smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c(OC)c1 ZINC000019359678 202005631 /nfs/dbraw/zinc/00/56/31/202005631.db2.gz GYEMFVMJQAHSIM-AOIWGVFYSA-N 0 3 342.483 3.034 40 0 EGABHN COc1ccc(CN2CC[C@H](c3nc(-c4cccnc4)no3)C2)cc1 ZINC000019554923 202011805 /nfs/dbraw/zinc/01/18/05/202011805.db2.gz DIPGXDIVUVFCST-INIZCTEOSA-N 0 3 336.395 3.130 40 0 EGABHN CN(CCc1ccccn1)Cc1c2cccnc2[nH]c1[C@H]1CCCO1 ZINC000019586256 202013653 /nfs/dbraw/zinc/01/36/53/202013653.db2.gz SJMGRIDCMXNAMA-GOSISDBHSA-N 0 3 336.439 3.484 40 0 EGABHN CC(=O)NCC[C@H]1CCCCN1Cc1cn(C)c2ccc(F)cc12 ZINC000019749146 202019363 /nfs/dbraw/zinc/01/93/63/202019363.db2.gz XGVWBVCNEGTPHX-QGZVFWFLSA-N 0 3 331.435 3.198 40 0 EGABHN CN(C)CCOc1ccc(NC(=O)Nc2cccnc2Cl)cc1 ZINC000072928785 202368826 /nfs/dbraw/zinc/36/88/26/202368826.db2.gz OATJOZMPIOOBJH-UHFFFAOYSA-N 0 3 334.807 3.319 40 0 EGABHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccccn2)CC1 ZINC000078553355 202395892 /nfs/dbraw/zinc/39/58/92/202395892.db2.gz RREDJWFVTHHMPD-MRXNPFEDSA-N 0 3 342.462 3.213 40 0 EGABHN CN(CCSc1ccc2nnc(C(F)F)n2n1)Cc1ccccc1 ZINC000193744223 240291493 /nfs/dbraw/zinc/29/14/93/240291493.db2.gz QXUQQTRKPFTBKG-UHFFFAOYSA-N 0 3 349.410 3.286 40 0 EGABHN Cc1ccc(CC(=O)NCCCN2CCc3ccccc3C2)c(C)c1 ZINC000225790400 242038583 /nfs/dbraw/zinc/03/85/83/242038583.db2.gz BKRVNJVILITTIK-UHFFFAOYSA-N 0 3 336.479 3.411 40 0 EGABHN Cc1nn(C)c2nc([C@]3(C)CCCN(Cc4cccnc4)C3)ccc12 ZINC000257204928 244130110 /nfs/dbraw/zinc/13/01/10/244130110.db2.gz AWWZLHBDLPFOLV-HXUWFJFHSA-N 0 3 335.455 3.225 40 0 EGABHN Cc1cccc(N2CCC[C@@H](N(C)C(=O)c3[nH]nc4ccccc43)C2)n1 ZINC000257210411 244149112 /nfs/dbraw/zinc/14/91/12/244149112.db2.gz BUMMAVSAQGEONB-OAHLLOKOSA-N 0 3 349.438 3.007 40 0 EGABHN CNC(=O)[C@@H]1CCCN(Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000093360993 203185863 /nfs/dbraw/zinc/18/58/63/203185863.db2.gz ZYJPSCMWBXADAW-QGZVFWFLSA-N 0 3 339.439 3.140 40 0 EGABHN Cc1nccn1-c1cccc(C2CCN(Cc3cccnc3)CC2)n1 ZINC000072379070 203209976 /nfs/dbraw/zinc/20/99/76/203209976.db2.gz XNQCXJNTZJSNKU-UHFFFAOYSA-N 0 3 333.439 3.350 40 0 EGABHN Cc1cccc(CN2C[C@@H](c3ccccc3)[C@]3(C2)CCCC(=O)N3)n1 ZINC000257234860 244226514 /nfs/dbraw/zinc/22/65/14/244226514.db2.gz GVJTZEFCXNAJBM-PZJWPPBQSA-N 0 3 335.451 3.028 40 0 EGABHN Cc1ncc2cc(C)nc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n12 ZINC000257274496 244389592 /nfs/dbraw/zinc/38/95/92/244389592.db2.gz NLIIXKBMNDWMKU-CQSZACIVSA-N 0 3 330.432 3.461 40 0 EGABHN c1cc(CN2CC[C@@H]3O[C@H](COCc4cccnc4)CC[C@@H]32)cs1 ZINC000107205102 204228352 /nfs/dbraw/zinc/22/83/52/204228352.db2.gz ADMJLIXVQLDEEC-FHWLQOOXSA-N 0 3 344.480 3.482 40 0 EGABHN Cc1cccc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)n1 ZINC000107711953 204244465 /nfs/dbraw/zinc/24/44/65/204244465.db2.gz UVKUOMVUHHETHJ-PMACEKPBSA-N 0 3 330.472 3.188 40 0 EGABHN Cc1ccc(F)cc1CN1CCC2(CC(NC(=O)C3CC3)C2)CC1 ZINC000108529318 204266084 /nfs/dbraw/zinc/26/60/84/204266084.db2.gz MGACNQRLXSAUIX-UHFFFAOYSA-N 0 3 330.447 3.405 40 0 EGABHN COc1ccccc1-c1nnc([C@H]2CCN(Cc3cccnc3)C2)o1 ZINC000049170040 204369423 /nfs/dbraw/zinc/36/94/23/204369423.db2.gz KIGTTYRTKRBAMV-HNNXBMFYSA-N 0 3 336.395 3.130 40 0 biogenic,in-vitro EGABHN C[C@@H](N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cnn(C)c1 ZINC000095422516 218365055 /nfs/dbraw/zinc/36/50/55/218365055.db2.gz VSVUQQDORHKRLJ-DOMZBBRYSA-N 0 3 338.377 3.368 40 0 EGABHN C[C@H](CC(=O)Nc1ccc(Cl)cc1)NC[C@](C)(O)c1ccco1 ZINC000095423310 218366248 /nfs/dbraw/zinc/36/62/48/218366248.db2.gz GTUPUUUYLQAWML-PXAZEXFGSA-N 0 3 336.819 3.147 40 0 EGABHN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCCN(C(C)C)CC2)n1 ZINC000095447520 218391569 /nfs/dbraw/zinc/39/15/69/218391569.db2.gz ATXBGWBHYFGFNV-UHFFFAOYSA-N 0 3 342.434 3.033 40 0 EGABHN C[C@H](C[C@H](O)c1ccc(F)cc1)NCc1nc2ccccc2n1C ZINC000095448862 218392879 /nfs/dbraw/zinc/39/28/79/218392879.db2.gz CYNFPYSBPXAGLL-ACJLOTCBSA-N 0 3 327.403 3.314 40 0 EGABHN O=C(CC1=CCCCC1)N1Cc2ccnn2[C@H](CN2CCCCC2)C1 ZINC000247868303 295463311 /nfs/dbraw/zinc/46/33/11/295463311.db2.gz PMONBFPTVAELND-LJQANCHMSA-N 0 3 342.487 3.143 40 0 EGABHN COc1ccc([C@H](CN(C)C)NCc2ccc(NC(C)=O)cc2)cc1 ZINC000241634647 455268573 /nfs/dbraw/zinc/26/85/73/455268573.db2.gz PNZXJAITYWQFHQ-FQEVSTJZSA-N 0 3 341.455 3.046 40 0 EGABHN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)cc1O ZINC000000338225 452566659 /nfs/dbraw/zinc/56/66/59/452566659.db2.gz MPYHGNAJOKCMAQ-INIZCTEOSA-N 0 3 343.423 3.190 40 0 endogenous,in-man EGABHN Clc1ccc2c(c1)[C@@H](c1ccccc1)N=C(N1CCOCC1)N2 ZINC000005775049 452901494 /nfs/dbraw/zinc/90/14/94/452901494.db2.gz CWNKKEHBCMFZEF-QGZVFWFLSA-N 0 3 327.815 3.352 40 0 EGABHN COc1cc(CNC(C)(C)CO)ccc1OCc1ccc(F)cc1 ZINC000005817215 452904104 /nfs/dbraw/zinc/90/41/04/452904104.db2.gz RQALXMBGIUBEJV-UHFFFAOYSA-N 0 3 333.403 3.274 40 0 EGABHN COc1cccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)c1 ZINC000012134952 453344575 /nfs/dbraw/zinc/34/45/75/453344575.db2.gz ZOTLJCDTCZQNOF-PMSBKCLSSA-N 0 3 338.451 3.210 40 0 EGABHN Cc1ccc([C@@]2(O)CCC[C@H]3CN(Cc4cnc(C)nc4)C[C@@H]32)cc1 ZINC000012186323 453346782 /nfs/dbraw/zinc/34/67/82/453346782.db2.gz LOEHXFLWUKAUCB-JBACZVJFSA-N 0 3 337.467 3.213 40 0 EGABHN Cc1cc2nc([C@H]3CCCN(Cc4ccsc4)C3)cc(N)n2n1 ZINC000012185899 453347583 /nfs/dbraw/zinc/34/75/83/453347583.db2.gz WYULBGNQBYDOQU-AWEZNQCLSA-N 0 3 327.457 3.061 40 0 EGABHN C=Cn1ncc(CN2CCC[C@@](O)(c3ccc(F)cc3)CC2)c1C ZINC000012188838 453349603 /nfs/dbraw/zinc/34/96/03/453349603.db2.gz UOCOACRGKUMYSB-IBGZPJMESA-N 0 3 329.419 3.305 40 0 EGABHN C=Cn1ncc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)c1C ZINC000012345070 453356046 /nfs/dbraw/zinc/35/60/46/453356046.db2.gz UQKSNQARIQHXFV-YOFSQIOKSA-N 0 3 341.430 3.446 40 0 EGABHN C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCN1CCCCC1 ZINC000013708769 453482061 /nfs/dbraw/zinc/48/20/61/453482061.db2.gz BIOWZXSANBJTDA-INIZCTEOSA-N 0 3 326.440 3.209 40 0 EGABHN C[C@H](Oc1cccc2ccccc21)C(=O)NCCN1CCCCC1 ZINC000013709542 453484530 /nfs/dbraw/zinc/48/45/30/453484530.db2.gz VBIXTWSDCZDPDL-INIZCTEOSA-N 0 3 326.440 3.209 40 0 EGABHN Cc1csc2nc(CN3CCC[C@H]3Cc3ccccc3)cc(=O)n12 ZINC000025440491 453773009 /nfs/dbraw/zinc/77/30/09/453773009.db2.gz DRCNYXUFZAARHI-KRWDZBQOSA-N 0 3 339.464 3.272 40 0 EGABHN COc1cccc2cc(CNC[C@H]3CCN(CC(F)(F)F)C3)oc21 ZINC000095951273 454236674 /nfs/dbraw/zinc/23/66/74/454236674.db2.gz IUKKEXWHPDYASV-GFCCVEGCSA-N 0 3 342.361 3.415 40 0 EGABHN c1csc(CN2CC[C@@H]3O[C@@H](c4nnc(C5CC5)o4)C[C@H]3C2)c1 ZINC000096045977 454268253 /nfs/dbraw/zinc/26/82/53/454268253.db2.gz KISYTDYPESSDAH-AEGPPILISA-N 0 3 331.441 3.361 40 0 EGABHN Fc1ccc(CN2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)cc1 ZINC000096047890 454271823 /nfs/dbraw/zinc/27/18/23/454271823.db2.gz KNRVYPCAAPOWGO-LJQANCHMSA-N 0 3 342.414 3.423 40 0 EGABHN Cc1noc(C)c1CN1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC000096050724 454272231 /nfs/dbraw/zinc/27/22/31/454272231.db2.gz LHSVGRLEFAVCRZ-LJQANCHMSA-N 0 3 343.402 3.060 40 0 EGABHN Cc1nc(CN2C[C@H]3CN(Cc4cccc(F)c4)C[C@H]3C2)cs1 ZINC000096053867 454272908 /nfs/dbraw/zinc/27/29/08/454272908.db2.gz KOGNKYBZULBAMP-IYBDPMFKSA-N 0 3 331.460 3.154 40 0 EGABHN Cc1ccc([C@@H](CNC(=O)c2[nH]nc3ccccc32)N2CCCC2)cc1 ZINC000060239025 454274369 /nfs/dbraw/zinc/27/43/69/454274369.db2.gz ROPSOPCTCKXNJO-LJQANCHMSA-N 0 3 348.450 3.438 40 0 EGABHN Cc1ccc(CNC[C@H]2Cn3nnc(-c4ccsc4)c3CO2)s1 ZINC000096061047 454275951 /nfs/dbraw/zinc/27/59/51/454275951.db2.gz VQIXYKGEVPINGW-ZDUSSCGKSA-N 0 3 346.481 3.065 40 0 EGABHN Cc1ccc(CN2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)o1 ZINC000096061686 454276861 /nfs/dbraw/zinc/27/68/61/454276861.db2.gz IALCRPHUYBNZKN-RTWAWAEBSA-N 0 3 340.467 3.106 40 0 EGABHN COC[C@@H]1CC2(CO1)CCN(Cc1ccc3ccccc3n1)CC2 ZINC000096105808 454283936 /nfs/dbraw/zinc/28/39/36/454283936.db2.gz OZYIKXIFEWYWCA-SFHVURJKSA-N 0 3 326.440 3.252 40 0 EGABHN Fc1cccnc1O[C@H]1COC2(C1)CCN(Cc1ccco1)CC2 ZINC000096107022 454284712 /nfs/dbraw/zinc/28/47/12/454284712.db2.gz GSBQVJUWYQRUKT-OAHLLOKOSA-N 0 3 332.375 3.016 40 0 EGABHN Fc1cccnc1O[C@@H]1COC2(C1)CCN(Cc1ccsc1)CC2 ZINC000096107027 454284850 /nfs/dbraw/zinc/28/48/50/454284850.db2.gz ZOHCKPSPJFGWRO-HNNXBMFYSA-N 0 3 348.443 3.485 40 0 EGABHN Fc1cccnc1O[C@H]1CO[C@@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096107856 454285658 /nfs/dbraw/zinc/28/56/58/454285658.db2.gz AWBHUGMPHIJDDR-PBHICJAKSA-N 0 3 334.416 3.095 40 0 EGABHN CN(Cc1cccnc1)[C@@H]1CN(Cc2cccs2)[C@@H]2CCCO[C@H]12 ZINC000096185997 454299277 /nfs/dbraw/zinc/29/92/77/454299277.db2.gz NPTOZEKDICTOTD-QRVBRYPASA-N 0 3 343.496 3.007 40 0 EGABHN Cc1ccc(CN2CCC3(CN(c4cccc(F)c4)C3=O)CC2)o1 ZINC000096202930 454302689 /nfs/dbraw/zinc/30/26/89/454302689.db2.gz XBSJREHVLWSDBK-UHFFFAOYSA-N 0 3 328.387 3.356 40 0 EGABHN O=C(CC1CC1)N1CC[C@@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216460 454306837 /nfs/dbraw/zinc/30/68/37/454306837.db2.gz JBDFTOBZAFVNLU-NRFANRHFSA-N 0 3 342.483 3.180 40 0 EGABHN CCO[C@@H]1CC2(CCN([C@H]3CCOC3)CC2)c2cc(OC)ccc21 ZINC000096241879 454311298 /nfs/dbraw/zinc/31/12/98/454311298.db2.gz TZRYPHVNMHINEB-HNAYVOBHSA-N 0 3 331.456 3.299 40 0 EGABHN CC(C)[C@@H](C(=O)Nc1ccc(OCC2CCOCC2)cc1)N(C)C ZINC000096413197 454330751 /nfs/dbraw/zinc/33/07/51/454330751.db2.gz URCGSMYDXIVRII-SFHVURJKSA-N 0 3 334.460 3.017 40 0 EGABHN CC[C@H](NCCc1cc(Cl)c2c(c1)OCCO2)c1nccn1C ZINC000096491605 454368800 /nfs/dbraw/zinc/36/88/00/454368800.db2.gz IGKWSWXUISRLQX-AWEZNQCLSA-N 0 3 335.835 3.128 40 0 EGABHN C[C@@H]1CCCN(C(=O)CN[C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000096492218 454370032 /nfs/dbraw/zinc/37/00/32/454370032.db2.gz POCLFSSXHASQBC-ZIFCJYIRSA-N 0 3 330.472 3.002 40 0 EGABHN Cc1cc(CC(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)no1 ZINC000062363209 454375361 /nfs/dbraw/zinc/37/53/61/454375361.db2.gz MCNALPVLMVBSKO-IBGZPJMESA-N 0 3 341.455 3.115 40 0 EGABHN COc1cccc(-c2noc([C@@H]3CCCN3C3CCOCC3)n2)c1 ZINC000097103462 454407159 /nfs/dbraw/zinc/40/71/59/454407159.db2.gz JCVKPNXTJPRGAV-INIZCTEOSA-N 0 3 329.400 3.061 40 0 EGABHN O=S1(=O)CCC[C@@H](NCCCc2ccc(Cl)cc2Cl)C1 ZINC000097230739 454427098 /nfs/dbraw/zinc/42/70/98/454427098.db2.gz FBINPOIFPROPMW-CYBMUJFWSA-N 0 3 336.284 3.093 40 0 EGABHN CC(C)(O)CN1CCc2c(cccc2NC(=O)C[C@H]2C=CCC2)C1 ZINC000097372880 454434599 /nfs/dbraw/zinc/43/45/99/454434599.db2.gz NSNNDSHERLTDDG-HNNXBMFYSA-N 0 3 328.456 3.110 40 0 EGABHN CCn1cncc1CN1C[C@@H]2CCC[C@](O)(c3ccc(C)cc3)[C@H]2C1 ZINC000248095582 455680413 /nfs/dbraw/zinc/68/04/13/455680413.db2.gz NXAYDVCQUNHBFR-YYWHXJBOSA-N 0 3 339.483 3.331 40 0 EGABHN Cc1ccc([C@]2(O)CCC[C@@H]3CN(Cc4cnc(C)nc4)C[C@H]32)cc1 ZINC000248088024 455680705 /nfs/dbraw/zinc/68/07/05/455680705.db2.gz LOEHXFLWUKAUCB-HMXCVIKNSA-N 0 3 337.467 3.213 40 0 EGABHN COCc1nsc(NCC2CCN(Cc3cccs3)CC2)n1 ZINC000253432773 455848930 /nfs/dbraw/zinc/84/89/30/455848930.db2.gz NZJDMUPSEMXNJG-UHFFFAOYSA-N 0 3 338.502 3.070 40 0 EGABHN Cc1c[nH]c(-c2cc(C[C@H]3CCCN(Cc4cccnc4)C3)ncn2)n1 ZINC000257297487 455885608 /nfs/dbraw/zinc/88/56/08/455885608.db2.gz RHLCEXUOMSKBBS-MRXNPFEDSA-N 0 3 348.454 3.025 40 0 EGABHN CC(=O)NCc1cc([C@H]2CCCN2CCc2ccc(F)cc2)ccn1 ZINC000257330531 455892496 /nfs/dbraw/zinc/89/24/96/455892496.db2.gz XOTQTXUVSPHHPO-HXUWFJFHSA-N 0 3 341.430 3.236 40 0 EGABHN Cc1cccnc1Nc1cc(C2CCN([C@H]3CCOC3)CC2)ccn1 ZINC000257334870 455894382 /nfs/dbraw/zinc/89/43/82/455894382.db2.gz YHSSIYRLOXQZDD-SFHVURJKSA-N 0 3 338.455 3.497 40 0 EGABHN CC(C)C[C@H](N)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000195554554 455984201 /nfs/dbraw/zinc/98/42/01/455984201.db2.gz BPVBYCUINWINEF-QWRGUYRKSA-N 0 3 349.422 3.241 40 0 EGABHN Cc1cc(NC(=O)[C@H]2CCCN2C2CCOCC2)c2ccccc2n1 ZINC000195557777 455984941 /nfs/dbraw/zinc/98/49/41/455984941.db2.gz ZNWDAMFYUZIYRK-LJQANCHMSA-N 0 3 339.439 3.125 40 0 EGABHN OC[C@H](Cc1c[nH]c2ccccc12)NCC1=Cc2ccccc2OC1 ZINC000390833893 457446366 /nfs/dbraw/zinc/44/63/66/457446366.db2.gz OOSWAPMAYKNULK-SFHVURJKSA-N 0 3 334.419 3.137 40 0 EGABHN O=C(c1ccc(F)cc1)N1CCC[C@@H](N2CCc3ccccc3C2)C1 ZINC000408610654 457584401 /nfs/dbraw/zinc/58/44/01/457584401.db2.gz QZJVULCSQAERLO-HXUWFJFHSA-N 0 3 338.426 3.489 40 0 EGABHN COc1ccc(OC)c(C(=O)N2CCC[C@@]3(CCN3CC(C)C)C2)c1 ZINC000585101797 459823880 /nfs/dbraw/zinc/82/38/80/459823880.db2.gz HBUMAJDEKHPLGZ-HXUWFJFHSA-N 0 3 346.471 3.040 40 0 EGABHN COCC[C@@H]1CCOC12CCN(Cc1cc(OC)cc(OC)c1)CC2 ZINC000585105482 459825522 /nfs/dbraw/zinc/82/55/22/459825522.db2.gz XQDCJCSATWGULM-QGZVFWFLSA-N 0 3 349.471 3.111 40 0 EGABHN CCc1nc(C)c(CN2CC[C@H](OC)[C@H](Cc3ccccc3)C2)[nH]1 ZINC000585279523 459832114 /nfs/dbraw/zinc/83/21/14/459832114.db2.gz ZIKDTIARMWSLSN-MJGOQNOKSA-N 0 3 327.472 3.360 40 0 EGABHN CCO[C@@](C)(C(=O)Nc1ccc(OCCN2CCCC2)cc1)C1CC1 ZINC000225723190 535544079 /nfs/dbraw/zinc/54/40/79/535544079.db2.gz FVEYMZFJANHSHA-HXUWFJFHSA-N 0 3 346.471 3.305 40 0 EGABHN CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(N(C)C)cc1 ZINC000008254544 546511122 /nfs/dbraw/zinc/51/11/22/546511122.db2.gz ROIJLBAYOOWWNP-RLFYNMQTSA-N 0 3 346.544 3.159 40 0 biogenic,in-vitro EGABHN c1cc(N2CCCC2)cn2nc([C@@H]3CCCN(C4CCC4)C3)nc12 ZINC000306127346 547460000 /nfs/dbraw/zinc/46/00/00/547460000.db2.gz FWKQIEPVSUOWGQ-OAHLLOKOSA-N 0 3 325.460 3.061 40 0 EGABHN CC(C)(C)OC(=O)N1CCC2(CC1)CNC[C@H](c1ccccc1)O2 ZINC000203809932 574980192 /nfs/dbraw/zinc/98/01/92/574980192.db2.gz RTRGDMDCYYYUCI-MRXNPFEDSA-N 0 3 332.444 3.117 40 0 EGABHN CC(C)C[C@H](c1nnnn1C(C)(C)C)N1CCN(C2CCCC2)CC1 ZINC000019446781 202006917 /nfs/dbraw/zinc/00/69/17/202006917.db2.gz AAVRWCVQVQLUQE-QGZVFWFLSA-N 0 3 348.539 3.076 