 /nfs/dbraw/zinc/56/08/94/463560894.db2.gz DVXOOSHTSWYOKT-KURKYZTESA-N 0 3 327.428 2.046 40 0 EEABHN Cn1nccc1CN1CC[C@]2(CCC[C@H]2C(=O)NCc2ccco2)C1 ZINC000108527079 463610185 /nfs/dbraw/zinc/61/01/85/463610185.db2.gz QAMIPVWGAGJICE-PKOBYXMFSA-N 0 3 342.443 2.322 40 0 EEABHN CN(C)c1cc(C[C@H]2COCCN(Cc3cccs3)C2)ncn1 ZINC000257309105 463772567 /nfs/dbraw/zinc/77/25/67/463772567.db2.gz TZNZXIYHUNXESO-CQSZACIVSA-N 0 3 332.473 2.295 40 0 EEABHN Cc1nc(NC(=O)N2CCN3CCC[C@H]3C2)ccc1Br ZINC000185578018 463845903 /nfs/dbraw/zinc/84/59/03/463845903.db2.gz GIZPIFSPJQWDTL-NSHDSACASA-N 0 3 339.237 2.464 40 0 EEABHN Cc1nc(NC(=O)N2CCN3CCC[C@@H]3C2)ccc1Br ZINC000185578004 463846204 /nfs/dbraw/zinc/84/62/04/463846204.db2.gz GIZPIFSPJQWDTL-LLVKDONJSA-N 0 3 339.237 2.464 40 0 EEABHN CCCc1cnc(NC(=O)NCCN2CCN(C)C(C)(C)C2)s1 ZINC000281665923 464540478 /nfs/dbraw/zinc/54/04/78/464540478.db2.gz DJAGZEOBLNNWOY-UHFFFAOYSA-N 0 3 339.509 2.243 40 0 EEABHN CN(C)C[C@H]1CN(C(=O)c2ccc3ccccc3n2)Cc2ccnn21 ZINC000248143246 464733672 /nfs/dbraw/zinc/73/36/72/464733672.db2.gz UYOSICSDJNNISD-INIZCTEOSA-N 0 3 335.411 2.190 40 0 EEABHN CN(C)C[C@H]1CN(C(=O)c2ccc3ncccc3c2)Cc2cncn21 ZINC000248148924 464734377 /nfs/dbraw/zinc/73/43/77/464734377.db2.gz WSFWWWXTJYIBJN-KRWDZBQOSA-N 0 3 335.411 2.190 40 0 EEABHN COC(=O)Cc1ccnc(N[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000252490550 464967046 /nfs/dbraw/zinc/96/70/46/464967046.db2.gz KWURGENBRXXILN-KRWDZBQOSA-N 0 3 340.427 2.269 40 0 EEABHN CCCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2CC)cc1 ZINC000192679897 464976093 /nfs/dbraw/zinc/97/60/93/464976093.db2.gz JPEBDYVOYUPDNS-HNNXBMFYSA-N 0 3 333.432 2.014 40 0 EEABHN COCC(=O)N[C@H]1[C@H](c2ccccc2)N(CCC(C)C)CC[C@@]1(C)O ZINC000514289188 467941941 /nfs/dbraw/zinc/94/19/41/467941941.db2.gz FWFPSFPTCYWMQB-SLFFLAALSA-N 0 3 348.487 2.362 40 0 biogenic,in-vitro EEABHN Cc1[nH]c2ccc(C(=O)N3C[C@@H](O)[C@H](N4CCCC4)C3)cc2c1C ZINC000585182252 468996198 /nfs/dbraw/zinc/99/61/98/468996198.db2.gz QYGMSNGMNYGOQE-QZTJIDSGSA-N 0 3 327.428 2.066 40 0 EEABHN O[C@]1(COc2ccc(F)c(F)c2)COCCN(C2CCCC2)C1 ZINC000585281330 469007545 /nfs/dbraw/zinc/00/75/45/469007545.db2.gz IKFDJRGFDLDOAA-KRWDZBQOSA-N 0 3 327.371 2.350 40 0 EEABHN O[C@@]1(COc2cc(F)cc(F)c2)COCCN(C2CCCC2)C1 ZINC000585283635 469007796 /nfs/dbraw/zinc/00/77/96/469007796.db2.gz SRYFKKBUAVNOJQ-QGZVFWFLSA-N 0 3 327.371 2.350 40 0 EEABHN CCCn1ncc(CN2C[C@H](c3ccc(F)cc3)[C@@H](O)[C@H]2CO)c1C ZINC000585292343 469012071 /nfs/dbraw/zinc/01/20/71/469012071.db2.gz HSVKJRHWPHXJOB-GUDVDZBRSA-N 0 3 347.434 2.062 40 0 EEABHN CN1CCC(c2cncc(C(=O)N3CCc4ccccc4C3)n2)CC1 ZINC000257212689 536345832 /nfs/dbraw/zinc/34/58/32/536345832.db2.gz CEOGTYVWDCMOKX-UHFFFAOYSA-N 0 3 336.439 2.484 40 0 EEABHN