40 0 EGABHN O=C(CCc1ccc(F)cc1)NCCCN1CCc2ccccc2C1 ZINC000029839708 202191628 /nfs/dbraw/zinc/19/16/28/202191628.db2.gz ZCQAZIUZFHSHJS-UHFFFAOYSA-N 0 3 340.442 3.323 40 0 EGABHN C[C@@H](NC(=O)Nc1ccccc1OCC(F)F)C1=CCN(C)CC1 ZINC000272664459 201252403 /nfs/dbraw/zinc/25/24/03/201252403.db2.gz IUUYYFGENGDCEC-GFCCVEGCSA-N 0 3 339.386 3.102 40 0 EGABHN O=C(NCC1CCN(Cc2ccco2)CC1)c1c(F)cccc1F ZINC000023128004 212352578 /nfs/dbraw/zinc/35/25/78/212352578.db2.gz AVHZRAOTTVCYGV-UHFFFAOYSA-N 0 3 334.366 3.200 40 0 EGABHN COCCN1CCC(CNC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000023127927 212351725 /nfs/dbraw/zinc/35/17/25/212351725.db2.gz YTAASOAEHYQKEW-UHFFFAOYSA-N 0 3 345.270 3.082 40 0 EGABHN CN(C)C[C@@H]1CSCCCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000090699896 203004355 /nfs/dbraw/zinc/00/43/55/203004355.db2.gz JLASSEGDBVRYQH-CQSZACIVSA-N 0 3 346.418 3.215 40 0 EGABHN CCN1CCC[C@@H]1Cc1c2ccccc2sc1C(=O)NCCOC ZINC000072370375 203209273 /nfs/dbraw/zinc/20/92/73/203209273.db2.gz FQPKOQBOFJQBQZ-CQSZACIVSA-N 0 3 346.496 3.304 40 0 EGABHN CCn1cncc1CN1C[C@@H]2CCC[C@](O)(c3ccc(C)cc3)[C@@H]2C1 ZINC000072340453 203202972 /nfs/dbraw/zinc/20/29/72/203202972.db2.gz NXAYDVCQUNHBFR-WMQCIHAUSA-N 0 3 339.483 3.331 40 0 EGABHN Cc1cc(CCC(=O)Nc2ncccc2C)cc([C@H]2CCCN2C)n1 ZINC000072366966 203208317 /nfs/dbraw/zinc/20/83/17/203208317.db2.gz CJOONPBNDULMMY-GOSISDBHSA-N 0 3 338.455 3.431 40 0 EGABHN COc1cccc(-c2noc([C@@H]3CCN(Cc4ccncc4)C3)n2)c1 ZINC000072369869 203208493 /nfs/dbraw/zinc/20/84/93/203208493.db2.gz FCEIHYIEJPABSQ-MRXNPFEDSA-N 0 3 336.395 3.130 40 0 EGABHN c1ccc2nc(CN3C[C@@H]4[C@H](Nc5cccnn5)CC[C@@H]4C3)ccc2c1 ZINC000257258398 244289356 /nfs/dbraw/zinc/28/93/56/244289356.db2.gz KTSAAPYPBDOWBD-IMFGXOCKSA-N 0 3 345.450 3.347 40 0 EGABHN Cc1ccc(CN2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)o1 ZINC000096047875 203806360 /nfs/dbraw/zinc/80/63/60/203806360.db2.gz GDBWZUOAYRHXEX-LJQANCHMSA-N 0 3 342.439 3.323 40 0 EGABHN c1cc(CN2CC[C@@H]3O[C@H](COc4cccnc4)CC[C@@H]32)cs1 ZINC000107205046 204228717 /nfs/dbraw/zinc/22/87/17/204228717.db2.gz DNFJIWHKEWFAND-BZSNNMDCSA-N 0 3 330.453 3.344 40 0 EGABHN Cc1cccc(CN2CC3(CC2=O)CCN(Cc2ccccn2)CC3)c1 ZINC000108532367 204266477 /nfs/dbraw/zinc/26/64/77/204266477.db2.gz NNCMMBPHLLULMB-UHFFFAOYSA-N 0 3 349.478 3.405 40 0 EGABHN CN(C)c1ccc(-c2nnc([C@H]3CCN(Cc4ccco4)C3)o2)cc1 ZINC000049170206 204369514 /nfs/dbraw/zinc/36/95/14/204369514.db2.gz UFYUJCLHIAFSKJ-HNNXBMFYSA-N 0 3 338.411 3.385 40 0 biogenic,in-vitro EGABHN Cn1c2ccccc2nc1[C@H]1CCN(Cc2ccc3c(c2)OCO3)C1 ZINC000049171192 204370270 /nfs/dbraw/zinc/37/02/70/204370270.db2.gz DIRCCPTZFPRNEX-HNNXBMFYSA-N 0 3 335.407 3.292 40 0 biogenic,in-vitro EGABHN O=C1N(Cc2cccnc2)CC[C@@]12CCCN(Cc1ccsc1)C2 ZINC000096224317 218699849 /nfs/dbraw/zinc/69/98/49/218699849.db2.gz ASEREPJIONKQMT-LJQANCHMSA-N 0 3 341.480 3.158 40 0 EGABHN Cc1ncccc1CN(C)C1CCN(c2ncnc3ccccc32)CC1 ZINC000096490027 218866516 /nfs/dbraw/zinc/86/65/16/218866516.db2.gz OGELUYCUHFVOAV-UHFFFAOYSA-N 0 3 347.466 3.434 40 0 EGABHN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 ZINC000222773637 285179018 /nfs/dbraw/zinc/17/90/18/285179018.db2.gz ZVSIYQKXLZOKQG-ZWKOTPCHSA-N 0 3 349.463 3.260 40 0 EGABHN Cc1c(C(=O)NCCN2CCC(C)CC2)oc2c1[C@@H](O)CC(C)(C)C2 ZINC000019565245 280214635 /nfs/dbraw/zinc/21/46/35/280214635.db2.gz MLUWTSDFRUDOKV-HNNXBMFYSA-N 0 3 348.487 3.056 40 0 EGABHN Cc1cc(N2CCN(c3cc(C4CC4)[nH]n3)CC2)c2ccccc2n1 ZINC000302405965 308736955 /nfs/dbraw/zinc/73/69/55/308736955.db2.gz KREZXVSJJNNLLR-UHFFFAOYSA-N 0 3 333.439 3.470 40 0 EGABHN O=C(CCc1cncc(F)c1)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000097102290 323214639 /nfs/dbraw/zinc/21/46/39/323214639.db2.gz LYHLFOMCWQWRNA-GOSISDBHSA-N 0 3 339.414 3.165 40 0 EGABHN CCCC/C=C/[C@@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccccc1 ZINC000005781988 452902362 /nfs/dbraw/zinc/90/23/62/452902362.db2.gz JKPUZMZDECKYBD-RLZVKSRLSA-N 0 3 343.467 3.258 40 0 EGABHN CC[C@H](CO)NCc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000008337071 453194515 /nfs/dbraw/zinc/19/45/15/453194515.db2.gz FUNZQXLZHDFWSY-GOSISDBHSA-N 0 3 329.440 3.443 40 0 EGABHN CC1CCN(C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C2CC2)CC1 ZINC000012240085 453352617 /nfs/dbraw/zinc/35/26/17/453352617.db2.gz DILPZUJYXJCNBA-FQEVSTJZSA-N 0 3 342.483 3.141 40 0 EGABHN O[C@@H](CN1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccccc1 ZINC000012293299 453353639 /nfs/dbraw/zinc/35/36/39/453353639.db2.gz LCAKEVQNPLJYRL-OALUTQOASA-N 0 3 339.435 3.071 40 0 EGABHN C[N@@H+]1CCc2cc(Br)c([O-])cc2[C@@H](c2ccc(N)cc2)C1 ZINC000013446577 453465339 /nfs/dbraw/zinc/46/53/39/453465339.db2.gz JJKVHQGSRGJOOG-OAHLLOKOSA-N 0 3 347.256 3.357 40 0 EGABHN C[N@H+]1CCc2cc(Br)c([O-])cc2[C@@H](c2ccc(N)cc2)C1 ZINC000013446577 453465344 /nfs/dbraw/zinc/46/53/44/453465344.db2.gz JJKVHQGSRGJOOG-OAHLLOKOSA-N 0 3 347.256 3.357 40 0 EGABHN Cc1nccn1CC1(O)CCN(Cc2cccc(OC(C)C)c2)CC1 ZINC000019287989 453655090 /nfs/dbraw/zinc/65/50/90/453655090.db2.gz SYDZERDELLDMTO-UHFFFAOYSA-N 0 3 343.471 3.006 40 0 EGABHN COc1cc(CN(C)C[C@@H](O)c2ccccc2)ccc1OC(F)F ZINC000025702280 453782931 /nfs/dbraw/zinc/78/29/31/453782931.db2.gz XEZVHACTMHITCR-OAHLLOKOSA-N 0 3 337.366 3.462 40 0 EGABHN O=C(C1CCN(Cc2ccc[nH]2)CC1)N(Cc1ccccc1)C1CC1 ZINC000190684872 455366113 /nfs/dbraw/zinc/36/61/13/455366113.db2.gz WENZFGPFPREVLD-UHFFFAOYSA-N 0 3 337.467 3.418 40 0 EGABHN O=C(COc1ccc(-c2ccccc2)cc1)N1CCN2CCC[C@@H]2C1 ZINC000028233481 453822760 /nfs/dbraw/zinc/82/27/60/453822760.db2.gz JXXOAVBUUJIRHP-LJQANCHMSA-N 0 3 336.435 3.039 40 0 EGABHN O=C(NCc1cccnc1)C1CCN(c2ccnc3ccccc32)CC1 ZINC000095459730 454216644 /nfs/dbraw/zinc/21/66/44/454216644.db2.gz WLVJDARETNNKGR-UHFFFAOYSA-N 0 3 346.434 3.163 40 0 EGABHN COC[C@]12CCCO[C@@H]1CCN(Cc1ccc3ccccc3n1)C2 ZINC000096039141 454265545 /nfs/dbraw/zinc/26/55/45/454265545.db2.gz CIKOGMGUTKCFOG-WOJBJXKFSA-N 0 3 326.440 3.252 40 0 EGABHN Cc1ccc(CN2CCC3(CC2)CN(Cc2ccccc2)CCO3)o1 ZINC000096048951 454271377 /nfs/dbraw/zinc/27/13/77/454271377.db2.gz PPLOTFIRAADNNL-UHFFFAOYSA-N 0 3 340.467 3.455 40 0 EGABHN CN(Cc1ccco1)[C@@H]1CCC12CCN(C(=O)c1ccccn1)CC2 ZINC000096051590 454272768 /nfs/dbraw/zinc/27/27/68/454272768.db2.gz SSKOPQGXDIYBBZ-GOSISDBHSA-N 0 3 339.439 3.191 40 0 EGABHN CC[C@@H]1N(Cc2ccsc2)CCC[C@]12CCC(=O)N2CCOC ZINC000096052435 454272876 /nfs/dbraw/zinc/27/28/76/454272876.db2.gz JBFOSICVZPLISV-WMZOPIPTSA-N 0 3 336.501 3.130 40 0 EGABHN Cc1ccc(CN2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)s1 ZINC000096058082 454274249 /nfs/dbraw/zinc/27/42/49/454274249.db2.gz HAPFYSLCMVTPIO-BZSNNMDCSA-N 0 3 330.453 3.262 40 0 EGABHN COc1ccc(CN2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)cc1 ZINC000096057003 454275223 /nfs/dbraw/zinc/27/52/23/454275223.db2.gz BSSPCZNYZFNVOZ-NHCUHLMSSA-N 0 3 345.483 3.493 40 0 EGABHN Cc1ccc(CNC[C@H]2Cn3nnc(-c4ccccc4)c3CO2)s1 ZINC000096061083 454276893 /nfs/dbraw/zinc/27/68/93/454276893.db2.gz NARKWVFMKONBLD-HNNXBMFYSA-N 0 3 340.452 3.004 40 0 EGABHN CN1CCC(Oc2ccc(CNC(=O)c3ccccc3F)cc2)CC1 ZINC000078578750 454279443 /nfs/dbraw/zinc/27/94/43/454279443.db2.gz JUVKXFUGNCBICI-UHFFFAOYSA-N 0 3 342.414 3.229 40 0 EGABHN Cc1noc(C)c1CN1CC[C@@]2(CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC000096077397 454280376 /nfs/dbraw/zinc/28/03/76/454280376.db2.gz ARYFIXFPDLVYBQ-HXUWFJFHSA-N 0 3 339.439 3.229 40 0 EGABHN Cc1ccsc1CN1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000096107757 454285589 /nfs/dbraw/zinc/28/55/89/454285589.db2.gz SUMYWSDMHSVCDH-AEFFLSMTSA-N 0 3 330.453 3.264 40 0 EGABHN Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CCN3Cc2ccsc2)n1 ZINC000096186526 454300370 /nfs/dbraw/zinc/30/03/70/454300370.db2.gz SNCOQKILUQRCML-QZTJIDSGSA-N 0 3 341.480 3.217 40 0 EGABHN Cc1cccc(CN2CCC3(CN(Cc4cccnc4)C3=O)CC2)c1 ZINC000096202883 454303039 /nfs/dbraw/zinc/30/30/39/454303039.db2.gz MIDCRFWBVRYRJM-UHFFFAOYSA-N 0 3 335.451 3.015 40 0 EGABHN CN(C)CCSc1ccc(NC(=O)c2ncncc2Cl)cc1 ZINC000096455660 454358310 /nfs/dbraw/zinc/35/83/10/454358310.db2.gz PAAVZYLUHBCBNK-UHFFFAOYSA-N 0 3 336.848 3.036 40 0 EGABHN CCc1cnc([C@H](C)NC2CCN(Cc3ccccn3)CC2)s1 ZINC000096479068 454364282 /nfs/dbraw/zinc/36/42/82/454364282.db2.gz XCQSYRQEIXMOCO-AWEZNQCLSA-N 0 3 330.501 3.416 40 0 EGABHN COc1ccc([C@@H](C)NC2CCC(O)CC2)c(Br)c1 ZINC000096493331 454369485 /nfs/dbraw/zinc/36/94/85/454369485.db2.gz BXVYCIZDXIMEEE-VOMCLLRMSA-N 0 3 328.250 3.412 40 0 EGABHN COc1ccc(C)cc1[C@H](C)NC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000096499688 454372061 /nfs/dbraw/zinc/37/20/61/454372061.db2.gz QNVQELPUXOIYMT-JZXOWHBKSA-N 0 3 345.487 3.190 40 0 EGABHN Cc1ccc([C@H](CNC(=O)NCc2cc(C(C)C)no2)N(C)C)cc1 ZINC000079349523 454401453 /nfs/dbraw/zinc/40/14/53/454401453.db2.gz NFZAIXLGRUABMB-SFHVURJKSA-N 0 3 344.459 3.209 40 0 EGABHN C[C@H](NCCCN1CCCC1=O)c1ccc(Br)cc1F ZINC000125573692 454833256 /nfs/dbraw/zinc/83/32/56/454833256.db2.gz IEVRQFVZJFWGRP-NSHDSACASA-N 0 3 343.240 3.251 40 0 EGABHN COC1(CN[C@@H](C)c2ccc(Br)cc2F)CCOCC1 ZINC000128141911 455029496 /nfs/dbraw/zinc/02/94/96/455029496.db2.gz RDUKWGXUJHMXPZ-NSHDSACASA-N 0 3 346.240 3.434 40 0 EGABHN COc1ccc(COC[C@H](O)CN2CCc3sccc3[C@H]2C)cc1 ZINC000245237332 455280774 /nfs/dbraw/zinc/28/07/74/455280774.db2.gz JTPCBFNAABBCTR-GDBMZVCRSA-N 0 3 347.480 3.254 40 0 EGABHN c1coc(CN2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306137405 456567933 /nfs/dbraw/zinc/56/79/33/456567933.db2.gz QVMQMPHQBCNCAV-QGZVFWFLSA-N 0 3 345.406 3.374 40 0 EGABHN FC(F)(F)C1CCN(C2CC(Nc3ncnc4[nH]ccc43)C2)CC1 ZINC000376013132 458162600 /nfs/dbraw/zinc/16/26/00/458162600.db2.gz GXOHFELROXFKEP-UHFFFAOYSA-N 0 3 339.365 3.175 40 0 EGABHN CN1CC[C@H](COc2ccccn2)CC12CN(CC1CCCC1)C2 ZINC000585103489 459824414 /nfs/dbraw/zinc/82/44/14/459824414.db2.gz XHXBBTNTTXRYKH-SFHVURJKSA-N 0 3 329.488 3.047 40 0 EGABHN CSc1cccc(N(C(=O)C[C@H]2CCCO2)C2CCN(C)CC2)c1 ZINC000171999566 526103179 /nfs/dbraw/zinc/10/31/79/526103179.db2.gz DQWOURWEJGRTKP-QGZVFWFLSA-N 0 3 348.512 3.405 40 0 EGABHN C[C@@H](CNC(=O)c1ccc(Br)cc1)N1CCC[C@@H](C)C1 ZINC000040108047 202168929 /nfs/dbraw/zinc/16/89/29/202168929.db2.gz LLAZDTFCIPMRPW-OLZOCXBDSA-N 0 3 339.277 3.299 40 0 EGABHN Cc1ccc(CN(CCCn2ccnc2)Cc2cnn(C)c2)s1 ZINC000036740407 202330413 /nfs/dbraw/zinc/33/04/13/202330413.db2.gz WBOUSMZQVVKHQQ-UHFFFAOYSA-N 0 3 329.473 3.079 40 0 EGABHN CC(C)[C@H](N)C(=O)N(Cc1ccc(Br)cc1)C(C)C ZINC000079420641 202435531 /nfs/dbraw/zinc/43/55/31/202435531.db2.gz DTVZBHOUVZDGGW-AWEZNQCLSA-N 0 3 327.266 3.169 40 0 EGABHN COc1cccc([C@H](O)CNCc2ccc3c(c2)CC(C)(C)O3)c1 ZINC000237325097 242586948 /nfs/dbraw/zinc/58/69/48/242586948.db2.gz WNNHKXNBSFCIKN-GOSISDBHSA-N 0 3 327.424 3.232 40 0 EGABHN CNc1cc(C)nc([C@@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)c1 ZINC000257219536 244176624 /nfs/dbraw/zinc/17/66/24/244176624.db2.gz DHDAWPGJVPJIGD-SGQUHAKNSA-N 0 3 337.423 3.045 40 0 EGABHN C[C@]12C[C@@H](c3ccccc3)N(Cc3cccnc3)[C@H]1CCCC(=O)N2 ZINC000257210720 244150584 /nfs/dbraw/zinc/15/05/84/244150584.db2.gz BVVVXYJWUOHUFX-ZJOUEHCJSA-N 0 3 335.451 3.456 40 0 EGABHN Cc1nn(C)c2nc([C@]3(C)CCCN(Cc4ccccn4)C3)ccc12 ZINC000257211908 244153949 /nfs/dbraw/zinc/15/39/49/244153949.db2.gz CAZYASNACIGGGL-HXUWFJFHSA-N 0 3 335.455 3.225 40 0 EGABHN Cc1ncccc1Oc1cncc([C@H]2CCCN2C2CCOCC2)n1 ZINC000072384254 203210775 /nfs/dbraw/zinc/21/07/75/203210775.db2.gz DBINZHSLNFJLJU-QGZVFWFLSA-N 0 3 340.427 3.288 40 0 EGABHN COc1ccc(CN2CCOC[C@@H](Cc3cccc(C)n3)C2)cc1 ZINC000072388192 203211580 /nfs/dbraw/zinc/21/15/80/203211580.db2.gz ASYYJQICAANLQD-SFHVURJKSA-N 0 3 326.440 3.090 40 0 EGABHN CNc1cc([C@H]2CCCN2C(=O)c2ccc(CN(C)C)cc2)ccn1 ZINC000257271718 244380512 /nfs/dbraw/zinc/38/05/12/244380512.db2.gz MZMINOBYWSEOOP-GOSISDBHSA-N 0 3 338.455 3.162 40 0 EGABHN COc1ccc(N[C@H]2CO[C@@]3(CCN(Cc4ccc(C)o4)C3)C2)cc1 ZINC000107728469 204245573 /nfs/dbraw/zinc/24/55/73/204245573.db2.gz RYDSDZICONIUEZ-XLIONFOSSA-N 0 3 342.439 3.442 40 0 EGABHN CC1CCN(CCNC(=O)Nc2cccc(OC(F)F)c2)CC1 ZINC000047905181 204339448 /nfs/dbraw/zinc/33/94/48/204339448.db2.gz WAIFNBVPBSGLLQ-UHFFFAOYSA-N 0 3 327.375 3.141 40 0 EGABHN C[C@H](NC[C@@]1(O)CCCc2ccccc21)c1ccc([S@](C)=O)cc1 ZINC000110687319 204320806 /nfs/dbraw/zinc/32/08/06/204320806.db2.gz BJURMEUUUOGMOP-IJHUGTEESA-N 0 3 343.492 3.299 40 0 EGABHN CCN(CC)CCOC(=O)[C@H](c1ccccc1)[C@@H](O)C1=CCCC1 ZINC000001593588 284635999 /nfs/dbraw/zinc/63/59/99/284635999.db2.gz QEDNEDZUHNKWMR-MOPGFXCFSA-N 0 3 331.456 3.126 40 0 EGABHN Cc1nnc2ccc(NC3CCN([C@@H](C)c4ccccc4)CC3)nn12 ZINC000096407649 218759145 /nfs/dbraw/zinc/75/91/45/218759145.db2.gz WYAHTPRFQSRLQL-AWEZNQCLSA-N 0 3 336.443 3.070 40 0 EGABHN c1cc(CN2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)co1 ZINC000306140511 257923862 /nfs/dbraw/zinc/92/38/62/257923862.db2.gz UVXAXFZRNSPOCV-SFHVURJKSA-N 0 3 345.406 3.374 40 0 EGABHN CCN(CC)CCOC(=O)[C@@H](c1ccccc1)[C@H](O)C1CCCC1 ZINC000001593590 276099724 /nfs/dbraw/zinc/09/97/24/276099724.db2.gz ZMMPWOWHQKYBOW-RBUKOAKNSA-N 0 3 333.472 3.206 40 0 EGABHN Cc1csc([C@H](C)N[C@H](C)CCN2C(=O)c3ccccc3C2=O)n1 ZINC000195566395 323888667 /nfs/dbraw/zinc/88/86/67/323888667.db2.gz IDBWXOQZXQLZLH-YPMHNXCESA-N 0 3 343.452 3.177 40 0 EGABHN O[C@@H](CN1CCC(n2ccc(C(F)(F)F)n2)CC1)c1ccccc1 ZINC000183149271 455239137 /nfs/dbraw/zinc/23/91/37/455239137.db2.gz XKIQEFSAWGGVBF-HNNXBMFYSA-N 0 3 339.361 3.272 40 0 EGABHN CCN(CC)CCOC(=O)[C@H](c1ccccc1)[C@H](O)C1CCCC1 ZINC000001593591 452669729 /nfs/dbraw/zinc/66/97/29/452669729.db2.gz ZMMPWOWHQKYBOW-RTBURBONSA-N 0 3 333.472 3.206 40 0 EGABHN C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCCCCC1 ZINC000008211701 453177072 /nfs/dbraw/zinc/17/70/72/453177072.db2.gz IPUOPLNUYGLFOH-KMYSJOAASA-N 0 3 347.503 3.046 40 0 EGABHN Cc1nc(-c2ccc(C)cc2C)c(CC(=O)N(C)CCN(C)C)s1 ZINC000012238220 453351877 /nfs/dbraw/zinc/35/18/77/453351877.db2.gz CJNBVYLJWFUSLU-UHFFFAOYSA-N 0 3 345.512 3.298 40 0 EGABHN O[C@H](CO[C@H]1CCCc2ccccc21)CN1CCc2ccccc2C1 ZINC000014138619 453510923 /nfs/dbraw/zinc/51/09/23/453510923.db2.gz TVLVXPUNKAWTML-UNMCSNQZSA-N 0 3 337.463 3.500 40 0 EGABHN CN(C)c1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000027604519 453819393 /nfs/dbraw/zinc/81/93/93/453819393.db2.gz QUCIEMKKFAHAMS-QGZVFWFLSA-N 0 3 343.496 3.381 40 0 EGABHN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1Nc1cnn(C(C)(C)C)c1 ZINC000245918650 455399732 /nfs/dbraw/zinc/39/97/32/455399732.db2.gz PSWAXIAVMHAQMB-CRAIPNDOSA-N 0 3 327.476 3.356 40 0 EGABHN CCOc1ccc([C@H](N)c2n[nH]c(-c3ccc(F)cc3)n2)cc1OC ZINC000095534208 454230529 /nfs/dbraw/zinc/23/05/29/454230529.db2.gz JKCNNUDTQWEGSC-INIZCTEOSA-N 0 3 342.374 3.066 40 0 EGABHN O=C1CCC[C@@H]2[C@@H](N1)[C@H](c1cccc(F)c1)CN2Cc1ccccc1 ZINC000095951722 454237185 /nfs/dbraw/zinc/23/71/85/454237185.db2.gz HYBMYOKAHFTXBI-ZVDOUQERSA-N 0 3 338.426 3.462 40 0 biogenic EGABHN O=C(c1cccs1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096053899 454275185 /nfs/dbraw/zinc/27/51/85/454275185.db2.gz VZOJFFWUIFFCIS-HUUCEWRRSA-N 0 3 330.428 3.091 40 0 EGABHN Fc1ccc(-c2ncnc3c2CCN(Cc2ccncc2)CC3)cc1 ZINC000096058706 454276117 /nfs/dbraw/zinc/27/61/17/454276117.db2.gz UFEQNBJEXIOXMM-UHFFFAOYSA-N 0 3 334.398 3.279 40 0 EGABHN c1coc(CN2CCOC[C@@]3(CCN(Cc4cccs4)C3)C2)c1 ZINC000096062389 454278929 /nfs/dbraw/zinc/27/89/29/454278929.db2.gz JSGOUAJZUALSDE-GOSISDBHSA-N 0 3 332.469 3.066 40 0 EGABHN c1cc(CN2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)cs1 ZINC000096073153 454280221 /nfs/dbraw/zinc/28/02/21/454280221.db2.gz YTPTZAUTLIVSMS-SFHVURJKSA-N 0 3 344.480 3.483 40 0 EGABHN Fc1ccc(CN2CCC3(CC2)CN(c2ccccn2)CCO3)cc1 ZINC000096158988 454295613 /nfs/dbraw/zinc/29/56/13/454295613.db2.gz BOIGALFUYUAYER-UHFFFAOYSA-N 0 3 341.430 3.092 40 0 EGABHN c1cc(CN2CC[C@@H]3O[C@@H](COCc4cccnc4)CC[C@@H]32)cs1 ZINC000096186755 454300217 /nfs/dbraw/zinc/30/02/17/454300217.db2.gz ADMJLIXVQLDEEC-QYZOEREBSA-N 0 3 344.480 3.482 40 0 EGABHN Cc1cccc(CN2CCC[C@@]3(C[C@H](Nc4cccnc4)CO3)C2)n1 ZINC000096222835 454309434 /nfs/dbraw/zinc/30/94/34/454309434.db2.gz IPUZESSZBBOFLB-VQTJNVASSA-N 0 3 338.455 3.021 40 0 EGABHN Cc1nc(CN2CCC3(CC2)CN(C)Cc2ccccc23)cs1 ZINC000096242373 454311277 /nfs/dbraw/zinc/31/12/77/454311277.db2.gz FOVKPVIUQQSTBC-UHFFFAOYSA-N 0 3 327.497 3.431 40 0 EGABHN CC/C=C(\C)C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000096406031 454324558 /nfs/dbraw/zinc/32/45/58/454324558.db2.gz POMGNADPRAIGOH-BDBSJLECSA-N 0 3 330.472 3.359 40 0 EGABHN CCn1cc(C(=O)Nc2ccc(OCCN(C)C)cc2)c(C(C)C)n1 ZINC000096418245 454334368 /nfs/dbraw/zinc/33/43/68/454334368.db2.gz HDVBPNONRJNBIU-UHFFFAOYSA-N 0 3 344.459 3.219 40 0 EGABHN CCc1nc(C(=O)N(CC)[C@H]2CCN([C@@H](C)c3ccccc3)C2)c[nH]1 ZINC000096454216 454357314 /nfs/dbraw/zinc/35/73/14/454357314.db2.gz RXBKRUBEGBTBHF-RDJZCZTQSA-N 0 3 340.471 3.270 40 0 EGABHN Cc1ccc(CNCc2cccc3c[nH]nc32)c(O[C@@H]2CCOC2)c1 ZINC000096466787 454360376 /nfs/dbraw/zinc/36/03/76/454360376.db2.gz DCBISBHIVSFSIL-GOSISDBHSA-N 0 3 337.423 3.329 40 0 EGABHN COc1ccc([C@@H](C)NC[C@@H]2Cc3ccccc3O2)cc1NC(C)=O ZINC000096476515 454362921 /nfs/dbraw/zinc/36/29/21/454362921.db2.gz XBMUGDYQLUDHJJ-DYVFJYSZSA-N 0 3 340.423 3.308 40 0 EGABHN COc1cccc(-c2noc([C@H]3CCCN3C3CCOCC3)n2)c1 ZINC000097103463 454407607 /nfs/dbraw/zinc/40/76/07/454407607.db2.gz JCVKPNXTJPRGAV-MRXNPFEDSA-N 0 3 329.400 3.061 40 0 EGABHN CCCN1CCCN(C(=O)c2nc(C)oc2-c2ccccc2)CC1 ZINC000097376270 454434578 /nfs/dbraw/zinc/43/45/78/454434578.db2.gz DGMYTLGXCOZHSM-UHFFFAOYSA-N 0 3 327.428 3.208 40 0 EGABHN COC(=O)[C@@H]1CN(Cc2ccccc2)CCc2c3ccccc3[nH]c21 ZINC000137586977 454783229 /nfs/dbraw/zinc/78/32/29/454783229.db2.gz BLROAGZNDOJDHY-GOSISDBHSA-N 0 3 334.419 3.483 40 0 EGABHN CCc1cc(C(=O)NCC2(N3CCCCC3)CCOCC2)oc1CC ZINC000125508159 454828695 /nfs/dbraw/zinc/82/86/95/454828695.db2.gz ZFLOWXMIRKRQGU-UHFFFAOYSA-N 0 3 348.487 3.169 40 0 EGABHN Cn1ccnc1[C@H](NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC1 ZINC000127633139 454983246 /nfs/dbraw/zinc/98/32/46/454983246.db2.gz DYVQBLGENUZNRC-SCLBCKFNSA-N 0 3 346.425 3.266 40 0 EGABHN COc1cccc([C@@H](O)CNCc2ccc3c(c2)CC(C)(C)O3)c1 ZINC000237300008 455170388 /nfs/dbraw/zinc/17/03/88/455170388.db2.gz WNNHKXNBSFCIKN-SFHVURJKSA-N 0 3 327.424 3.232 40 0 EGABHN CCn1cncc1CN1C[C@@H]2CCC[C@](O)(c3ccc(F)cc3)[C@H]2C1 ZINC000249701603 455767905 /nfs/dbraw/zinc/76/79/05/455767905.db2.gz YQYYLUYPHMUQTK-YSSFQJQWSA-N 0 3 343.446 3.162 40 0 EGABHN CN(CCSCc1cc(=O)n2ccccc2n1)Cc1ccccc1 ZINC000193629783 455768586 /nfs/dbraw/zinc/76/85/86/455768586.db2.gz FVQOBJLOKAJDFD-UHFFFAOYSA-N 0 3 339.464 3.060 40 0 EGABHN Cn1nccc1CCN1CCC(c2nc3ccccc3s2)CC1 ZINC000253421092 455844373 /nfs/dbraw/zinc/84/43/73/455844373.db2.gz PTLNBGJCDMGGCV-UHFFFAOYSA-N 0 3 326.469 3.452 40 0 EGABHN C[C@@H](C[S@](C)=O)N(C)C1CC(c2ccc(Br)cc2)C1 ZINC000194482703 455848343 /nfs/dbraw/zinc/84/83/43/455848343.db2.gz CJCPVIKUBMXCIW-OPSAXKSESA-N 0 3 344.318 3.394 40 0 EGABHN CNc1cc(C)nc([C@H]2CCN(C(=O)c3cc(CC(C)C)no3)C2)c1 ZINC000257303470 455886118 /nfs/dbraw/zinc/88/61/18/455886118.db2.gz SHJKBRWNAUKYIC-AWEZNQCLSA-N 0 3 342.443 3.248 40 0 EGABHN Cc1nc(Nc2cccc(C3CCN(CCO)CC3)n2)sc1C ZINC000257309758 455887245 /nfs/dbraw/zinc/88/72/45/455887245.db2.gz UCHBVMNNZWFWSB-UHFFFAOYSA-N 0 3 332.473 3.070 40 0 EGABHN Cn1cc(CN2CCC(c3ccnc(Nc4ccccn4)c3)CC2)cn1 ZINC000257306338 455888132 /nfs/dbraw/zinc/88/81/32/455888132.db2.gz STWMVVHBJLYCHM-UHFFFAOYSA-N 0 3 348.454 3.333 40 0 EGABHN CCCCc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C)C3)[nH]n1 ZINC000257324036 455892061 /nfs/dbraw/zinc/89/20/61/455892061.db2.gz WMWQIURLSPJPMG-ZNWBIBPKSA-N 0 3 344.503 3.230 40 0 EGABHN CN(C)c1c(Cl)cccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000195532167 455981524 /nfs/dbraw/zinc/98/15/24/455981524.db2.gz ALRWJEQXQKPAGG-OLZOCXBDSA-N 0 3 336.867 3.106 40 0 EGABHN Cc1ncsc1CN(C)C[C@@H]1CCN(c2noc(C(C)(C)C)n2)C1 ZINC000225604051 456097103 /nfs/dbraw/zinc/09/71/03/456097103.db2.gz RBFSUYAIJKNJNW-ZDUSSCGKSA-N 0 3 349.504 3.090 40 0 EGABHN CCOC1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCCCC1 ZINC000225708947 456106098 /nfs/dbraw/zinc/10/60/98/456106098.db2.gz SYBOVBRSKZCQQI-UHFFFAOYSA-N 0 3 334.460 3.305 40 0 EGABHN O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1NCc1ccccn1 ZINC000585288588 459833340 /nfs/dbraw/zinc/83/33/40/459833340.db2.gz FHVOXMKKXIIJJT-RCCFBDPRSA-N 0 3 332.831 3.186 40 0 EGABHN OCC1(c2ccccc2)CCN(Cc2ccc3nccnc3c2)CC1 ZINC000639203809 461799529 /nfs/dbraw/zinc/79/95/29/461799529.db2.gz GMOSMGJOGBZQNO-UHFFFAOYSA-N 0 3 333.435 3.156 40 0 EGABHN CCC[C@@H](C(=O)NC(C)(C)CN1CCCCC1)n1nc(C)cc1C ZINC000019501808 202008266 /nfs/dbraw/zinc/00/82/66/202008266.db2.gz DGOYDIQXHPHVOL-KRWDZBQOSA-N 0 3 334.508 3.222 40 0 EGABHN CN1CCC[C@@H](c2ncc3c(n2)CCN(CC2CCCCC2)C3)C1 ZINC000019588662 202012390 /nfs/dbraw/zinc/01/23/90/202012390.db2.gz ZSHSPVLIZXLEBA-QGZVFWFLSA-N 0 3 328.504 3.224 40 0 EGABHN CN1CCC[C@H](c2ncc3c(n2)CCN(CC2CCCCC2)C3)C1 ZINC000019588664 202013861 /nfs/dbraw/zinc/01/38/61/202013861.db2.gz ZSHSPVLIZXLEBA-KRWDZBQOSA-N 0 3 328.504 3.224 40 0 EGABHN COCCN1CCC([C@H]2CCCCN(Cc3ccccc3)C2=O)CC1 ZINC000019703716 202017256 /nfs/dbraw/zinc/01/72/56/202017256.db2.gz RRUWSKLKBUJUQR-HXUWFJFHSA-N 0 3 344.499 3.174 40 0 EGABHN COc1ccc(OC)c([C@H](C)NC(=O)CN(CC(C)C)C2CC2)c1 ZINC000027110468 202153181 /nfs/dbraw/zinc/15/31/81/202153181.db2.gz YNSXITYDSVONQS-AWEZNQCLSA-N 0 3 334.460 3.001 40 0 EGABHN Cc1ccc(CC(=O)NCC(C)(C)N[C@H](C)c2ccccc2)cn1 ZINC000068385907 202206290 /nfs/dbraw/zinc/20/62/90/202206290.db2.gz VWJHFQLSKMZKJM-MRXNPFEDSA-N 0 3 325.456 3.178 40 0 EGABHN CCc1ccc([C@H](CNC(=O)/C=C/c2csc(C)n2)N(C)C)cc1 ZINC000032734226 202231456 /nfs/dbraw/zinc/23/14/56/202231456.db2.gz SIXRNEHYXWRACB-ZGKFYVQTSA-N 0 3 343.496 3.446 40 0 EGABHN Cc1cc(F)ccc1CN[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000069170955 202271223 /nfs/dbraw/zinc/27/12/23/202271223.db2.gz NZKIQBMPGIYSSE-NRFANRHFSA-N 0 3 341.474 3.212 40 0 EGABHN Cc1ccc(-c2n[nH]cc2CNCc2ccccc2-n2ccnc2)o1 ZINC000078612726 202398606 /nfs/dbraw/zinc/39/86/06/202398606.db2.gz FNDBYAOWMHAEEP-UHFFFAOYSA-N 0 3 333.395 3.454 40 0 EGABHN Cc1cncc(CNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC000225790047 242037654 /nfs/dbraw/zinc/03/76/54/242037654.db2.gz YLUGXTBWYVCLAN-QGZVFWFLSA-N 0 3 346.862 3.146 40 0 EGABHN Cc1ncc(CN(C)C)c([C@H]2CCCN2CCOc2ccccc2)n1 ZINC000257202820 244123930 /nfs/dbraw/zinc/12/39/30/244123930.db2.gz ANOPCTOSGDBELV-LJQANCHMSA-N 0 3 340.471 3.063 40 0 EGABHN CNc1cc(C)nc([C@H]2CN(C(=O)CCc3cccs3)CCO2)c1 ZINC000257211156 244148917 /nfs/dbraw/zinc/14/89/17/244148917.db2.gz BXSBEUXSEYHCHH-QGZVFWFLSA-N 0 3 345.468 3.026 40 0 EGABHN Cc1cc(N(C)C)cc([C@H]2CCN(Cc3nccn3C(C)C)C2)n1 ZINC000257230893 244213609 /nfs/dbraw/zinc/21/36/09/244213609.db2.gz GEKROWIXOSFKPU-INIZCTEOSA-N 0 3 327.476 3.223 40 0 EGABHN Cc1cccc(Nc2nccnc2[C@@H]2CCCN(Cc3cnc[nH]3)C2)n1 ZINC000257234355 244223328 /nfs/dbraw/zinc/22/33/28/244223328.db2.gz GTDWKRHDNQNSTG-OAHLLOKOSA-N 0 3 349.442 3.026 40 0 EGABHN Cc1cc(NC(=O)CCc2cc(C)nc([C@@H]3CCCN3C)c2)no1 ZINC000072360548 203205720 /nfs/dbraw/zinc/20/57/20/203205720.db2.gz JVBSCYVVGXSQML-INIZCTEOSA-N 0 3 328.416 3.024 40 0 EGABHN O=c1cc([C@H]2CCC[N@H+](Cc3ccccc3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392892 203213288 /nfs/dbraw/zinc/21/32/88/203213288.db2.gz UDMLNLGQZYQFOB-SFHVURJKSA-N 0 3 346.434 3.212 40 0 EGABHN O=c1cc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392892 203213292 /nfs/dbraw/zinc/21/32/92/203213292.db2.gz UDMLNLGQZYQFOB-SFHVURJKSA-N 0 3 346.434 3.212 40 0 EGABHN C[C@@H]1CCCN(CCNC(=O)c2ccc(Br)cc2F)C1 ZINC000046878906 204336628 /nfs/dbraw/zinc/33/66/28/204336628.db2.gz UTQGSUXHNXZKJW-LLVKDONJSA-N 0 3 343.240 3.050 40 0 EGABHN C[C@H]1CCCN(CCNC(=O)c2ccc(F)cc2Br)C1 ZINC000046878548 204336881 /nfs/dbraw/zinc/33/68/81/204336881.db2.gz OATBFQVOUFNOMA-NSHDSACASA-N 0 3 343.240 3.050 40 0 EGABHN CN(C)CCSc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC000095403938 218339265 /nfs/dbraw/zinc/33/92/65/218339265.db2.gz YTYZVMLBUZLTFO-IYBDPMFKSA-N 0 3 333.501 3.460 40 0 EGABHN CCN(CC)CCOC(=O)[C@H](c1ccccc1)[C@H](O)[C@H]1CC=CCC1 ZINC000005572734 276327492 /nfs/dbraw/zinc/32/74/92/276327492.db2.gz HRCOKXUTLNEIOQ-XUVXKRRUSA-N 0 3 345.483 3.372 40 0 EGABHN CCN(CC)CCOC(=O)[C@H](c1ccccc1)C1(O)CCCCC1 ZINC000001646367 276327520 /nfs/dbraw/zinc/32/75/20/276327520.db2.gz KTWQAWSQSOISLN-SFHVURJKSA-N 0 3 333.472 3.350 40 0 EGABHN Cc1ccc2c(c1)CN(C(=O)C1CCCCC1)[C@H](CN(C)C)CO2 ZINC000012406577 278875415 /nfs/dbraw/zinc/87/54/15/278875415.db2.gz DXVIGPRWTHAYMZ-GOSISDBHSA-N 0 3 330.472 3.227 40 0 EGABHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Nc1c(F)cc(F)cc1Cl ZINC000096487575 454367571 /nfs/dbraw/zinc/36/75/71/454367571.db2.gz FDJVTCHRMWLIHS-ZANVPECISA-N 0 3 331.794 3.422 40 0 EGABHN Cc1cc(Cl)ccc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000006501104 452948508 /nfs/dbraw/zinc/94/85/08/452948508.db2.gz LUVDTOQNWMQDCD-SFHVURJKSA-N 0 3 331.843 3.446 40 0 EGABHN Cc1cc2nc(C3CCN(Cc4cccc(F)c4)CC3)cc(N)n2n1 ZINC000012121489 453345767 /nfs/dbraw/zinc/34/57/67/453345767.db2.gz RFBZOIDWVZHDDW-UHFFFAOYSA-N 0 3 339.418 3.139 40 0 EGABHN COc1ccc(CN(Cc2ccccc2)C[C@H]2CCCO2)cc1CO ZINC000012186923 453347876 /nfs/dbraw/zinc/34/78/76/453347876.db2.gz VTCBHWXSVKPTLJ-HXUWFJFHSA-N 0 3 341.451 3.369 40 0 EGABHN CCOC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCNC1 ZINC000012275183 453354479 /nfs/dbraw/zinc/35/44/79/453354479.db2.gz QJQYBKPACUHJHB-IBGZPJMESA-N 0 3 328.412 3.125 40 0 EGABHN COc1ccc(CN(Cc2sccc2C)C[C@@H](C)O)cc1OC ZINC000013991427 453495224 /nfs/dbraw/zinc/49/52/24/453495224.db2.gz UYCGZSQJIJPWHI-CQSZACIVSA-N 0 3 335.469 3.457 40 0 EGABHN O[C@@H](CO[C@@H]1CCCc2ccccc21)CN1CCc2ccccc2C1 ZINC000014138613 453510839 /nfs/dbraw/zinc/51/08/39/453510839.db2.gz TVLVXPUNKAWTML-IFMALSPDSA-N 0 3 337.463 3.500 40 0 EGABHN O=C1CCCC[C@@H]2[C@H](CCN2Cc2ccc(-c3ccccn3)cc2)N1 ZINC000019713219 453658277 /nfs/dbraw/zinc/65/82/77/453658277.db2.gz DQPCCTOOXXTJCV-VQTJNVASSA-N 0 3 335.451 3.382 40 0 EGABHN COc1cc(CN(C)C[C@H](O)c2ccccc2)ccc1OC(F)F ZINC000025702285 453783398 /nfs/dbraw/zinc/78/33/98/453783398.db2.gz XEZVHACTMHITCR-HNNXBMFYSA-N 0 3 337.366 3.462 40 0 EGABHN CCCN1C[C@H](C[S@@](C)=O)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000031456825 453847741 /nfs/dbraw/zinc/84/77/41/453847741.db2.gz WOIHSNDTPKFAJW-NBNYRAQESA-N 0 3 330.497 3.287 40 0 EGABHN CCOc1ccc(N2C(=O)C[C@H](N[C@H]3CCC[C@H](C)[C@@H]3C)C2=O)cc1 ZINC000033932255 453918386 /nfs/dbraw/zinc/91/83/86/453918386.db2.gz UYNYFZVAQXLIGE-USJZOSNVSA-N 0 3 344.455 3.132 40 0 EGABHN CC(C)c1cc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)on1 ZINC000070766338 454174422 /nfs/dbraw/zinc/17/44/22/454174422.db2.gz FKKZHCYRACTOIJ-UHFFFAOYSA-N 0 3 331.416 3.128 40 0 EGABHN COc1ccc([C@@H](C)NCCC(=O)Nc2ccc(C)cn2)cc1F ZINC000095422401 454207880 /nfs/dbraw/zinc/20/78/80/454207880.db2.gz IZAMHXVHTVBOQL-CYBMUJFWSA-N 0 3 331.391 3.217 40 0 EGABHN Cc1ccc(CN2CCC3(C[C@H](c4cnn(C)c4)CO3)CC2)s1 ZINC000096047796 454270362 /nfs/dbraw/zinc/27/03/62/454270362.db2.gz UOMVEPXDFWEPHA-HNNXBMFYSA-N 0 3 331.485 3.329 40 0 EGABHN Cc1ccc(CN2CCC3(CCC(=O)N3Cc3ccncc3)CC2)o1 ZINC000096049393 454271241 /nfs/dbraw/zinc/27/12/41/454271241.db2.gz POPVUASNXWTKKV-UHFFFAOYSA-N 0 3 339.439 3.140 40 0 EGABHN CNC(=O)C[C@H]1CC2(CCN(Cc3ccco3)CC2)c2ccccc21 ZINC000096052562 454272936 /nfs/dbraw/zinc/27/29/36/454272936.db2.gz BOBNQSVSNVAHQV-INIZCTEOSA-N 0 3 338.451 3.437 40 0 EGABHN c1sc([C@H]2C[C@@H]3CCN(C4CCOCC4)C[C@H]3O2)nc1C1CC1 ZINC000096070613 454278278 /nfs/dbraw/zinc/27/82/78/454278278.db2.gz PAILLNUVCSKOJP-IAOVAPTHSA-N 0 3 334.485 3.351 40 0 EGABHN Cc1ccc(CN2CC[C@@H]3O[C@@H](COCc4cccnc4)CC[C@@H]32)o1 ZINC000096064798 454278772 /nfs/dbraw/zinc/27/87/72/454278772.db2.gz RWWAZNRHVGVUKQ-AABGKKOBSA-N 0 3 342.439 3.322 40 0 EGABHN Cc1cccc(CN[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)n1 ZINC000096079731 454279696 /nfs/dbraw/zinc/27/96/96/454279696.db2.gz QURLTQGQIZPDBD-IBGZPJMESA-N 0 3 337.467 3.468 40 0 EGABHN Cc1cc(CN2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2ccccn2)n(C)n1 ZINC000096081933 454280537 /nfs/dbraw/zinc/28/05/37/454280537.db2.gz UGLYUNRBHCRXEI-YQVWRLOYSA-N 0 3 339.487 3.084 40 0 EGABHN CCN1CCC2(CC1)C[C@H](Nc1ncc(F)cn1)c1ccccc1O2 ZINC000096079756 454280655 /nfs/dbraw/zinc/28/06/55/454280655.db2.gz KPZWLZJWJNNXKR-INIZCTEOSA-N 0 3 342.418 3.406 40 0 EGABHN Cc1nc(CN2C[C@@]3(CCN(Cc4cccs4)C3)CC2=O)cs1 ZINC000096239363 454310889 /nfs/dbraw/zinc/31/08/89/454310889.db2.gz GDOLMMFKDZAJLY-KRWDZBQOSA-N 0 3 347.509 3.138 40 0 EGABHN CN1CCC[C@]2(C1)CN(Cc1ccc(C(F)(F)F)cc1)CCO2 ZINC000096268595 454314908 /nfs/dbraw/zinc/31/49/08/454314908.db2.gz QCBSLZJODUVFDU-INIZCTEOSA-N 0 3 328.378 3.002 40 0 EGABHN COc1ccc2c3c1O[C@]1(C)C=C(Cl)C=C4[C@@H](C2)N(C)CC[C@@]341 ZINC000096316377 454318510 /nfs/dbraw/zinc/31/85/10/454318510.db2.gz ZOKWVYUPBVGDOC-ZMYBRWDISA-N 0 3 329.827 3.407 40 0 biogenic,in-vitro EGABHN C[C@@H](Sc1ccccn1)C(=O)N1CCC[C@@H](N2CCCCC2)C1 ZINC000096461106 454359428 /nfs/dbraw/zinc/35/94/28/454359428.db2.gz YINHQZOOPVGNOS-HZPDHXFCSA-N 0 3 333.501 3.039 40 0 EGABHN COc1ccc(NC(=O)C[C@@H](C)NCc2sc(C)nc2C)cc1 ZINC000096478500 454364069 /nfs/dbraw/zinc/36/40/69/454364069.db2.gz XCTRDPSJNXNVDV-LLVKDONJSA-N 0 3 333.457 3.275 40 0 EGABHN O=S1(=O)CCC[C@H](NCCc2cccc(-c3ccccc3)c2)C1 ZINC000096491695 454368294 /nfs/dbraw/zinc/36/82/94/454368294.db2.gz AJBFMIOYDMTPMJ-IBGZPJMESA-N 0 3 329.465 3.063 40 0 EGABHN CC(=O)NCCCN[C@H](C)c1cc2cc(Br)ccc2o1 ZINC000096493335 454370133 /nfs/dbraw/zinc/37/01/33/454370133.db2.gz LSVGPCNBCHNNSX-SNVBAGLBSA-N 0 3 339.233 3.372 40 0 EGABHN CN(C)CCOc1ccc(NC(=O)c2ncoc2-c2ccco2)cc1 ZINC000079309441 454395784 /nfs/dbraw/zinc/39/57/84/454395784.db2.gz HJQHGQLNSUNCGS-UHFFFAOYSA-N 0 3 341.367 3.127 40 0 EGABHN O=c1[nH]c2ccccc2cc1CN(CCO)[C@H]1CCCc2ccccc21 ZINC000079311575 454395834 /nfs/dbraw/zinc/39/58/34/454395834.db2.gz KCTIKPOGLMSODE-NRFANRHFSA-N 0 3 348.446 3.400 40 0 EGABHN O=C(Nc1ccccc1OC1CCCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000102716756 454517540 /nfs/dbraw/zinc/51/75/40/454517540.db2.gz SHJHKPSQVLTVJC-MRXNPFEDSA-N 0 3 341.455 3.486 40 0 EGABHN CN1CCC[C@@H](CNC(=O)NCc2ccco2)[C@@H]1c1cccs1 ZINC000080564622 454598932 /nfs/dbraw/zinc/59/89/32/454598932.db2.gz IBICKUORQFEJNB-XJKSGUPXSA-N 0 3 333.457 3.223 40 0 EGABHN COc1ccc(-c2noc([C@H]3CCCN3C3CCOCC3)n2)cc1 ZINC000125456331 454824161 /nfs/dbraw/zinc/82/41/61/454824161.db2.gz FNRXOUFSOMDYJT-MRXNPFEDSA-N 0 3 329.400 3.061 40 0 EGABHN C[C@@H]1CCCN(C(=O)CN[C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000110706924 454852279 /nfs/dbraw/zinc/85/22/79/454852279.db2.gz POCLFSSXHASQBC-ZHALLVOQSA-N 0 3 330.472 3.002 40 0 EGABHN COc1ccc(C)cc1CN1C[C@@H]2CC[C@](O)(c3ccccn3)[C@H]2C1 ZINC000247906336 455653802 /nfs/dbraw/zinc/65/38/02/455653802.db2.gz KEIJZPQCLZFUQA-DJPFJPOOSA-N 0 3 338.451 3.128 40 0 EGABHN c1ccc2c(c1)NCCC[C@H]2NCc1ccnc(O[C@H]2CCOC2)c1 ZINC000193063794 455740820 /nfs/dbraw/zinc/74/08/20/455740820.db2.gz MIFREKNKZCZACN-QFBILLFUSA-N 0 3 339.439 3.286 40 0 EGABHN Cc1cccc(Nc2cnc([C@H]3CCCN(Cc4cnc[nH]4)C3)cn2)n1 ZINC000257305318 455886702 /nfs/dbraw/zinc/88/67/02/455886702.db2.gz SPKDBHUXGDVDOA-HNNXBMFYSA-N 0 3 349.442 3.026 40 0 EGABHN Cc1nc(C(=O)N2CCCC[C@H]3[C@@H]2[C@H](c2ccccc2)CN3C)co1 ZINC000257328125 455892760 /nfs/dbraw/zinc/89/27/60/455892760.db2.gz XEGTWCVXOAVGBJ-WDSOQIARSA-N 0 3 339.439 3.076 40 0 EGABHN C[C@H](NCC[C@H](C)[S@](C)=O)c1ccc(Br)cc1F ZINC000215575499 456026410 /nfs/dbraw/zinc/02/64/10/456026410.db2.gz XRPXKFAWVUUINM-RAALSFIWSA-N 0 3 336.270 3.396 40 0 EGABHN COCC[C@H]1CCOC12CCN(Cc1cc(OC)cc(OC)c1)CC2 ZINC000585105481 459825001 /nfs/dbraw/zinc/82/50/01/459825001.db2.gz XQDCJCSATWGULM-KRWDZBQOSA-N 0 3 349.471 3.111 40 0 EGABHN Cc1nc([C@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)[n-]c(=O)c1C ZINC000019555375 202011069 /nfs/dbraw/zinc/01/10/69/202011069.db2.gz CYFCEWZIPWHXKF-SFHVURJKSA-N 0 3 348.450 3.315 40 0 EGABHN Cc1nc([C@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)[n-]c(=O)c1C ZINC000019555375 202011073 /nfs/dbraw/zinc/01/10/73/202011073.db2.gz CYFCEWZIPWHXKF-SFHVURJKSA-N 0 3 348.450 3.315 40 0 EGABHN COc1cc(CNCCN(C)C)ccc1OCc1ccc(C)cc1 ZINC000022074915 202078994 /nfs/dbraw/zinc/07/89/94/202078994.db2.gz VXCXPIFSEJIOHS-UHFFFAOYSA-N 0 3 328.456 3.234 40 0 EGABHN O=C(NCc1ccco1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220982 202167195 /nfs/dbraw/zinc/16/71/95/202167195.db2.gz NLZRUFGOXITTKK-HNNXBMFYSA-N 0 3 332.831 3.461 40 0 EGABHN c1cc(-c2noc([C@@H]3CCCN3CC3CC3)n2)cc(N2CCCC2)n1 ZINC000035426347 202302918 /nfs/dbraw/zinc/30/29/18/202302918.db2.gz WMBIGUPHOCFGDS-INIZCTEOSA-N 0 3 339.443 3.279 40 0 biogenic,in-vitro EGABHN Cc1nn(CCO)c(C)c1CN[C@H]1CCC(C)(C)c2ccccc21 ZINC000078553345 202395849 /nfs/dbraw/zinc/39/58/49/202395849.db2.gz QMNBLCAFQXKJCT-IBGZPJMESA-N 0 3 327.472 3.395 40 0 EGABHN COc1ccc(OC[C@@H](O)CN2CCC(C)CC2)c(C(C)(C)C)c1 ZINC000026781130 212534819 /nfs/dbraw/zinc/53/48/19/212534819.db2.gz HAXDXPSLJFTLMP-INIZCTEOSA-N 0 3 335.488 3.464 40 0 EGABHN COc1ccccc1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000023128066 212352478 /nfs/dbraw/zinc/35/24/78/212352478.db2.gz KNKGHEIGRXMTJP-UHFFFAOYSA-N 0 3 344.480 3.399 40 0 EGABHN CCc1ccc(CC(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000225877295 242067720 /nfs/dbraw/zinc/06/77/20/242067720.db2.gz FTTCCGGUAAHMTD-UHFFFAOYSA-N 0 3 336.479 3.356 40 0 EGABHN O=c1cc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392893 203214086 /nfs/dbraw/zinc/21/40/86/203214086.db2.gz UDMLNLGQZYQFOB-GOSISDBHSA-N 0 3 346.434 3.212 40 0 EGABHN O=c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392893 203214088 /nfs/dbraw/zinc/21/40/88/203214088.db2.gz UDMLNLGQZYQFOB-GOSISDBHSA-N 0 3 346.434 3.212 40 0 EGABHN C[C@@H](c1nc(C2CC2)no1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000266437475 248300611 /nfs/dbraw/zinc/30/06/11/248300611.db2.gz VMVUCMGSPQHEHB-AWEZNQCLSA-N 0 3 349.438 3.378 40 0 EGABHN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 ZINC000222773581 285179539 /nfs/dbraw/zinc/17/95/39/285179539.db2.gz ZVSIYQKXLZOKQG-MSOLQXFVSA-N 0 3 349.463 3.260 40 0 EGABHN c1ccc2c(c1)[C@H](N[C@@H]1CCOC1)CC21CCN(c2cccnc2)CC1 ZINC000096079015 285523829 /nfs/dbraw/zinc/52/38/29/285523829.db2.gz GXVCHHMBYMRFIC-DYESRHJHSA-N 0 3 349.478 3.443 40 0 EGABHN O[C@]1(CN[C@H]2CCc3c2c(Br)ccc3F)CCSC1 ZINC000089704426 275060272 /nfs/dbraw/zinc/06/02/72/275060272.db2.gz CSYUPDLWSIWQFL-JSGCOSHPSA-N 0 3 346.265 3.033 40 0 EGABHN Cc1ccc2c(c1)CN(Cc1cccc(F)c1)[C@@H](CN(C)C)CO2 ZINC000019219386 281070992 /nfs/dbraw/zinc/07/09/92/281070992.db2.gz RXJBWSOUBUCEQV-IBGZPJMESA-N 0 3 328.431 3.459 40 0 EGABHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C/C=C/c1ccc(F)cc1 ZINC000119479642 323216639 /nfs/dbraw/zinc/21/66/39/323216639.db2.gz MJBWKJGZBBBVHL-XGACYXMMSA-N 0 3 348.443 3.179 40 0 EGABHN CN1CC[C@H](CSC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000001710800 452673992 /nfs/dbraw/zinc/67/39/92/452673992.db2.gz WVGFMVMRLGYKNG-INIZCTEOSA-N 0 3 341.476 3.134 40 0 EGABHN CCC(=O)O[C@H](CN)[C@@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000003845397 452785374 /nfs/dbraw/zinc/78/53/74/452785374.db2.gz FLMGZJLLDPIYRL-PKOBYXMFSA-N 0 3 325.408 3.324 40 0 EGABHN CN1CCC[C@H](OC(=O)[C@@H](c2ccccc2)C2(O)CCCCC2)C1 ZINC000005119315 452838006 /nfs/dbraw/zinc/83/80/06/452838006.db2.gz PPTLBEHNSNNAFL-ZWKOTPCHSA-N 0 3 331.456 3.103 40 0 EGABHN c1ccc(CN2CCC(NCc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000006552126 452952012 /nfs/dbraw/zinc/95/20/12/452952012.db2.gz RZMMMWUYJOSSMI-UHFFFAOYSA-N 0 3 348.450 3.491 40 0 EGABHN CC[C@@H](CO)NCc1cccc(OC)c1OCc1ccccc1F ZINC000008326396 453191817 /nfs/dbraw/zinc/19/18/17/453191817.db2.gz MZUUMXFTUINPAY-INIZCTEOSA-N 0 3 333.403 3.274 40 0 EGABHN COc1ccc(CN2CC[C@@H](O)[C@@H](C)C2)cc1Cc1c(C)noc1C ZINC000012188264 453350707 /nfs/dbraw/zinc/35/07/07/453350707.db2.gz IBMUQVSENUPZIY-ORAYPTAESA-N 0 3 344.455 3.094 40 0 EGABHN C[C@H](NCc1ccc(OCCO)cc1)c1ccc2c(c1)OCCCO2 ZINC000012238322 453352698 /nfs/dbraw/zinc/35/26/98/453352698.db2.gz OQNSEWRJXJDPFQ-HNNXBMFYSA-N 0 3 343.423 3.070 40 0 EGABHN Cc1ccc([C@@H](O)CN2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC000012292156 453354138 /nfs/dbraw/zinc/35/41/38/453354138.db2.gz XDOOTOYTIXKVAN-IBGZPJMESA-N 0 3 329.415 3.151 40 0 EGABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)Cc1cccc(C)c1 ZINC000013632105 453477085 /nfs/dbraw/zinc/47/70/85/453477085.db2.gz GOBTYRVSKNMOGR-SFHVURJKSA-N 0 3 338.517 3.069 40 0 EGABHN Cc1ccc([C@@H](O)CN2CCC(Oc3cccnc3)CC2)c(C)c1 ZINC000019132384 453654012 /nfs/dbraw/zinc/65/40/12/453654012.db2.gz LGCFFFCOYDXPAA-FQEVSTJZSA-N 0 3 326.440 3.275 40 0 EGABHN O=C(NCC1CCN(c2ccncc2)CC1)c1cccc2cc[nH]c21 ZINC000089393705 454143856 /nfs/dbraw/zinc/14/38/56/454143856.db2.gz FFGBFGWKRHYSIU-UHFFFAOYSA-N 0 3 334.423 3.209 40 0 EGABHN C[C@H]1C[C@@H](OC[C@H](O)CN(CCO)Cc2ccccc2)CC(C)(C)C1 ZINC000095532672 454230818 /nfs/dbraw/zinc/23/08/18/454230818.db2.gz FKQLTXLKHRPMII-DFQSSKMNSA-N 0 3 349.515 3.073 40 0 EGABHN Cc1ccc(CN2CCC3(C[C@@H](c4cnn(C)c4)CO3)CC2)s1 ZINC000096047797 454270029 /nfs/dbraw/zinc/27/00/29/454270029.db2.gz UOMVEPXDFWEPHA-OAHLLOKOSA-N 0 3 331.485 3.329 40 0 EGABHN Fc1ccc(CN2CC[C@]3(C[C@H](Nc4ncccc4F)CO3)C2)cc1 ZINC000096047645 454270236 /nfs/dbraw/zinc/27/02/36/454270236.db2.gz VFYGVLVBNRIIJU-LPHOPBHVSA-N 0 3 345.393 3.205 40 0 EGABHN Cc1ccc(CN2CC[C@]3(C2)CCCN(c2ncccn2)C3)s1 ZINC000096047154 454270457 /nfs/dbraw/zinc/27/04/57/454270457.db2.gz QPHAXXMFGXZOMX-SFHVURJKSA-N 0 3 328.485 3.339 40 0 EGABHN CN(Cc1ccco1)[C@@H]1CCC12CCN(C(=O)c1ccoc1)CC2 ZINC000096051576 454272880 /nfs/dbraw/zinc/27/28/80/454272880.db2.gz JETXWKFNGLGHRN-QGZVFWFLSA-N 0 3 328.412 3.389 40 0 EGABHN COC[C@H]1CN(CC2CCOCC2)Cc2cn(CC3CCCC3)nc21 ZINC000096059999 454275822 /nfs/dbraw/zinc/27/58/22/454275822.db2.gz OTIFKQXQXCEPTF-LJQANCHMSA-N 0 3 347.503 3.046 40 0 EGABHN Cn1cc(CN2CCCC23CCN(c2ccccc2F)CC3)cn1 ZINC000096075334 454280207 /nfs/dbraw/zinc/28/02/07/454280207.db2.gz FIERFYNURIGOBS-UHFFFAOYSA-N 0 3 328.435 3.194 40 0 EGABHN COc1cccc(CN2CCC3(C[C@@H](OCC4CC4)CO3)CC2)c1 ZINC000096106627 454285103 /nfs/dbraw/zinc/28/51/03/454285103.db2.gz ZBMJLULNFAJBQH-LJQANCHMSA-N 0 3 331.456 3.245 40 0 EGABHN Cc1cnc(N2CCC3(CC(N(C)Cc4ccccn4)C3)CC2)nc1 ZINC000096159264 454295709 /nfs/dbraw/zinc/29/57/09/454295709.db2.gz LDMGIICPVSAYMG-UHFFFAOYSA-N 0 3 337.471 3.061 40 0 EGABHN Cc1ccc(CN2CC[C@@H]3O[C@H](COc4cccnc4)CC[C@@H]32)o1 ZINC000096186115 454299298 /nfs/dbraw/zinc/29/92/98/454299298.db2.gz SKUBXAAHNKPYCJ-FHWLQOOXSA-N 0 3 328.412 3.184 40 0 EGABHN Cc1ncc([C@@H](C)NC[C@@H](c2ccccc2)N2CCOCC2)s1 ZINC000090401223 454301084 /nfs/dbraw/zinc/30/10/84/454301084.db2.gz SCDANNFCYZSZIO-PBHICJAKSA-N 0 3 331.485 3.176 40 0 EGABHN Cc1ncsc1CN1CC[C@]2(C1)C[C@H](Nc1ccccn1)CCO2 ZINC000096205966 454304284 /nfs/dbraw/zinc/30/42/84/454304284.db2.gz QFUJNZILBSMKKM-CRAIPNDOSA-N 0 3 344.484 3.082 40 0 EGABHN c1cc(CN2CCC3(CO[C@H](COCc4ccccn4)C3)CC2)co1 ZINC000096218306 454307913 /nfs/dbraw/zinc/30/79/13/454307913.db2.gz BCLMPLUKIZPTHV-IBGZPJMESA-N 0 3 342.439 3.263 40 0 EGABHN C[C@@H]1C[C@@H]1C(=O)N1CC[C@H](F)[C@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096241263 454311873 /nfs/dbraw/zinc/31/18/73/454311873.db2.gz ZLKROWIWYVFQCQ-VKZRIFJHSA-N 0 3 336.476 3.167 40 0 EGABHN Cc1cccc(CN2CCC3(C=C[C@@H](N4CCOCC4)CC3)CC2)n1 ZINC000096240269 454312108 /nfs/dbraw/zinc/31/21/08/454312108.db2.gz VWQSVLRIYQVYLY-HXUWFJFHSA-N 0 3 341.499 3.023 40 0 EGABHN c1csc(N2CCC(NCc3ccnc(OC4CCC4)c3)CC2)n1 ZINC000090912188 454350307 /nfs/dbraw/zinc/35/03/07/454350307.db2.gz JVMJQSUXQIFJCM-UHFFFAOYSA-N 0 3 344.484 3.228 40 0 EGABHN Cc1ccc2[nH]c([C@@H]3CCCN(C[C@H](O)COC(C)(C)C)C3)nc2c1 ZINC000096490644 454368481 /nfs/dbraw/zinc/36/84/81/454368481.db2.gz XKOYWPCBIOFVOA-CVEARBPZSA-N 0 3 345.487 3.227 40 0 EGABHN Cc1ccc2nc([C@@H]3CCCN(C[C@H](O)COC(C)(C)C)C3)[nH]c2c1 ZINC000096490644 454368487 /nfs/dbraw/zinc/36/84/87/454368487.db2.gz XKOYWPCBIOFVOA-CVEARBPZSA-N 0 3 345.487 3.227 40 0 EGABHN CC(C)(O)CN1CCc2c(cccc2NC(=O)C[C@@H]2C=CCC2)C1 ZINC000097372881 454434931 /nfs/dbraw/zinc/43/49/31/454434931.db2.gz NSNNDSHERLTDDG-OAHLLOKOSA-N 0 3 328.456 3.110 40 0 EGABHN Cc1c(NC(=O)N2CC[C@H](N3CC=CC3)C2)cccc1OC(F)F ZINC000102716471 454517649 /nfs/dbraw/zinc/51/76/49/454517649.db2.gz SMWFFJHVZXVXJW-ZDUSSCGKSA-N 0 3 337.370 3.074 40 0 EGABHN Cc1c([C@H](C)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1C(C)C ZINC000191285562 455474831 /nfs/dbraw/zinc/47/48/31/455474831.db2.gz KVEZFVINHICKCP-DZGCQCFKSA-N 0 3 336.480 3.432 40 0 EGABHN c1cc(CN2CC[C@@H]3[C@H](CC2)OCCN3c2cccnc2)cs1 ZINC000247952279 455658914 /nfs/dbraw/zinc/65/89/14/455658914.db2.gz KNYGNVSNACRDIW-MSOLQXFVSA-N 0 3 329.469 3.013 40 0 EGABHN CN1CC[C@@]2(c3ccccc3)CCN(C(=O)c3ccsc3)C[C@@H]12 ZINC000248161857 455690605 /nfs/dbraw/zinc/69/06/05/455690605.db2.gz XYEYHYGWKWWJAF-MJGOQNOKSA-N 0 3 326.465 3.236 40 0 EGABHN CN1CC=C(CNC(=O)Nc2ccc3nc(C4CC4)oc3c2)CC1 ZINC000272041481 455829372 /nfs/dbraw/zinc/82/93/72/455829372.db2.gz OSTYVAIATOGRLF-UHFFFAOYSA-N 0 3 326.400 3.089 40 0 EGABHN C(CN1CCC[C@H](c2nnc3n2CCC3)C1)SC1CCCCC1 ZINC000253396850 455839075 /nfs/dbraw/zinc/83/90/75/455839075.db2.gz KBGKHKLBRBZTGH-HNNXBMFYSA-N 0 3 334.533 3.470 40 0 EGABHN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)C[C@@H](N)c3ccccc3)C2)cc1 ZINC000195544231 455982509 /nfs/dbraw/zinc/98/25/09/455982509.db2.gz DONGDOLUPYITIL-XFQXTVEOSA-N 0 3 338.451 3.490 40 0 EGABHN COC1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCCCCC1 ZINC000225630512 456100352 /nfs/dbraw/zinc/10/03/52/456100352.db2.gz DQRRXCOXKYLZPH-UHFFFAOYSA-N 0 3 334.460 3.305 40 0 EGABHN CCCO[C@](C)(C(=O)Nc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000225671659 456102796 /nfs/dbraw/zinc/10/27/96/456102796.db2.gz KFJRXMMBYQXRCW-IBGZPJMESA-N 0 3 334.460 3.161 40 0 EGABHN CC[C@@H](NCCC(=O)N1CCc2ccccc2C1)c1c(C)noc1C ZINC000189188602 456250170 /nfs/dbraw/zinc/25/01/70/456250170.db2.gz NSAPUGHYSBBBFF-GOSISDBHSA-N 0 3 341.455 3.307 40 0 EGABHN Cc1ccc(C(=O)N2CCC[C@]3(CCN3C[C@@H]3CCCO3)C2)c(C)c1 ZINC000585102047 459824238 /nfs/dbraw/zinc/82/42/38/459824238.db2.gz OPLGIKQLYLIBCZ-RXVVDRJESA-N 0 3 342.483 3.163 40 0 EGABHN COc1ccc(CN[C@H]2CCC[C@@H](Oc3cccc(C)c3)[C@@H]2O)cc1 ZINC000585289196 459833109 /nfs/dbraw/zinc/83/31/09/459833109.db2.gz NUNJAUDNIYVZGV-PWRODBHTSA-N 0 3 341.451 3.454 40 0 EGABHN Cc1cnc(NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)s1 ZINC000618882008 460206212 /nfs/dbraw/zinc/20/62/12/460206212.db2.gz PPBSDOZHFPFDAQ-HIFRSBDPSA-N 0 3 330.457 3.409 40 0 EGABHN CC(C)n1c(Cl)nc2cc(C(=O)NCCN3CCCCC3)ccc21 ZINC000225988128 535043697 /nfs/dbraw/zinc/04/36/97/535043697.db2.gz FDKBXRFOVYKSOK-UHFFFAOYSA-N 0 3 348.878 3.486 40 0 EGABHN CC(C)CN1CCO[C@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1 ZINC000257254487 535128007 /nfs/dbraw/zinc/12/80/07/535128007.db2.gz KDGLPBRHBLYWPA-IBGZPJMESA-N 0 3 347.434 3.200 40 0 EGABHN COc1ccc(CN2CCN(C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)c(OC)c1 ZINC000224085566 547246426 /nfs/dbraw/zinc/24/64/26/547246426.db2.gz GYEMFVMJQAHSIM-YQVWRLOYSA-N 0 3 342.483 3.034 40 0 EGABHN c1cc(CN2CCC3(Cc4ncc(-c5cccnc5)n4C3)CC2)co1 ZINC000306124704 547459828 /nfs/dbraw/zinc/45/98/28/547459828.db2.gz BWZDBUSGKYCVOZ-UHFFFAOYSA-N 0 3 334.423 3.377 40 0 EGABHN Fc1ccc(CN2C[C@H]3Cn4c(-c5cccnc5)cnc4[C@@H]3C2)cc1 ZINC000306129615 547460021 /nfs/dbraw/zinc/46/00/21/547460021.db2.gz IIGCIKXSOAARGS-FUHWJXTLSA-N 0 3 334.398 3.313 40 0 EGABHN Clc1ccccc1CN1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019349348 202005674 /nfs/dbraw/zinc/00/56/74/202005674.db2.gz QPJMWFNXOIBNRF-QGZVFWFLSA-N 0 3 328.847 3.113 40 0 EGABHN CCC[C@@H](C(=O)NC(C)(C)CN1CCC(C)CC1)n1nc(C)cc1C ZINC000019501806 202008083 /nfs/dbraw/zinc/00/80/83/202008083.db2.gz AJKSMJIZIHPYDV-SFHVURJKSA-N 0 3 348.535 3.468 40 0 EGABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(-c2ccccc2Cl)o1 ZINC000019575928 202013932 /nfs/dbraw/zinc/01/39/32/202013932.db2.gz XNIGATOWDBZRCB-RRFJBIMHSA-N 0 3 346.858 3.239 40 0 EGABHN O=C(NCc1cccs1)NCC1CCN(Cc2ccco2)CC1 ZINC000038489585 202137205 /nfs/dbraw/zinc/13/72/05/202137205.db2.gz MGMFJJLOJLCUNP-UHFFFAOYSA-N 0 3 333.457 3.053 40 0 EGABHN C[C@H]1CN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C[C@H](C)O1 ZINC000036003881 202312269 /nfs/dbraw/zinc/31/22/69/202312269.db2.gz BTEPOPVDLPKRBZ-ULQDDVLXSA-N 0 3 338.451 3.265 40 0 EGABHN O=C(C1CCN(CCOC2CCCCCC2)CC1)N1CCCCC1 ZINC000077271557 202391625 /nfs/dbraw/zinc/39/16/25/202391625.db2.gz GEKIRVCLYJDOKB-UHFFFAOYSA-N 0 3 336.520 3.450 40 0 EGABHN Fc1cccc(-c2ncnc3c2CCN(Cc2cccnc2)CC3)c1 ZINC000096187647 203856068 /nfs/dbraw/zinc/85/60/68/203856068.db2.gz YTUDBSXUZOQOHC-UHFFFAOYSA-N 0 3 334.398 3.279 40 0 EGABHN COc1ccccc1CN1CCC2(CCC(=O)N(CC3CC3)C2)CC1 ZINC000108529873 204265985 /nfs/dbraw/zinc/26/59/85/204265985.db2.gz UDISHRJBJHCAMP-UHFFFAOYSA-N 0 3 342.483 3.310 40 0 EGABHN O=C(N[C@H](c1ccco1)c1ccccc1)NC1CCN(C2CC2)CC1 ZINC000045153471 204315855 /nfs/dbraw/zinc/31/58/55/204315855.db2.gz SGVAACHYVQICOE-IBGZPJMESA-N 0 3 339.439 3.295 40 0 EGABHN FC(F)(F)CN1CC[C@H](N[C@@H](c2ccccc2)c2ccncc2)C1 ZINC000095420998 218362126 /nfs/dbraw/zinc/36/21/26/218362126.db2.gz KFUKSQNHQYUDPH-IRXDYDNUSA-N 0 3 335.373 3.397 40 0 EGABHN COCCN1CC2(CCN(Cc3ccco3)CC2)c2ccccc21 ZINC000096078780 274025703 /nfs/dbraw/zinc/02/57/03/274025703.db2.gz JTMOGYPUNYBPRB-UHFFFAOYSA-N 0 3 326.440 3.280 40 0 EGABHN CCN(CC)Cc1nc(C2(O)CCN(CC(C)(C)C)CC2)cs1 ZINC000225421193 456081041 /nfs/dbraw/zinc/08/10/41/456081041.db2.gz KGCQRGUOYOFXQE-UHFFFAOYSA-N 0 3 339.549 3.314 40 0 biogenic,in-vitro EGABHN C[C@H]1CCN(C(=O)Nc2ccn(CCN(C)C)n2)[C@H](c2ccco2)C1 ZINC000097099178 323214578 /nfs/dbraw/zinc/21/45/78/323214578.db2.gz YMWJSNXPNPLHKF-GJZGRUSLSA-N 0 3 345.447 3.043 40 0 EGABHN CN1CCc2ncnc(Sc3ncc(-c4ccc(F)cc4)o3)c2C1 ZINC000240626646 455264680 /nfs/dbraw/zinc/26/46/80/455264680.db2.gz HIIZDOBXGUNQSL-UHFFFAOYSA-N 0 3 342.399 3.410 40 0 EGABHN CN1CCC[C@@H]1COC(=O)[C@@H](c1ccccc1)C1(O)CCCCC1 ZINC000004962058 452827239 /nfs/dbraw/zinc/82/72/39/452827239.db2.gz UNEGQFUYGINFAB-QZTJIDSGSA-N 0 3 331.456 3.103 40 0 EGABHN Clc1cccc(CN2CCC(c3[nH]nc4nccnc43)CC2)c1 ZINC000012228315 453350951 /nfs/dbraw/zinc/35/09/51/453350951.db2.gz QNJGEPZZIAUROR-UHFFFAOYSA-N 0 3 327.819 3.386 40 0 EGABHN CCn1ncc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)c1C ZINC000012276750 453354273 /nfs/dbraw/zinc/35/42/73/453354273.db2.gz NTPGRBZWAYBJHP-YOFSQIOKSA-N 0 3 343.446 3.365 40 0 EGABHN Cc1cc2nc([C@@H]3CCCN(Cc4ccccc4F)C3)cc(N)n2n1 ZINC000019129321 453654507 /nfs/dbraw/zinc/65/45/07/453654507.db2.gz BLVQRZJTILOHOJ-OAHLLOKOSA-N 0 3 339.418 3.139 40 0 EGABHN CC(=O)N1CC[C@H]2[C@H]1CCCCCN2Cc1c(C)nc2ccccn21 ZINC000019712329 453658464 /nfs/dbraw/zinc/65/84/64/453658464.db2.gz QAKNAOGXDYZKDM-ZWKOTPCHSA-N 0 3 340.471 3.008 40 0 EGABHN C[C@H]1CN(C)CCN1CC1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000085468201 454030102 /nfs/dbraw/zinc/03/01/02/454030102.db2.gz YSHFTKXIEHZZJP-SFHVURJKSA-N 0 3 349.563 3.221 40 0 EGABHN CS(=O)(=O)CCCCN1CCC[C@@H]1[C@@H]1CCCc2ccccc21 ZINC000095413943 454205750 /nfs/dbraw/zinc/20/57/50/454205750.db2.gz GMYMFWXGMSIVJE-RTBURBONSA-N 0 3 335.513 3.396 40 0 EGABHN c1coc(CN2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)c1 ZINC000096040170 454267110 /nfs/dbraw/zinc/26/71/10/454267110.db2.gz ISHJGZWJLXIHDY-WOJBJXKFSA-N 0 3 342.439 3.263 40 0 EGABHN Cc1ccc(CN2CCC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)s1 ZINC000096048348 454270845 /nfs/dbraw/zinc/27/08/45/454270845.db2.gz FUAIWKUUBZCLAW-YJBOKZPZSA-N 0 3 344.484 3.082 40 0 EGABHN c1csc(CN2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)c1 ZINC000096047884 454271727 /nfs/dbraw/zinc/27/17/27/454271727.db2.gz ALKZDFVDCKJXCM-MRXNPFEDSA-N 0 3 330.453 3.346 40 0 EGABHN CN(Cc1ccco1)[C@@H]1CN(Cc2ccsc2)C[C@@H]2CCCO[C@H]12 ZINC000096057141 454274307 /nfs/dbraw/zinc/27/43/07/454274307.db2.gz OFSBZZDIWYTSBN-UHOSZYNNSA-N 0 3 346.496 3.453 40 0 EGABHN CN1CC[C@]2(c3ccccc3)CCN(C(=O)c3ccsc3)C[C@H]12 ZINC000096058430 454277047 /nfs/dbraw/zinc/27/70/47/454277047.db2.gz XYEYHYGWKWWJAF-PKOBYXMFSA-N 0 3 326.465 3.236 40 0 EGABHN Cc1ccc(CN2CCOC[C@]3(CCN(c4ccccn4)C3)C2)s1 ZINC000096062464 454278539 /nfs/dbraw/zinc/27/85/39/454278539.db2.gz RNBRFSVBWVBMBL-LJQANCHMSA-N 0 3 343.496 3.180 40 0 EGABHN CCOC[C@H]1COCCC12CCN(Cc1cccc(OC)c1)CC2 ZINC000096106419 454284968 /nfs/dbraw/zinc/28/49/68/454284968.db2.gz HYIWHGIPJOKTOR-SFHVURJKSA-N 0 3 333.472 3.350 40 0 EGABHN Fc1ccc(-c2cnc3n2C[C@H](CNCc2ccccc2)OC3)cc1 ZINC000096112931 454287607 /nfs/dbraw/zinc/28/76/07/454287607.db2.gz UIGBZHOOXYIOEB-SFHVURJKSA-N 0 3 337.398 3.378 40 0 biogenic,in-vitro EGABHN c1csc(CN2CCc3ncc(CNc4ccccn4)n3CC2)c1 ZINC000096197103 454301746 /nfs/dbraw/zinc/30/17/46/454301746.db2.gz QWZIBFAFNIEOCY-UHFFFAOYSA-N 0 3 339.468 3.010 40 0 EGABHN CCc1ccc(CN2CCC3(CN(c4cccnc4)C3=O)CC2)cc1 ZINC000096202957 454302182 /nfs/dbraw/zinc/30/21/82/454302182.db2.gz VYEJBOXMHRSDPA-UHFFFAOYSA-N 0 3 335.451 3.273 40 0 EGABHN Cc1cc(C)cc(CN2CC[C@]3(C2)C[C@@H](N2CCCC2=O)CCO3)c1 ZINC000096208706 454305367 /nfs/dbraw/zinc/30/53/67/454305367.db2.gz UVVMTLVBMLMBHX-PZJWPPBQSA-N 0 3 342.483 3.049 40 0 EGABHN c1ncn2c1CN(CCc1ccccc1)C[C@H](COc1cccnc1)C2 ZINC000096209345 454305610 /nfs/dbraw/zinc/30/56/10/454305610.db2.gz ZJMGXAZFTVAGDT-IBGZPJMESA-N 0 3 348.450 3.032 40 0 EGABHN c1csc(CN2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3CC2)c1 ZINC000096249414 454311811 /nfs/dbraw/zinc/31/18/11/454311811.db2.gz IBNKLVUTHRZENJ-OALUTQOASA-N 0 3 343.496 3.009 40 0 EGABHN Cc1ncc(C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)s1 ZINC000096408502 454326036 /nfs/dbraw/zinc/32/60/36/454326036.db2.gz CYBCNFUPKJPREX-UHFFFAOYSA-N 0 3 339.848 3.298 40 0 EGABHN O=C(NCc1ccco1)C1CCN(CCSc2ccccc2)CC1 ZINC000096410317 454328697 /nfs/dbraw/zinc/32/86/97/454328697.db2.gz JJZLBOKIGGZBAE-UHFFFAOYSA-N 0 3 344.480 3.400 40 0 EGABHN CC(C)[C@H](C(=O)N1CCCN(C2CCOCC2)CC1)c1ccccc1 ZINC000096431176 454342272 /nfs/dbraw/zinc/34/22/72/454342272.db2.gz HTOGRIHNTALESU-FQEVSTJZSA-N 0 3 344.499 3.140 40 0 EGABHN O=C(CSCc1ccccn1)Nc1cnccc1N1CCCCC1 ZINC000079041062 454359142 /nfs/dbraw/zinc/35/91/42/454359142.db2.gz NSKRYIOEKHGIHW-UHFFFAOYSA-N 0 3 342.468 3.339 40 0 EGABHN COc1ccc(CCN(C)Cc2cnc3ccccn23)cc1OC ZINC000096468406 454360085 /nfs/dbraw/zinc/36/00/85/454360085.db2.gz LKTOJJMAAQAERU-UHFFFAOYSA-N 0 3 325.412 3.026 40 0 EGABHN CCOc1cccc2cc([C@H](C)N[C@@H]3CCc4nc(C)nn4C3)oc21 ZINC000096493384 454370100 /nfs/dbraw/zinc/37/01/00/454370100.db2.gz ZMXBBGGDQWLBON-SWLSCSKDSA-N 0 3 340.427 3.397 40 0 EGABHN CN1CCC(NC(=S)Nc2ccc(OC3CCCC3)cc2)CC1 ZINC000063147675 454395056 /nfs/dbraw/zinc/39/50/56/454395056.db2.gz HCRMZZRQWWAVFN-UHFFFAOYSA-N 0 3 333.501 3.389 40 0 EGABHN CN(C)CCN(Cc1ccccn1)C(=O)C[C@H]1CCc2ccccc21 ZINC000079361777 454401903 /nfs/dbraw/zinc/40/19/03/454401903.db2.gz SGCBCNUGFTYZSZ-GOSISDBHSA-N 0 3 337.467 3.092 40 0 EGABHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1C(F)(F)F)C2 ZINC000063527623 454421690 /nfs/dbraw/zinc/42/16/90/454421690.db2.gz DSUASNYEKBIOLK-MRXNPFEDSA-N 0 3 326.362 3.263 40 0 EGABHN Cc1c(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cccc1OC(F)F ZINC000102716474 454517681 /nfs/dbraw/zinc/51/76/81/454517681.db2.gz SMWFFJHVZXVXJW-CYBMUJFWSA-N 0 3 337.370 3.074 40 0 EGABHN C[C@H](CC(=O)c1ccccc1F)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000080086829 454531167 /nfs/dbraw/zinc/53/11/67/454531167.db2.gz OWQNMEZCTUYOIS-CABCVRRESA-N 0 3 346.446 3.168 40 0 EGABHN c1cnn(-c2ccccc2CN2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000092661248 454603685 /nfs/dbraw/zinc/60/36/85/454603685.db2.gz LLGGLTLWFACTSM-LJQANCHMSA-N 0 3 341.455 3.032 40 0 EGABHN COc1cc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)ccc1F ZINC000154622567 454913522 /nfs/dbraw/zinc/91/35/22/454913522.db2.gz UFVNWNDYLFRUBX-UHFFFAOYSA-N 0 3 346.402 3.164 40 0 EGABHN C[C@@H](NC[C@@]1(O)CCSC1)c1ccc(Br)cc1F ZINC000127507124 454971605 /nfs/dbraw/zinc/97/16/05/454971605.db2.gz OWLNPRLSFIEJBZ-RNCFNFMXSA-N 0 3 334.254 3.107 40 0 EGABHN O[C@@H](COCc1ccco1)CN1CCc2sccc2[C@H]1C1CC1 ZINC000245237584 455281759 /nfs/dbraw/zinc/28/17/59/455281759.db2.gz OPXFGKBQAYKWLB-RDTXWAMCSA-N 0 3 333.453 3.228 40 0 EGABHN O[C@]1(c2cccnc2)CCC[C@@H]2CN(Cc3cc(F)ccc3F)C[C@H]21 ZINC000248071517 455677829 /nfs/dbraw/zinc/67/78/29/455677829.db2.gz YHQYVBJFVDONSK-DJKXOVBDSA-N 0 3 344.405 3.480 40 0 EGABHN Fc1ccc(CN2CCC3(CO[C@@H](Cc4cncnc4)C3)CC2)cc1 ZINC000257294537 455885622 /nfs/dbraw/zinc/88/56/22/455885622.db2.gz QUPPKIWTQQSZLN-IBGZPJMESA-N 0 3 341.430 3.230 40 0 EGABHN CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCCN2Cc1cccnc1 ZINC000257333254 455894732 /nfs/dbraw/zinc/89/47/32/455894732.db2.gz YAVQNDSJOYCAFV-FKBYEOEOSA-N 0 3 349.478 3.451 40 0 EGABHN CCN(CC)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c([O-])c1 ZINC000195546788 455982740 /nfs/dbraw/zinc/98/27/40/455982740.db2.gz YROCVBBXKXSISH-MAUKXSAKSA-N 0 3 347.503 3.041 40 0 EGABHN CCN(CC)c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c([O-])c1 ZINC000195546788 455982746 /nfs/dbraw/zinc/98/27/46/455982746.db2.gz YROCVBBXKXSISH-MAUKXSAKSA-N 0 3 347.503 3.041 40 0 EGABHN C[C@@H](NCc1cccc(C(=O)N(C)C)c1)c1cccc(-n2ccnc2)c1 ZINC000195577356 455986991 /nfs/dbraw/zinc/98/69/91/455986991.db2.gz HHTDHWTZUNZHLM-MRXNPFEDSA-N 0 3 348.450 3.425 40 0 EGABHN COc1ccccc1N1CCC[C@@H](N[C@H](C)c2cnn(C)c2C)C1 ZINC000221347348 456041816 /nfs/dbraw/zinc/04/18/16/456041816.db2.gz STZJFBOMRWTQRE-GDBMZVCRSA-N 0 3 328.460 3.057 40 0 EGABHN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCN1CCCCCC1 ZINC000224987979 456071046 /nfs/dbraw/zinc/07/10/46/456071046.db2.gz HXBQXXNPKIASEF-UHFFFAOYSA-N 0 3 338.879 3.490 40 0 EGABHN O=C(c1ccc(F)cc1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000352713317 457551490 /nfs/dbraw/zinc/55/14/90/457551490.db2.gz SKXBUQXBOOTQHR-UHFFFAOYSA-N 0 3 338.426 3.489 40 0 EGABHN Cc1cc(N2CCC[C@@H](N3CCOCC3)CC2)c2ccccc2n1 ZINC000518796198 458894032 /nfs/dbraw/zinc/89/40/32/458894032.db2.gz WFDDEWIPOXWGRY-QGZVFWFLSA-N 0 3 325.456 3.234 40 0 EGABHN CCOCC[C@@H]1CCOC12CCN(Cc1ccc(OC)cc1)CC2 ZINC000585105084 459825262 /nfs/dbraw/zinc/82/52/62/459825262.db2.gz PBXWTXXQCOJUOA-GOSISDBHSA-N 0 3 333.472 3.493 40 0 EGABHN COc1ccc(CN[C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)cc1 ZINC000585285638 459833426 /nfs/dbraw/zinc/83/34/26/459833426.db2.gz PPYPAPCNZMTDSR-XUVXKRRUSA-N 0 3 345.414 3.285 40 0 EGABHN CNc1cc(CC2CCN(Cc3ccc(F)cc3)CC2)nc(C)n1 ZINC000019758465 202018857 /nfs/dbraw/zinc/01/88/57/202018857.db2.gz ZKWOUXCUZGQXKH-UHFFFAOYSA-N 0 3 328.435 3.421 40 0 EGABHN O=C(COc1cccc(F)c1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000022463327 202085239 /nfs/dbraw/zinc/08/52/39/202085239.db2.gz SVQDWQWHPBUPBX-LJQANCHMSA-N 0 3 342.414 3.158 40 0 EGABHN COc1ccc([C@H](CO)N(C)C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000075742404 202382807 /nfs/dbraw/zinc/38/28/07/202382807.db2.gz YVOCTSKKMBDQMR-ROUUACIJSA-N 0 3 335.831 3.047 40 0 EGABHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccncc2)CC1 ZINC000078553375 202395944 /nfs/dbraw/zinc/39/59/44/202395944.db2.gz NXVGVTODMVUNBE-MRXNPFEDSA-N 0 3 342.462 3.213 40 0 EGABHN O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)C1CC=CC1 ZINC000077022553 202389873 /nfs/dbraw/zinc/38/98/73/202389873.db2.gz BVJZXKNOIJXZFT-UHFFFAOYSA-N 0 3 348.874 3.266 40 0 EGABHN Cc1cccc(NC2CCN(C[C@H](O)c3cccc(F)c3)CC2)n1 ZINC000077316498 202392223 /nfs/dbraw/zinc/39/22/23/202392223.db2.gz ZWQNRZHMVIMGQY-SFHVURJKSA-N 0 3 329.419 3.139 40 0 EGABHN Cc1ccc(NC(=O)CN2CCN(CC3CCCCC3)CC2)cc1 ZINC000023249146 212363474 /nfs/dbraw/zinc/36/34/74/212363474.db2.gz LMKCYCJXGTXNFV-UHFFFAOYSA-N 0 3 329.488 3.131 40 0 EGABHN Cc1ccoc1C(=O)NCCCN[C@@H]1CCCOc2cc(F)ccc21 ZINC000195557704 241006597 /nfs/dbraw/zinc/00/65/97/241006597.db2.gz TZVRMALHPMXJQD-MRXNPFEDSA-N 0 3 346.402 3.351 40 0 EGABHN OCCN[C@@H](c1ccc(Cl)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC000001555485 201511683 /nfs/dbraw/zinc/51/16/83/201511683.db2.gz FHGFQQXEMNVJIA-JKSUJKDBSA-N 0 3 326.223 3.350 40 0 EGABHN Nc1nccnc1C[C@@H]1CCCN(Cc2ccc3ncccc3c2)C1 ZINC000257213417 244155985 /nfs/dbraw/zinc/15/59/85/244155985.db2.gz CHMTWRQHXXNPEJ-HNNXBMFYSA-N 0 3 333.439 3.062 40 0 EGABHN Cc1cn(C)c([C@H]2CCN(Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257234510 244222049 /nfs/dbraw/zinc/22/20/49/244222049.db2.gz GTVFQBQCPVFPHP-SFHVURJKSA-N 0 3 333.439 3.175 40 0 EGABHN O[C@@]1(c2ccccn2)CC[C@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]21 ZINC000072392549 203214029 /nfs/dbraw/zinc/21/40/29/203214029.db2.gz LNIHGASZHSZQFS-KHYOSLBOSA-N 0 3 330.378 3.089 40 0 EGABHN Cc1ccc(CNC[C@@H]2Cn3nnc(-c4ccsc4)c3CO2)s1 ZINC000096061046 203817453 /nfs/dbraw/zinc/81/74/53/203817453.db2.gz VQIXYKGEVPINGW-CYBMUJFWSA-N 0 3 346.481 3.065 40 0 EGABHN Cc1cccc(CN2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)n1 ZINC000107711951 204245335 /nfs/dbraw/zinc/24/53/35/204245335.db2.gz UVKUOMVUHHETHJ-UXHICEINSA-N 0 3 330.472 3.188 40 0 EGABHN O=C1N(CC2CCC2)CC[C@]12CCCN(Cc1ccncc1)CC2 ZINC000108528582 204266155 /nfs/dbraw/zinc/26/61/55/204266155.db2.gz MRGNBDJYCHKBPJ-HXUWFJFHSA-N 0 3 327.472 3.086 40 0 EGABHN CNCc1cccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C)c1 ZINC000095427849 218369886 /nfs/dbraw/zinc/36/98/86/218369886.db2.gz CAKAPQPSQQOONO-UHFFFAOYSA-N 0 3 338.386 3.292 40 0 EGABHN C[C@@H](N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cnn(C)c1 ZINC000095422514 218364716 /nfs/dbraw/zinc/36/47/16/218364716.db2.gz VSVUQQDORHKRLJ-IUODEOHRSA-N 0 3 338.377 3.368 40 0 EGABHN c1cc(CN2CCC3(CO[C@@H](COc4ccccn4)C3)CC2)co1 ZINC000096106197 285434767 /nfs/dbraw/zinc/43/47/67/285434767.db2.gz MQKZNTCYIALGIC-QGZVFWFLSA-N 0 3 328.412 3.125 40 0 EGABHN CC(C)c1nc2sc3c(c2c(N2CCNCC2)n1)CC[C@H](C)C3 ZINC000004910650 273569916 /nfs/dbraw/zinc/56/99/16/273569916.db2.gz WCROKSLWGACBNC-LBPRGKRZSA-N 0 3 330.501 3.349 40 0 EGABHN CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H](c1nc(-c2nc[n-]n2)no1)C(C)C ZINC000191109294 278499028 /nfs/dbraw/zinc/49/90/28/278499028.db2.gz KVFNNYDURKLOKJ-MELADBBJSA-N 0 3 330.436 3.134 40 0 EGABHN CCOC(=O)c1ccc(-c2ccc(CNC[C@H]3CCCO3)o2)cc1 ZINC000007519905 453083277 /nfs/dbraw/zinc/08/32/77/453083277.db2.gz FXVRPWZFCCRQON-MRXNPFEDSA-N 0 3 329.396 3.392 40 0 EGABHN CCN(CC)CCNC(=O)Nc1c[nH]c2c(Cl)cccc2c1=O ZINC000013565984 453470557 /nfs/dbraw/zinc/47/05/57/453470557.db2.gz DOJPLDXPNLZGQM-UHFFFAOYSA-N 0 3 336.823 3.057 40 0 EGABHN CCC(=O)N1CCCc2cc([C@@H](O)CN3CCC(C)CC3)ccc21 ZINC000019498881 453656605 /nfs/dbraw/zinc/65/66/05/453656605.db2.gz JRRHIKLRTNOCNS-IBGZPJMESA-N 0 3 330.472 3.141 40 0 EGABHN CCN(CC)CCN(C)[C@](O)(C(=O)c1ccccc1)C1CCCC1 ZINC000022796426 453698832 /nfs/dbraw/zinc/69/88/32/453698832.db2.gz FYCWKFSPEUEYGS-HXUWFJFHSA-N 0 3 332.488 3.022 40 0 EGABHN CCCCN(CC(=O)Nc1cccc(C(=O)N(C)C)c1)[C@@H](C)CC ZINC000026650603 453803846 /nfs/dbraw/zinc/80/38/46/453803846.db2.gz RQJGONUMUVXSCF-HNNXBMFYSA-N 0 3 333.476 3.228 40 0 EGABHN Cc1cnc(NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)s1 ZINC000054379887 453926583 /nfs/dbraw/zinc/92/65/83/453926583.db2.gz PPBSDOZHFPFDAQ-DZGCQCFKSA-N 0 3 330.457 3.409 40 0 EGABHN C[C@H]1C[C@H](OC[C@H](O)CN(CCO)Cc2ccccc2)CC(C)(C)C1 ZINC000095532668 454229438 /nfs/dbraw/zinc/22/94/38/454229438.db2.gz FKQLTXLKHRPMII-SXLOBPIMSA-N 0 3 349.515 3.073 40 0 EGABHN c1cc(CN2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)co1 ZINC000096040091 454267040 /nfs/dbraw/zinc/26/70/40/454267040.db2.gz CNHUYGNMIJEEPX-VQTJNVASSA-N 0 3 342.439 3.263 40 0 EGABHN O=C(c1cccs1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2)C1 ZINC000096047028 454270114 /nfs/dbraw/zinc/27/01/14/454270114.db2.gz RDRXPHQEIMIUSO-IBGZPJMESA-N 0 3 341.480 3.271 40 0 EGABHN c1csc(CN2CCC3(CC2)CN(Cc2ccccn2)CCO3)c1 ZINC000096048955 454271164 /nfs/dbraw/zinc/27/11/64/454271164.db2.gz YJGQFLXWIGKPBE-UHFFFAOYSA-N 0 3 343.496 3.010 40 0 EGABHN c1cc(CN2CCC3(CC2)CN(Cc2ccccc2)CCO3)co1 ZINC000096048948 454271898 /nfs/dbraw/zinc/27/18/98/454271898.db2.gz XJHCBZDIYUSRMH-UHFFFAOYSA-N 0 3 326.440 3.147 40 0 EGABHN Cc1nc(N2CCN(C(C)C)CC2)ccc1[C@H](O)c1ccccc1 ZINC000072224754 454275699 /nfs/dbraw/zinc/27/56/99/454275699.db2.gz SIGVYHBFDFKBDR-HXUWFJFHSA-N 0 3 325.456 3.002 40 0 EGABHN c1ccc(CN2CCC3(C[C@@H](OCC4CCOCC4)CO3)CC2)cc1 ZINC000096106687 454284400 /nfs/dbraw/zinc/28/44/00/454284400.db2.gz IOHNZTANPKJWHW-HXUWFJFHSA-N 0 3 345.483 3.253 40 0 EGABHN COc1ccc(CNC[C@H]2COCc3nc4cc(F)ccc4n32)cc1 ZINC000096112717 454287406 /nfs/dbraw/zinc/28/74/06/454287406.db2.gz WYCJSCHEZDEIFY-HNNXBMFYSA-N 0 3 341.386 3.045 40 0 biogenic,in-vitro EGABHN O=C1NC2(C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)Nc2ccccc21 ZINC000072342613 454293811 /nfs/dbraw/zinc/29/38/11/454293811.db2.gz GCDQDEGRKPDDRC-QRTHJKPMSA-N 0 3 333.435 3.365 40 0 EGABHN Cc1ccc(CN2CCC[C@]3(C(=O)[O-])C[N@H+](CC4CC4)C[C@@H]3C2)s1 ZINC000096185194 454299913 /nfs/dbraw/zinc/29/99/13/454299913.db2.gz KDUWDCMKHCPTQR-LPHOPBHVSA-N 0 3 348.512 3.065 40 0 EGABHN Cc1ccc(CN2CCC[C@]3(C(=O)[O-])C[N@@H+](CC4CC4)C[C@@H]3C2)s1 ZINC000096185194 454299917 /nfs/dbraw/zinc/29/99/17/454299917.db2.gz KDUWDCMKHCPTQR-LPHOPBHVSA-N 0 3 348.512 3.065 40 0 EGABHN c1cc(CN2CC[C@@H]3[C@@H](CO[C@H]3Cc3nnc(C4CC4)o3)C2)cs1 ZINC000096208306 454304562 /nfs/dbraw/zinc/30/45/62/454304562.db2.gz IRJQSHRLDAYBEN-OAGGEKHMSA-N 0 3 345.468 3.088 40 0 EGABHN c1csc(CN2CC[C@H]3OCC[C@@]3(COCc3ccncc3)C2)c1 ZINC000096208573 454306156 /nfs/dbraw/zinc/30/61/56/454306156.db2.gz RIWVNUKATQMCEP-MOPGFXCFSA-N 0 3 344.480 3.341 40 0 EGABHN Cc1cc(CN2CC[C@]3(C2)CCCN(c2ccc(C)nn2)C3)oc1C ZINC000096217079 454307871 /nfs/dbraw/zinc/30/78/71/454307871.db2.gz RRFROSOVIIUGDV-FQEVSTJZSA-N 0 3 340.471 3.487 40 0 EGABHN O=C(C[C@H]1COC2(C1)CCN(Cc1cccs1)CC2)N1CCCC1 ZINC000096221964 454309446 /nfs/dbraw/zinc/30/94/46/454309446.db2.gz MMARKCADGHMVSD-MRXNPFEDSA-N 0 3 348.512 3.132 40 0 EGABHN Cc1cccc(CN2CCC3(C=C[C@H](N4CCOCC4)CC3)CC2)n1 ZINC000096240270 454311545 /nfs/dbraw/zinc/31/15/45/454311545.db2.gz VWQSVLRIYQVYLY-FQEVSTJZSA-N 0 3 341.499 3.023 40 0 EGABHN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000096414431 454331815 /nfs/dbraw/zinc/33/18/15/454331815.db2.gz XUOJEJSVBJBSSH-HIFRSBDPSA-N 0 3 342.405 3.342 40 0 EGABHN C[C@H]1CN(CCC2CCN(C(=O)/C=C/c3ccco3)CC2)C[C@H](C)O1 ZINC000096456018 454358299 /nfs/dbraw/zinc/35/82/99/454358299.db2.gz GTMICELXFRGYQZ-CSLAMCDYSA-N 0 3 346.471 3.031 40 0 EGABHN C[C@H](CCN[C@H]1CCCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000096491682 454368880 /nfs/dbraw/zinc/36/88/80/454368880.db2.gz ISVPSVXLECNTKR-DOMZBBRYSA-N 0 3 349.418 3.366 40 0 EGABHN CC(C)NC(=O)[C@H]1CCC[C@@H](NCc2ccn(-c3ccccc3)n2)C1 ZINC000091060652 454374417 /nfs/dbraw/zinc/37/44/17/454374417.db2.gz XKFHEMFATZECPT-DLBZAZTESA-N 0 3 340.471 3.045 40 0 EGABHN C[C@H](C(=O)NC[C@H]1CCCN(C)C1)c1ccc(Br)s1 ZINC000080127380 454538123 /nfs/dbraw/zinc/53/81/23/454538123.db2.gz SFSLXEHEVAEUIE-WDEREUQCSA-N 0 3 345.306 3.072 40 0 EGABHN Cc1[nH]ncc1CN1CCO[C@H](c2cccc(Br)c2)C1 ZINC000092592166 454592572 /nfs/dbraw/zinc/59/25/72/454592572.db2.gz JISMCYICAIFKHE-HNNXBMFYSA-N 0 3 336.233 3.054 40 0 EGABHN C[C@H](NCCc1ccnn1C)c1ccc(Br)cc1F ZINC000129701735 455121791 /nfs/dbraw/zinc/12/17/91/455121791.db2.gz NEDBBEPNUKZQMC-JTQLQIEISA-N 0 3 326.213 3.215 40 0 EGABHN Cn1cc(CN2CC[C@H](CNc3ccccn3)C2)c(-c2ccccc2)n1 ZINC000179987511 455111363 /nfs/dbraw/zinc/11/13/63/455111363.db2.gz LUESZUASKSVRPC-QGZVFWFLSA-N 0 3 347.466 3.416 40 0 EGABHN CCCC[C@@H](C)C(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000252537411 455819999 /nfs/dbraw/zinc/81/99/99/455819999.db2.gz LBPGTGXYRCEKLJ-NVXWUHKLSA-N 0 3 345.487 3.149 40 0 EGABHN Cc1nnc(CN(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)s1 ZINC000253418491 455842754 /nfs/dbraw/zinc/84/27/54/455842754.db2.gz QYXBSRYVHXQKCR-YOEHRIQHSA-N 0 3 330.501 3.331 40 0 EGABHN c1ccc(CC[N@@H+]2CC[C@@H](c3ccnc([N-]c4cnccn4)n3)C2)cc1 ZINC000257307659 455888061 /nfs/dbraw/zinc/88/80/61/455888061.db2.gz SZSIPAMLZQIJMG-QGZVFWFLSA-N 0 3 346.438 3.042 40 0 EGABHN c1ccc(CC[N@H+]2CC[C@@H](c3ccnc([N-]c4cnccn4)n3)C2)cc1 ZINC000257307659 455888065 /nfs/dbraw/zinc/88/80/65/455888065.db2.gz SZSIPAMLZQIJMG-QGZVFWFLSA-N 0 3 346.438 3.042 40 0 EGABHN C[C@@H](NC(=O)[C@H]1NCCCC1(C)C)c1cccc(OC(F)F)c1 ZINC000261627995 455915810 /nfs/dbraw/zinc/91/58/10/455915810.db2.gz CQYGNGLNARSONR-BXUZGUMPSA-N 0 3 326.387 3.243 40 0 EGABHN Cc1cc(Br)cc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000195565610 455985904 /nfs/dbraw/zinc/98/59/04/455985904.db2.gz IUHKUBUZPWRXPR-WFASDCNBSA-N 0 3 339.277 3.312 40 0 EGABHN CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H](c1nc(-c2nc[n-]n2)no1)C(C)C ZINC000225515565 456089642 /nfs/dbraw/zinc/08/96/42/456089642.db2.gz KVFNNYDURKLOKJ-IHRRRGAJSA-N 0 3 330.436 3.134 40 0 EGABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(F)cc1C ZINC000225597750 456095830 /nfs/dbraw/zinc/09/58/30/456095830.db2.gz NBGAOOBBYABCET-INIZCTEOSA-N 0 3 342.480 3.067 40 0 EGABHN CCO[C@](C)(CC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225650137 456101423 /nfs/dbraw/zinc/10/14/23/456101423.db2.gz SVFUQIHCRUJREZ-LJQANCHMSA-N 0 3 334.460 3.305 40 0 EGABHN CCCCOc1ccc(NC(=O)N2CCC(N3CC=CC3)CC2)cn1 ZINC000188878875 456158857 /nfs/dbraw/zinc/15/88/57/456158857.db2.gz FIXHZAQEEAXBJV-UHFFFAOYSA-N 0 3 344.459 3.129 40 0 EGABHN Cc1ccc(CN2C[C@H]3OC[C@H](CNc4ccccn4)[C@H]3C2)s1 ZINC000306134499 456567424 /nfs/dbraw/zinc/56/74/24/456567424.db2.gz NPISUZIGOSGJJX-USXIJHARSA-N 0 3 329.469 3.010 40 0 EGABHN c1cnc2ccc(CN3CCc4nc([C@@H]5CCCN5)ncc4C3)cc2c1 ZINC000019347045 202005552 /nfs/dbraw/zinc/00/55/52/202005552.db2.gz FQFIDIIHGRRAPT-FQEVSTJZSA-N 0 3 345.450 3.008 40 0 EGABHN O=C1CCCC[C@]2(CN(Cc3ccccc3)C[C@H]2c2cccnc2)N1 ZINC000019372618 202006097 /nfs/dbraw/zinc/00/60/97/202006097.db2.gz NXLDKTDMYLECEV-PZJWPPBQSA-N 0 3 335.451 3.110 40 0 EGABHN COc1ccc2c(c1)c(C)c(C(=O)N1CCCC[C@H]1CN(C)C)n2C ZINC000019565563 202011771 /nfs/dbraw/zinc/01/17/71/202011771.db2.gz GDFRYMKSDFOSGW-HNNXBMFYSA-N 0 3 343.471 3.052 40 0 EGABHN Cc1nc2cc(C)ccn2c1CN1CCC[C@@H](Cn2ccnc2C)C1 ZINC000019659013 202014677 /nfs/dbraw/zinc/01/46/77/202014677.db2.gz UYJOLYAYVHWBQF-GOSISDBHSA-N 0 3 337.471 3.368 40 0 EGABHN CN1CCC(Nc2ccccc2NC(=O)c2cccc(Cl)n2)CC1 ZINC000078403396 202390509 /nfs/dbraw/zinc/39/05/09/202390509.db2.gz OXYZANPQUJAAMF-UHFFFAOYSA-N 0 3 344.846 3.493 40 0 EGABHN CC(C)[C@H](N)c1nnc2ccc(-c3cccc(Br)c3)nn21 ZINC000217566256 241259017 /nfs/dbraw/zinc/25/90/17/241259017.db2.gz UDTIGIHMKWSOMY-AWEZNQCLSA-N 0 3 346.232 3.210 40 0 EGABHN O=C(c1cccc(Cl)c1)N1CCN(C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000222202140 241498611 /nfs/dbraw/zinc/49/86/11/241498611.db2.gz NUPOXGUGXABKNY-ZMSDIMECSA-N 0 3 330.859 3.310 40 0 EGABHN CSc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[n-]c(C)nc2C3)cc1 ZINC000072372995 203209432 /nfs/dbraw/zinc/20/94/32/203209432.db2.gz HNLGFJPBYMKRCE-LSDHHAIUSA-N 0 3 341.480 3.344 40 0 EGABHN CSc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[n-]c(C)nc2C3)cc1 ZINC000072372995 203209434 /nfs/dbraw/zinc/20/94/34/203209434.db2.gz HNLGFJPBYMKRCE-LSDHHAIUSA-N 0 3 341.480 3.344 40 0 EGABHN O=C(C1CCC1)N1CCN(C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355147 203204838 /nfs/dbraw/zinc/20/48/38/203204838.db2.gz DHSQUWOJKQTKEZ-QGZVFWFLSA-N 0 3 341.499 3.127 40 0 EGABHN Cc1cc(CCC(=O)Nc2ccon2)cc([C@H]2CCCN2C(C)C)n1 ZINC000072366889 203208136 /nfs/dbraw/zinc/20/81/36/203208136.db2.gz CMQBTSAAJJCQQU-QGZVFWFLSA-N 0 3 342.443 3.495 40 0 EGABHN COc1ccc(CN2CC[C@H](c3nc(-c4ccncc4)no3)C2)cc1 ZINC000072389905 203213231 /nfs/dbraw/zinc/21/32/31/203213231.db2.gz CNGHYAQGIRIKFZ-INIZCTEOSA-N 0 3 336.395 3.130 40 0 EGABHN Cc1cc(-c2nccn2C)nc([C@H]2CCN(Cc3ccsc3)C2)n1 ZINC000257271800 244379471 /nfs/dbraw/zinc/37/94/71/244379471.db2.gz MZVVBMGWFCRLTK-HNNXBMFYSA-N 0 3 339.468 3.237 40 0 EGABHN c1csc(CN2CCOC3(CCN(Cc4ccsc4)CC3)C2)n1 ZINC000096048975 203808805 /nfs/dbraw/zinc/80/88/05/203808805.db2.gz IXXAXWSLXFEZOT-UHFFFAOYSA-N 0 3 349.525 3.072 40 0 EGABHN COc1ccccc1NC1CCN([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000096493108 218871146 /nfs/dbraw/zinc/87/11/46/218871146.db2.gz VEZRRULFPBLUBW-CTNGQTDRSA-N 0 3 338.451 3.230 40 0 EGABHN Cc1ccc(C(C)C)c(OCC(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000171450826 144004212 /nfs/dbraw/zinc/00/42/12/144004212.db2.gz LLIWJLPDHUXADD-KRWDZBQOSA-N 0 3 330.472 3.194 40 0 EGABHN CN(Cc1nc2ccc(Br)cc2[nH]1)C[C@@H]1CCCOC1 ZINC000097099686 323214869 /nfs/dbraw/zinc/21/48/69/323214869.db2.gz BKBOJRUOBCLKKY-NSHDSACASA-N 0 3 338.249 3.184 40 0 EGABHN CC(=O)Nc1cc(NC(=O)[C@H](C2CC2)N2CCCC2)ccc1Cl ZINC000097376447 323215710 /nfs/dbraw/zinc/21/57/10/323215710.db2.gz BWMCTTMUEOFVQV-INIZCTEOSA-N 0 3 335.835 3.111 40 0 EGABHN Cc1ccccc1SCC(=O)NCc1ccccc1CN(C)C ZINC000006992768 453016615 /nfs/dbraw/zinc/01/66/15/453016615.db2.gz FRJKQOGUNXAXOZ-UHFFFAOYSA-N 0 3 328.481 3.465 40 0 EGABHN COc1cccc([C@H]2CCCN2CCC(=O)Nc2cc(C)on2)c1 ZINC000009980187 453269699 /nfs/dbraw/zinc/26/96/99/453269699.db2.gz HOOAKZSKMXCEGQ-MRXNPFEDSA-N 0 3 329.400 3.157 40 0 EGABHN CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3C)no2)CCCNC1 ZINC000012275196 453354383 /nfs/dbraw/zinc/35/43/83/453354383.db2.gz SPKNVWMZDYTDAL-LJQANCHMSA-N 0 3 328.412 3.125 40 0 EGABHN Cc1cccc(-c2cc(CNCCc3ccco3)c3nnnn3c2)c1 ZINC000019235297 453655649 /nfs/dbraw/zinc/65/56/49/453655649.db2.gz OQKZMQNIHIRNKV-UHFFFAOYSA-N 0 3 333.395 3.025 40 0 EGABHN CO[C@H](C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)c1ccccc1 ZINC000067267508 453915723 /nfs/dbraw/zinc/91/57/23/453915723.db2.gz UIXSNYXSNQXSTR-OALUTQOASA-N 0 3 326.440 3.102 40 0 EGABHN CN1CCC(NC(=O)CSCc2ccc(Cl)cc2Cl)CC1 ZINC000056968251 454093188 /nfs/dbraw/zinc/09/31/88/454093188.db2.gz CKWPKFHSOFGKLZ-UHFFFAOYSA-N 0 3 347.311 3.437 40 0 EGABHN O=C(CNC1CC1)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000095466789 454218706 /nfs/dbraw/zinc/21/87/06/454218706.db2.gz SWVWUGPOYGMBQW-KRWDZBQOSA-N 0 3 342.418 3.021 40 0 EGABHN OC1CCN(CCCNc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000059363436 454257822 /nfs/dbraw/zinc/25/78/22/454257822.db2.gz VHQBRWHLHKWFMO-UHFFFAOYSA-N 0 3 337.773 3.013 40 0 EGABHN COc1ccc(N[C@H]2CO[C@]3(CCN(Cc4ccoc4)C3)C2)cc1 ZINC000096047606 454270495 /nfs/dbraw/zinc/27/04/95/454270495.db2.gz ALNHPADQVLGLED-IEBWSBKVSA-N 0 3 328.412 3.134 40 0 EGABHN O=C(c1ccsc1)N1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC000096046657 454270533 /nfs/dbraw/zinc/27/05/33/454270533.db2.gz TYQKBMKOBYEFGR-UHFFFAOYSA-N 0 3 341.480 3.271 40 0 EGABHN c1csc(CN2CCC3(CC2)CN(Cc2nccs2)CCO3)c1 ZINC000096048973 454271691 /nfs/dbraw/zinc/27/16/91/454271691.db2.gz ORZGACZWZLOCBZ-UHFFFAOYSA-N 0 3 349.525 3.072 40 0 EGABHN CN(Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1ccccn1)CC2 ZINC000096051591 454272286 /nfs/dbraw/zinc/27/22/86/454272286.db2.gz SSKOPQGXDIYBBZ-SFHVURJKSA-N 0 3 339.439 3.191 40 0 EGABHN Cc1cccc(CN2CCC3(CC2)C(=O)N(C)[C@@H]3c2ccccc2)n1 ZINC000096080435 454279823 /nfs/dbraw/zinc/27/98/23/454279823.db2.gz QDAXZSWWLVVHTK-LJQANCHMSA-N 0 3 335.451 3.186 40 0 EGABHN COc1ccc2c(c1)C1(CCN(Cc3cccnc3)CC1)N(C)CC2 ZINC000096100217 454282440 /nfs/dbraw/zinc/28/24/40/454282440.db2.gz OOSXHDDZVHDTBG-UHFFFAOYSA-N 0 3 337.467 3.069 40 0 EGABHN c1cc(CN2CCC3(CO[C@H](COCC4CCOCC4)C3)CC2)co1 ZINC000096106065 454283427 /nfs/dbraw/zinc/28/34/27/454283427.db2.gz SCKJYABAGFTROS-IBGZPJMESA-N 0 3 349.471 3.094 40 0 EGABHN c1csc(CN2CCC3(C[C@H](OCc4ccncc4)CO3)CC2)c1 ZINC000096106814 454284248 /nfs/dbraw/zinc/28/42/48/454284248.db2.gz RGDSSNDWKJXIQN-KRWDZBQOSA-N 0 3 344.480 3.483 40 0 EGABHN c1ccc(CN2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)cc1 ZINC000096106750 454284322 /nfs/dbraw/zinc/28/43/22/454284322.db2.gz RJBFTYGMWHVDIW-FQEVSTJZSA-N 0 3 338.451 3.422 40 0 EGABHN c1cc(CN2CCC3(C[C@H](Oc4ccccn4)CO3)CC2)cs1 ZINC000096106957 454284671 /nfs/dbraw/zinc/28/46/71/454284671.db2.gz IGXSPZKSZNLWNH-INIZCTEOSA-N 0 3 330.453 3.346 40 0 EGABHN Cc1nc(CO[C@H]2COC3(C2)CCN(Cc2ccoc2)CC3)cs1 ZINC000096106796 454284781 /nfs/dbraw/zinc/28/47/81/454284781.db2.gz ZEHHZSCUSRAYEI-QGZVFWFLSA-N 0 3 348.468 3.385 40 0 EGABHN Cc1cc(CN[C@@H]2CCc3c(ccc(=O)n3CC3CC3)C2)oc1C ZINC000096189742 454301375 /nfs/dbraw/zinc/30/13/75/454301375.db2.gz FVKHVFRHQCGFJO-QGZVFWFLSA-N 0 3 326.440 3.115 40 0 EGABHN Cc1cccc(CN2CCC3(CC2)NC(=O)C[C@@H]3c2ccccc2)n1 ZINC000096199596 454302873 /nfs/dbraw/zinc/30/28/73/454302873.db2.gz XXHBWGWDAGVTOD-LJQANCHMSA-N 0 3 335.451 3.028 40 0 EGABHN Cc1cccc(CN2CCC[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC000096216138 454306109 /nfs/dbraw/zinc/30/61/09/454306109.db2.gz OKOXZNXKKKMTLC-OAQYLSRUSA-N 0 3 336.483 3.273 40 0 EGABHN c1cc(CN2CC[C@@H]3OCCN(c4cccnc4)[C@H]3CC2)cs1 ZINC000096249426 454311759 /nfs/dbraw/zinc/31/17/59/454311759.db2.gz KNYGNVSNACRDIW-ROUUACIJSA-N 0 3 329.469 3.013 40 0 EGABHN CN(C)C[C@@H]1CSCCCN1C(=O)Nc1cccc(Cl)c1 ZINC000090608914 454327100 /nfs/dbraw/zinc/32/71/00/454327100.db2.gz BKUDKPUDZYGYRP-CQSZACIVSA-N 0 3 327.881 3.241 40 0 EGABHN CCCc1cc(NC(=O)c2oc3ccccc3c2CN(C)C)n[nH]1 ZINC000096436468 454347759 /nfs/dbraw/zinc/34/77/59/454347759.db2.gz AOPYBMBDBADDKX-UHFFFAOYSA-N 0 3 326.400 3.422 40 0 EGABHN O=C(C1CCC(NCc2ccccc2F)CC1)N1CCSCC1 ZINC000078978655 454348235 /nfs/dbraw/zinc/34/82/35/454348235.db2.gz RTZLYBQFVJQFMA-UHFFFAOYSA-N 0 3 336.476 3.050 40 0 EGABHN COc1ccccc1/C=C/CN[C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000078979800 454348512 /nfs/dbraw/zinc/34/85/12/454348512.db2.gz ZVIZHZVDORSHBS-DYLGSBMWSA-N 0 3 338.407 3.390 40 0 EGABHN CCCC(=O)Nc1cccc(NC(=O)N2CCCN(CCC)CC2)c1 ZINC000079028683 454357958 /nfs/dbraw/zinc/35/79/58/454357958.db2.gz YWOYOUPDJDUGFN-UHFFFAOYSA-N 0 3 346.475 3.375 40 0 EGABHN COC[C@H](NC1CCN(c2nc(C)cs2)CC1)c1ccc(C)o1 ZINC000096478906 454363876 /nfs/dbraw/zinc/36/38/76/454363876.db2.gz XIFICOMVPRCBMH-HNNXBMFYSA-N 0 3 335.473 3.299 40 0 EGABHN C[C@@H](NC1(CNC(=O)C[C@@H]2C=CCC2)CCOCC1)c1ccccc1 ZINC000079096345 454367883 /nfs/dbraw/zinc/36/78/83/454367883.db2.gz PJPQVPKDPGKLEJ-QZTJIDSGSA-N 0 3 342.483 3.359 40 0 EGABHN CC(=O)NCCCN[C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000096493334 454369701 /nfs/dbraw/zinc/36/97/01/454369701.db2.gz LSVGPCNBCHNNSX-JTQLQIEISA-N 0 3 339.233 3.372 40 0 EGABHN CN(C(=O)CCc1ccccn1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000080504346 454591680 /nfs/dbraw/zinc/59/16/80/454591680.db2.gz WFSGJFLJXMFTRS-FQEVSTJZSA-N 0 3 337.467 3.137 40 0 EGABHN Cc1ccc(CN2CCC[C@@]3(C[C@@H](Oc4ncccn4)CO3)C2)s1 ZINC000107228209 454747275 /nfs/dbraw/zinc/74/72/75/454747275.db2.gz HECZIZUNNFBAFD-CRAIPNDOSA-N 0 3 345.468 3.049 40 0 EGABHN CCN1CCC[C@H]1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000108907052 454816104 /nfs/dbraw/zinc/81/61/04/454816104.db2.gz ADKQBIMUXYEMLN-AAEUAGOBSA-N 0 3 345.270 3.361 40 0 EGABHN COc1ccc([C@@H](C)N[C@@H]2CCN(C(=O)C3CCCC3)C2)c(OC)c1 ZINC000127012527 454933012 /nfs/dbraw/zinc/93/30/12/454933012.db2.gz VTINTJNGDWCKSW-GDBMZVCRSA-N 0 3 346.471 3.146 40 0 EGABHN O=S1(=O)CCC[C@@H](NCCSCc2cccc3ccccc32)C1 ZINC000182565034 455541534 /nfs/dbraw/zinc/54/15/34/455541534.db2.gz DTFUCJMVZZMCOV-QGZVFWFLSA-N 0 3 349.521 3.240 40 0 EGABHN CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12Cc1ccccc1C2=O ZINC000248322756 455703786 /nfs/dbraw/zinc/70/37/86/455703786.db2.gz WWALFQLIWFZCOO-SIKLNZKXSA-N 0 3 349.430 3.107 40 0 EGABHN CCOc1ccc([C@@H]2SC(=N)N[C@H]2[C@@H](O)c2ccccc2)cc1 ZINC000248382081 455709531 /nfs/dbraw/zinc/70/95/31/455709531.db2.gz VVRSZSPECIFBQS-ULQDDVLXSA-N 0 3 328.437 3.290 40 0 EGABHN c1ccc2c(c1)NCCC[C@@H]2NCc1ccnc(O[C@@H]2CCOC2)c1 ZINC000193063780 455740534 /nfs/dbraw/zinc/74/05/34/455740534.db2.gz MIFREKNKZCZACN-APWZRJJASA-N 0 3 339.439 3.286 40 0 EGABHN CCc1nc2ccccc2n1C1CCN(Cc2ccnc(N)c2)CC1 ZINC000193469091 455760597 /nfs/dbraw/zinc/76/05/97/455760597.db2.gz AUIIFSUGIDGCES-UHFFFAOYSA-N 0 3 335.455 3.413 40 0 EGABHN CO[C@H](CN1CCC(C(=O)N[C@@H](C)C(C)C)CC1)c1ccccc1 ZINC000252491259 455812037 /nfs/dbraw/zinc/81/20/37/455812037.db2.gz LJVKCLCTHLTMOT-QFBILLFUSA-N 0 3 332.488 3.247 40 0 EGABHN Cn1cc(CN2CCC3(CO[C@H](Cc4ccc(F)cc4)C3)CC2)cn1 ZINC000257301228 455886617 /nfs/dbraw/zinc/88/66/17/455886617.db2.gz RXNQHRFKVDRUTM-LJQANCHMSA-N 0 3 343.446 3.173 40 0 EGABHN Cc1csc(NC(=O)C2(Cc3ccccc3F)CCN(C)CC2)n1 ZINC000257334670 455894484 /nfs/dbraw/zinc/89/44/84/455894484.db2.gz YGXMQPCVEJHWOE-UHFFFAOYSA-N 0 3 347.459 3.484 40 0 EGABHN COc1ccc([C@@H]2C[C@H](C)N(C(=O)C[C@@H](N)c3ccccc3)C2)cc1 ZINC000195544236 455982762 /nfs/dbraw/zinc/98/27/62/455982762.db2.gz DONGDOLUPYITIL-QKYXUNIQSA-N 0 3 338.451 3.490 40 0 EGABHN COc1ccccc1N1CCC[C@H](N[C@@H](C)c2cnn(C)c2C)C1 ZINC000195553594 455983213 /nfs/dbraw/zinc/98/32/13/455983213.db2.gz STZJFBOMRWTQRE-HOCLYGCPSA-N 0 3 328.460 3.057 40 0 EGABHN C[C@H](Cc1ccccc1)CN1CCCN(C(=O)c2ccncc2)CC1 ZINC000195569265 455985995 /nfs/dbraw/zinc/98/59/95/455985995.db2.gz IDUGHYPRXVNPLH-GOSISDBHSA-N 0 3 337.467 3.108 40 0 EGABHN C[C@@H](Cc1ccccc1)CN1CCCN(C(=O)c2ccncc2)CC1 ZINC000195569263 455986178 /nfs/dbraw/zinc/98/61/78/455986178.db2.gz IDUGHYPRXVNPLH-SFHVURJKSA-N 0 3 337.467 3.108 40 0 EGABHN CO[C@]1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCC[C@H](C)C1 ZINC000225634848 456100540 /nfs/dbraw/zinc/10/05/40/456100540.db2.gz OVNZGYXIATZWIR-HNAYVOBHSA-N 0 3 334.460 3.161 40 0 EGABHN CN1CCC(Nc2ccccc2NC(=O)[C@@H]2Cc3ccccc32)CC1 ZINC000390833717 457446634 /nfs/dbraw/zinc/44/66/34/457446634.db2.gz LXFCMCKFLDTOQA-GOSISDBHSA-N 0 3 335.451 3.471 40 0 EGABHN COc1ccc(NC(=O)NC[C@H]2CN(C)C[C@@H]2c2cccs2)cc1 ZINC000227150469 536798271 /nfs/dbraw/zinc/79/82/71/536798271.db2.gz XBOVYNUCTICSID-BBRMVZONSA-N 0 3 345.468 3.224 40 0 EGABHN O=C(CCCc1nc2ccccc2s1)NCCN1CCCCC1 ZINC000040107522 213265507 /nfs/dbraw/zinc/26/55/07/213265507.db2.gz JKFYUMDAWYZONU-UHFFFAOYSA-N 0 3 331.485 3.221 40 0 EGABHN Cc1cnc(NC(=O)CCc2cc(C)nc([C@@H]3CCCN3C)c2)s1 ZINC000072366844 216171646 /nfs/dbraw/zinc/17/16/46/216171646.db2.gz AQYGPWZOWCOIJE-INIZCTEOSA-N 0 3 344.484 3.493 40 0 EGABHN c1ccc(CC[N@@H+]2CCC[C@H]2c2ccnc([N-]c3cnccn3)n2)cc1 ZINC000072377572 216179979 /nfs/dbraw/zinc/17/99/79/216179979.db2.gz PTOVMDNXRSCZJI-SFHVURJKSA-N 0 3 346.438 3.390 40 0 EGABHN c1ccc(CC[N@H+]2CCC[C@H]2c2ccnc([N-]c3cnccn3)n2)cc1 ZINC000072377572 216179980 /nfs/dbraw/zinc/17/99/80/216179980.db2.gz PTOVMDNXRSCZJI-SFHVURJKSA-N 0 3 346.438 3.390 40 0 EGABHN CC(C)(C)OC(=O)NC1CCN(CCc2ccc3c(c2)CCO3)CC1 ZINC000072578083 216276891 /nfs/dbraw/zinc/27/68/91/216276891.db2.gz OUOUQGDCDKLUOC-UHFFFAOYSA-N 0 3 346.471 3.153 40 0 EGABHN C[C@H](CNC(=O)N(C)CC1CCN(C)CC1)Sc1ccccc1 ZINC000075805088 216657058 /nfs/dbraw/zinc/65/70/58/216657058.db2.gz KCWZMMPVOBUTOF-OAHLLOKOSA-N 0 3 335.517 3.150 40 0 EGABHN c1ncc(CN2CCC(c3ccnc(Nc4ccccn4)c3)CC2)[nH]1 ZINC000257218412 244173653 /nfs/dbraw/zinc/17/36/53/244173653.db2.gz DDBFEXYXYMIECM-UHFFFAOYSA-N 0 3 334.427 3.323 40 0 EGABHN COc1ccc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c(OC)c1 ZINC000019842182 212075628 /nfs/dbraw/zinc/07/56/28/212075628.db2.gz GYEMFVMJQAHSIM-ZIFCJYIRSA-N 0 3 342.483 3.034 40 0 EGABHN COCCN1CCC([C@@H]2CCCCN(Cc3ccccc3)C2=O)CC1 ZINC000019703715 212055409 /nfs/dbraw/zinc/05/54/09/212055409.db2.gz RRUWSKLKBUJUQR-FQEVSTJZSA-N 0 3 344.499 3.174 40 0 EGABHN CN1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)C1CC1 ZINC000019590801 212048004 /nfs/dbraw/zinc/04/80/04/212048004.db2.gz NMEDAYODZYVFBG-OTWHNJEPSA-N 0 3 330.447 3.405 40 0 EGABHN COc1cccc(CN2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1OC ZINC000019567948 212044093 /nfs/dbraw/zinc/04/40/93/212044093.db2.gz BKVRQJVVBDBNDZ-LZLYRXPVSA-N 0 3 330.472 3.010 40 0 EGABHN CCc1ccc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)o1 ZINC000019522920 212036844 /nfs/dbraw/zinc/03/68/44/212036844.db2.gz MNORGWWSWVOCMK-AWEZNQCLSA-N 0 3 339.443 3.155 40 0 EGABHN C[C@H](CN1CCc2nc([C@@H]3CCCCN3)ncc2C1)c1ccccc1 ZINC000019456387 212029761 /nfs/dbraw/zinc/02/97/61/212029761.db2.gz QFPMVKDOFNKWCF-UZLBHIALSA-N 0 3 336.483 3.453 40 0 EGABHN Cc1c(C(=O)NCCN2CCC(C)CC2)oc2c1[C@H](O)CC(C)(C)C2 ZINC000019565242 291523192 /nfs/dbraw/zinc/52/31/92/291523192.db2.gz MLUWTSDFRUDOKV-OAHLLOKOSA-N 0 3 348.487 3.056 40 0 EGABHN CCCN1CCC[C@@H]1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000079333636 217210264 /nfs/dbraw/zinc/21/02/64/217210264.db2.gz QIXKIQCDYRSKHS-DOTOQJQBSA-N 0 3 341.455 3.408 40 0 EGABHN CC(C)[C@H](N)C(=O)N(Cc1cccc(Br)c1)C(C)C ZINC000079420646 217223553 /nfs/dbraw/zinc/22/35/53/217223553.db2.gz CQOSJXBZPZISFH-AWEZNQCLSA-N 0 3 327.266 3.169 40 0 EGABHN Cc1ccc(Cl)cc1S(=O)(=O)NCC1CCN(C(C)C)CC1 ZINC000012441464 211383462 /nfs/dbraw/zinc/38/34/62/211383462.db2.gz MMZAVCUAKVSBKN-UHFFFAOYSA-N 0 3 344.908 3.047 40 0 EGABHN Fc1ccc(CN2CCC(c3nc(-c4ccncc4)n[nH]3)CC2)cc1 ZINC000012114889 211294622 /nfs/dbraw/zinc/29/46/22/211294622.db2.gz VTUNHFUQRPLRRI-UHFFFAOYSA-N 0 3 337.402 3.385 40 0 EGABHN O=C(Nc1cc(Cl)ccc1O)C1CCN(Cc2ccco2)CC1 ZINC000091933918 218091335 /nfs/dbraw/zinc/09/13/35/218091335.db2.gz AZRWKCJWEDCDBE-UHFFFAOYSA-N 0 3 334.803 3.489 40 0 EGABHN C[C@H](NCC1(N2CCCC2)CCOCC1)c1ncc(C(C)(C)C)o1 ZINC000095406478 218342324 /nfs/dbraw/zinc/34/23/24/218342324.db2.gz MHLYEXWUTBYEJQ-HNNXBMFYSA-N 0 3 335.492 3.268 40 0 EGABHN CN(C)C(=O)CC1CCC2(CC1)CCN(Cc1ccccn1)CC2 ZINC000096159361 276739941 /nfs/dbraw/zinc/73/99/41/276739941.db2.gz FDNFCUJGYOTTKK-UHFFFAOYSA-N 0 3 329.488 3.332 40 0 EGABHN CNC(=O)c1sc2nc([C@H]3CCCCN3CC3CC3)ccc2c1N ZINC000257323945 277262497 /nfs/dbraw/zinc/26/24/97/277262497.db2.gz WMNIPBDDHSRQHD-CQSZACIVSA-N 0 3 344.484 3.175 40 0 EGABHN O=C1C[C@@H](c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)N1 ZINC000096061416 280269707 /nfs/dbraw/zinc/26/97/07/280269707.db2.gz HLCJHXWYQKFIHZ-IBGZPJMESA-N 0 3 338.426 3.464 40 0 EGABHN CC(C)NC(=O)Nc1ccc(NC(=O)[C@@H](C2CC2)N2CCCC2)cc1 ZINC000097376344 323215521 /nfs/dbraw/zinc/21/55/21/323215521.db2.gz DESRGSWZAVBVEZ-QGZVFWFLSA-N 0 3 344.459 3.029 40 0 EGABHN C[C@@H](NC[C@H](O)c1ccccc1F)c1cccc(-n2ccnc2)c1 ZINC000189900251 455251768 /nfs/dbraw/zinc/25/17/68/455251768.db2.gz VTOCZENKZMWWPM-KUHUBIRLSA-N 0 3 325.387 3.396 40 0 EGABHN OC1(Cc2ccc(F)cc2F)C[C@H]2CC[C@@H](C1)N2Cc1ccncc1 ZINC000241301087 455266478 /nfs/dbraw/zinc/26/64/78/455266478.db2.gz LQGXZETUVHFAIK-UFRUDQCGSA-N 0 3 344.405 3.460 40 0 EGABHN CC(C)(CN[C@H](c1ccncc1)c1ccc(F)cc1)N1CCOCC1 ZINC000183297088 455273193 /nfs/dbraw/zinc/27/31/93/455273193.db2.gz BUQZZGCFJBQUBQ-IBGZPJMESA-N 0 3 343.446 3.011 40 0 EGABHN CN(C)CC(CN(C)C)C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000001591432 452669793 /nfs/dbraw/zinc/66/97/93/452669793.db2.gz VPVNBEBVBPCHMS-UHFFFAOYSA-N 0 3 326.440 3.401 40 0 EGABHN CC(C)(C)C(=O)N1CCCc2cc([C@@H](O)CN3CCCC3)ccc21 ZINC000012291600 453354019 /nfs/dbraw/zinc/35/40/19/453354019.db2.gz SNCOFFGAPUFHET-SFHVURJKSA-N 0 3 330.472 3.141 40 0 EGABHN Cc1ccc(C)c([C@@H](O)CN2CCC(Oc3cccnc3)CC2)c1 ZINC000019132013 453654494 /nfs/dbraw/zinc/65/44/94/453654494.db2.gz VTCRADOLORYNGX-FQEVSTJZSA-N 0 3 326.440 3.275 40 0 EGABHN Cc1cccc(-n2cccc2CN(CCN(C)C)Cc2ccccn2)n1 ZINC000019236400 453655103 /nfs/dbraw/zinc/65/51/03/453655103.db2.gz ALUQJZSEQXHZHV-UHFFFAOYSA-N 0 3 349.482 3.140 40 0 EGABHN CN(CCCNC(=O)N1CCc2ccccc2C1)Cc1ccccc1 ZINC000032795512 453891422 /nfs/dbraw/zinc/89/14/22/453891422.db2.gz RHXZYDLTUHRBRP-UHFFFAOYSA-N 0 3 337.467 3.276 40 0 EGABHN FC(F)(F)CN1CC[C@@H](N[C@H](c2ccccc2)c2ccncc2)C1 ZINC000095420997 454208579 /nfs/dbraw/zinc/20/85/79/454208579.db2.gz KFUKSQNHQYUDPH-IAGOWNOFSA-N 0 3 335.373 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/nfs/dbraw/zinc/31/20/15/454312015.db2.gz XUCSKECROGLCQN-ZWKOTPCHSA-N 0 3 329.469 3.013 40 0 EGABHN CCc1ccc(C(=O)N(C)C[C@H]2CCN(Cc3ccccc3)C2)o1 ZINC000096432956 454343696 /nfs/dbraw/zinc/34/36/96/454343696.db2.gz AZVYVHZIFMTEEM-QGZVFWFLSA-N 0 3 326.440 3.436 40 0 EGABHN CCn1nc(C)cc1C(=O)OC1CCN(Cc2ccsc2)CC1 ZINC000096442743 454350377 /nfs/dbraw/zinc/35/03/77/454350377.db2.gz XEACUFMCIDZIKL-UHFFFAOYSA-N 0 3 333.457 3.094 40 0 EGABHN O=C(Nc1cccc(F)c1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000096444418 454351684 /nfs/dbraw/zinc/35/16/84/454351684.db2.gz POPKMKSSLOFRKQ-UHFFFAOYSA-N 0 3 343.402 3.426 40 0 EGABHN Cc1ccc2[nH]c([C@H]3CCCN(C[C@H](O)COC(C)(C)C)C3)nc2c1 ZINC000096490646 454368607 /nfs/dbraw/zinc/36/86/07/454368607.db2.gz XKOYWPCBIOFVOA-HOTGVXAUSA-N 0 3 345.487 3.227 40 0 EGABHN Cc1ccc2nc([C@H]3CCCN(C[C@H](O)COC(C)(C)C)C3)[nH]c2c1 ZINC000096490646 454368611 /nfs/dbraw/zinc/36/86/11/454368611.db2.gz XKOYWPCBIOFVOA-HOTGVXAUSA-N 0 3 345.487 3.227 40 0 EGABHN COc1cc(Br)ccc1CNCCc1cscn1 ZINC000096500756 454372157 /nfs/dbraw/zinc/37/21/57/454372157.db2.gz UDHPTZCDRKQUFJ-UHFFFAOYSA-N 0 3 327.247 3.247 40 0 EGABHN CN1CCC(NC(=O)Nc2ccc(COc3ccccc3)cc2)CC1 ZINC000091203627 454408414 /nfs/dbraw/zinc/40/84/14/454408414.db2.gz YJZLWEXXJIYGHD-UHFFFAOYSA-N 0 3 339.439 3.481 40 0 EGABHN Cc1n[nH]cc1[C@@H](C)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000097233871 454428946 /nfs/dbraw/zinc/42/89/46/454428946.db2.gz SEQQJUWCRNUFSG-ACJLOTCBSA-N 0 3 348.878 3.096 40 0 EGABHN Cc1ccc(F)c(CN2CCC3(CC(NC(=O)N(C)C)C3)CC2)c1 ZINC000108530815 454801178 /nfs/dbraw/zinc/80/11/78/454801178.db2.gz UEDJWIYSXGXQAH-UHFFFAOYSA-N 0 3 333.451 3.150 40 0 EGABHN Cc1cccc(CN2CC[C@]3(CCC[C@@H]3C(=O)N3CCCC3)C2)n1 ZINC000108534703 454802573 /nfs/dbraw/zinc/80/25/73/454802573.db2.gz FVIFZRNMZLMNAK-UYAOXDASSA-N 0 3 327.472 3.005 40 0 EGABHN O[C@]1(c2cccnc2)CCC[C@H]2CN(Cc3cc(F)ccc3F)C[C@H]21 ZINC000248071522 455677767 /nfs/dbraw/zinc/67/77/67/455677767.db2.gz YHQYVBJFVDONSK-QMIHWGKISA-N 0 3 344.405 3.480 40 0 EGABHN Cc1nnc(CN(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)s1 ZINC000253418479 455843547 /nfs/dbraw/zinc/84/35/47/455843547.db2.gz QYXBSRYVHXQKCR-PBHICJAKSA-N 0 3 330.501 3.331 40 0 EGABHN CN1C(=O)C2(C[C@@H]1Cc1ccccc1)CCN(Cc1ccccn1)CC2 ZINC000257218794 455880353 /nfs/dbraw/zinc/88/03/53/455880353.db2.gz DEKXREJCYPDFRW-FQEVSTJZSA-N 0 3 349.478 3.137 40 0 EGABHN Cc1c[nH]c(-c2cc(C[C@@H]3CCCN(Cc4cccnc4)C3)ncn2)n1 ZINC000257297486 455885351 /nfs/dbraw/zinc/88/53/51/455885351.db2.gz RHLCEXUOMSKBBS-INIZCTEOSA-N 0 3 348.454 3.025 40 0 EGABHN CC(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2Cc1ccccn1 ZINC000257302517 455886980 /nfs/dbraw/zinc/88/69/80/455886980.db2.gz SDEWFVNQOITYAC-FKBYEOEOSA-N 0 3 349.478 3.451 40 0 EGABHN Cc1cccc(C)c1OCC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C ZINC000257341689 455895518 /nfs/dbraw/zinc/89/55/18/455895518.db2.gz ZLKVLRONZKTTBT-PXNSSMCTSA-N 0 3 330.472 3.158 40 0 EGABHN COC(=O)C[C@H](C)c1ccc(NC(=O)C2CCN(C3CC3)CC2)cc1 ZINC000225606135 456096940 /nfs/dbraw/zinc/09/69/40/456096940.db2.gz 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/nfs/dbraw/zinc/24/72/07/213247207.db2.gz HXCXUHSUKRUQLE-KRWDZBQOSA-N 0 3 346.390 3.115 40 0 EGABHN Cc1cc(Nc2ncccn2)cc([C@@H]2CCCN(c3ncccn3)C2)n1 ZINC000072354278 216162509 /nfs/dbraw/zinc/16/25/09/216162509.db2.gz BYBNTVPGMPDTFN-OAHLLOKOSA-N 0 3 347.426 3.098 40 0 EGABHN CCn1ccc2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)N4C)cc21 ZINC000072541546 216270231 /nfs/dbraw/zinc/27/02/31/216270231.db2.gz LXMWRWVSILGSKO-SJORKVTESA-N 0 3 326.444 3.362 40 0 EGABHN CC(C)n1nccc1CN1CCC[C@@H](c2ccnc(N(C)C)c2)C1 ZINC000257221778 244188476 /nfs/dbraw/zinc/18/84/76/244188476.db2.gz DQLMTTKQWZCDHF-QGZVFWFLSA-N 0 3 327.476 3.305 40 0 EGABHN Cc1ncsc1CN1CCC(c2nccnc2-c2ncc[nH]2)CC1 ZINC000257226069 244201044 /nfs/dbraw/zinc/20/10/44/244201044.db2.gz FJABULZLWUEZTH-UHFFFAOYSA-N 0 3 340.456 3.011 40 0 EGABHN Cc1cc(N(C)C)cc([C@@H]2CCN(Cc3nccn3C(C)C)C2)n1 ZINC000257230894 244212615 /nfs/dbraw/zinc/21/26/15/244212615.db2.gz GEKROWIXOSFKPU-MRXNPFEDSA-N 0 3 327.476 3.223 40 0 EGABHN CCOc1c(OC)cc(CNC[C@H](O)c2ccccc2F)cc1OC ZINC000078394130 217046482 /nfs/dbraw/zinc/04/64/82/217046482.db2.gz YRWBVQHRYOTQLP-INIZCTEOSA-N 0 3 349.402 3.065 40 0 EGABHN COc1ccc(OC)c(CNCCc2cc(F)cc3c2OCOC3)c1 ZINC000078552793 217074038 /nfs/dbraw/zinc/07/40/38/217074038.db2.gz JOLXRQOMZBFWKX-UHFFFAOYSA-N 0 3 347.386 3.042 40 0 EGABHN CN1CCN(c2ccccc2CNCc2cc(F)ccc2F)CC1 ZINC000078553870 217074956 /nfs/dbraw/zinc/07/49/56/217074956.db2.gz ITPNCYQHUVOCDS-UHFFFAOYSA-N 0 3 331.410 3.006 40 0 EGABHN COc1ccccc1/C=C/CNCc1ccccc1Cn1cncn1 ZINC000078979823 217163567 /nfs/dbraw/zinc/16/35/67/217163567.db2.gz OIVJKSYPGFFRME-UXBLZVDNSA-N 0 3 334.423 3.138 40 0 EGABHN C[C@H](NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nccs1 ZINC000079438489 217224515 /nfs/dbraw/zinc/22/45/15/217224515.db2.gz PMRWGBFRGXOQDE-QWHCGFSZSA-N 0 3 325.478 3.441 40 0 EGABHN C[S@](=O)c1ccc(CNCc2ccc(Br)cc2)cc1 ZINC000080344450 217299431 /nfs/dbraw/zinc/29/94/31/217299431.db2.gz DECUXJSSJGLRTF-LJQANCHMSA-N 0 3 338.270 3.476 40 0 EGABHN O=C(c1cccc(F)c1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000264237014 246225359 /nfs/dbraw/zinc/22/53/59/246225359.db2.gz YTISJOGWBJNHGD-UHFFFAOYSA-N 0 3 338.426 3.489 40 0 EGABHN Cc1[nH]c2ccc(C)cc2c1CC(=O)N(C)CCN1CCCCC1 ZINC000012360896 211355726 /nfs/dbraw/zinc/35/57/26/211355726.db2.gz WZJDAFHYGGFWIK-UHFFFAOYSA-N 0 3 327.472 3.272 40 0 EGABHN COc1ccccc1C1(O)CCN(C[C@H](O)c2ccc(C)cc2)CC1 ZINC000012292169 211334634 /nfs/dbraw/zinc/33/46/34/211334634.db2.gz HELWVCQFFKFPRP-IBGZPJMESA-N 0 3 341.451 3.021 40 0 EGABHN CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNC3CC3)cc12 ZINC000012186354 211313636 /nfs/dbraw/zinc/31/36/36/211313636.db2.gz XTGDSYZDKMIILJ-UHFFFAOYSA-N 0 3 336.439 3.263 40 0 EGABHN C[C@@H]1Cc2cc([C@H](O)CN3CCCC3)ccc2N1C(=O)C(C)(C)C ZINC000012181144 211310628 /nfs/dbraw/zinc/31/06/28/211310628.db2.gz WTNACWRXGAWWKC-RDTXWAMCSA-N 0 3 330.472 3.140 40 0 EGABHN O=C1C[C@@H](c2ccccc2)C2(CCN(Cc3ccsc3)CC2)N1 ZINC000096061414 284836471 /nfs/dbraw/zinc/83/64/71/284836471.db2.gz QSMWDTYVAVROMP-KRWDZBQOSA-N 0 3 326.465 3.386 40 0 EGABHN CCc1ccc(CN2CCC3(C[C@@H](NC(=O)C(C)C)CO3)CC2)cc1 ZINC000096220692 218697038 /nfs/dbraw/zinc/69/70/38/218697038.db2.gz QYBFCZYJNMXPEW-LJQANCHMSA-N 0 3 344.499 3.145 40 0 EGABHN CCN(CC)CCn1nc(Cc2ccccc2)c2ccccc2c1=O ZINC000005469654 210469331 /nfs/dbraw/zinc/46/93/31/210469331.db2.gz XFYGYJVVAFLKBB-UHFFFAOYSA-N 0 3 335.451 3.329 40 0 EGABHN CCN1CCN(c2ccc(NC(=O)c3cccc(F)c3)cc2)CC1 ZINC000005247218 210423344 /nfs/dbraw/zinc/42/33/44/210423344.db2.gz IEJWVRSNJJODKH-UHFFFAOYSA-N 0 3 327.403 3.220 40 0 EGABHN O=C(CNC1CCCCC1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000004894721 210314812 /nfs/dbraw/zinc/31/48/12/210314812.db2.gz HTMCNYQOMDJQAY-UHFFFAOYSA-N 0 3 343.471 3.174 40 0 EGABHN O[C@@H](CN1CCC[C@](O)(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000072343227 275051541 /nfs/dbraw/zinc/05/15/41/275051541.db2.gz FEYIPQUQFKKAGF-VQTJNVASSA-N 0 3 347.405 3.372 40 0 EGABHN CC(C)OC(C(=O)OCCN(C)C)(c1ccccc1)c1ccccc1 ZINC000001608967 452670440 /nfs/dbraw/zinc/67/04/40/452670440.db2.gz QFCJMIORRNDMRO-UHFFFAOYSA-N 0 3 341.451 3.460 40 0 EGABHN COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNC(C)(C)C)o2)c1 ZINC000006882557 453002757 /nfs/dbraw/zinc/00/27/57/453002757.db2.gz HDPSTCJNVOVQFN-UHFFFAOYSA-N 0 3 345.395 3.408 40 0 EGABHN CC[C@H](CO)NCc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000008337053 453193252 /nfs/dbraw/zinc/19/32/52/453193252.db2.gz UCUXXHDULSHQRV-GOSISDBHSA-N 0 3 329.440 3.443 40 0 EGABHN Cc1c(CN(C)C)c(=O)n2c3ccccc3nc2n1Cc1ccccc1 ZINC000013637036 453476653 /nfs/dbraw/zinc/47/66/53/453476653.db2.gz RCYJNHYMPNJLIU-UHFFFAOYSA-N 0 3 346.434 3.068 40 0 EGABHN COc1cccc(CN2CC[C@H](c3nc(C(C)(C)C)no3)C2)c1OC ZINC000019084641 453653519 /nfs/dbraw/zinc/65/35/19/453653519.db2.gz KULWHAUJSUQAKA-AWEZNQCLSA-N 0 3 345.443 3.374 40 0 EGABHN CC[C@@H](CNC(=O)c1cc(Br)ccc1F)N1CCCC1 ZINC000032660686 453882382 /nfs/dbraw/zinc/88/23/82/453882382.db2.gz LFOXPQSISXOWQB-LBPRGKRZSA-N 0 3 343.240 3.192 40 0 EGABHN Cc1cc(F)c(Br)cc1NC(=O)NC1CCN(C)CC1 ZINC000190931134 455408379 /nfs/dbraw/zinc/40/83/79/455408379.db2.gz DEYRKZANIQXGLP-UHFFFAOYSA-N 0 3 344.228 3.112 40 0 EGABHN COc1cccc(F)c1[C@H](C)NC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000245921152 455399689 /nfs/dbraw/zinc/39/96/89/455399689.db2.gz GZCPEZKKRYGDDM-SQWLQELKSA-N 0 3 349.450 3.021 40 0 EGABHN c1ccc(CCCN2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000058373227 454194692 /nfs/dbraw/zinc/19/46/92/454194692.db2.gz UMNUPCVEOAYZTN-UHFFFAOYSA-N 0 3 336.479 3.372 40 0 EGABHN Fc1cccnc1N[C@@H]1CO[C@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096047635 454269572 /nfs/dbraw/zinc/26/95/72/454269572.db2.gz OSNRCXSBVAZSAT-WMLDXEAASA-N 0 3 333.432 3.128 40 0 EGABHN Cc1ccc(N2CCC3(CCN(Cc4cccnc4)CC3)CC2)nn1 ZINC000096047353 454270592 /nfs/dbraw/zinc/27/05/92/454270592.db2.gz DSDFAQOAQQCAPU-UHFFFAOYSA-N 0 3 337.471 3.063 40 0 EGABHN c1cc(CN2CCC3(CC2)CCN(c2ncccn2)CC3)cs1 ZINC000096047339 454270623 /nfs/dbraw/zinc/27/06/23/454270623.db2.gz FFMJLDAHEYQYAM-UHFFFAOYSA-N 0 3 328.485 3.421 40 0 EGABHN Cc1nc(CN2C[C@@]3(CCN(Cc4ccsc4)C3)CC2=O)cs1 ZINC000096050900 454272584 /nfs/dbraw/zinc/27/25/84/454272584.db2.gz XGQZDSITFLDCJM-KRWDZBQOSA-N 0 3 347.509 3.138 40 0 EGABHN Cc1cccc(CN2CCC3(CC2)C(=O)N(C)[C@H]3c2ccccc2)n1 ZINC000096080434 454280058 /nfs/dbraw/zinc/28/00/58/454280058.db2.gz QDAXZSWWLVVHTK-IBGZPJMESA-N 0 3 335.451 3.186 40 0 EGABHN C[C@@H]1CCCCN1CCNC(=O)c1cccc(Br)c1 ZINC000046858930 454293140 /nfs/dbraw/zinc/29/31/40/454293140.db2.gz OUPARDCYGUDRBB-GFCCVEGCSA-N 0 3 325.250 3.053 40 0 EGABHN COc1cccc(CN2CCC3(CCN(C(=O)CC4CC4)C3)CC2)c1 ZINC000096157611 454294733 /nfs/dbraw/zinc/29/47/33/454294733.db2.gz RTAPLKWPNZWOTP-UHFFFAOYSA-N 0 3 342.483 3.310 40 0 EGABHN Cc1ncsc1CN1CC[C@]2(C1)C[C@@H](Nc1ccccn1)CCO2 ZINC000096207479 454304323 /nfs/dbraw/zinc/30/43/23/454304323.db2.gz QFUJNZILBSMKKM-MAUKXSAKSA-N 0 3 344.484 3.082 40 0 EGABHN Cc1cc(CN2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)oc1C ZINC000096221733 454308587 /nfs/dbraw/zinc/30/85/87/454308587.db2.gz GPZXHVJBMWYCSA-IBGZPJMESA-N 0 3 342.439 3.494 40 0 EGABHN O=C1N(Cc2cccnc2)CC[C@]12CCCN(Cc1ccsc1)C2 ZINC000096224315 454308612 /nfs/dbraw/zinc/30/86/12/454308612.db2.gz ASEREPJIONKQMT-IBGZPJMESA-N 0 3 341.480 3.158 40 0 EGABHN O=C(Nc1nnc(CC2CCCC2)s1)NC1CCN(C2CC2)CC1 ZINC000096404065 454323155 /nfs/dbraw/zinc/32/31/55/454323155.db2.gz DVIUSYKHGPUWSA-UHFFFAOYSA-N 0 3 349.504 3.019 40 0 EGABHN C[C@@H]1C[C@@H](C)CN(CCNC(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC000096414281 454331079 /nfs/dbraw/zinc/33/10/79/454331079.db2.gz DXCYJKXBVNVWOV-ZIAGYGMSSA-N 0 3 347.484 3.040 40 0 EGABHN CNS(=O)(=O)c1cccc([C@@H](C)NC[C@@H](C)c2ccsc2)c1 ZINC000096478872 454363570 /nfs/dbraw/zinc/36/35/70/454363570.db2.gz PZEDTZWYPKFARX-CHWSQXEVSA-N 0 3 338.498 3.111 40 0 EGABHN O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(CCc2ccncc2)C1 ZINC000096483687 454366196 /nfs/dbraw/zinc/36/61/96/454366196.db2.gz AESKDEZQMFYFSU-DLBZAZTESA-N 0 3 336.357 3.451 40 0 EGABHN O=C(c1ccc([O-])cc1)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000097103389 454407131 /nfs/dbraw/zinc/40/71/31/454407131.db2.gz ZQXOOYGZISWXFQ-UHFFFAOYSA-N 0 3 330.472 3.163 40 0 EGABHN CN1CC[C@]2(CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)C2)C1 ZINC000063527591 454421981 /nfs/dbraw/zinc/42/19/81/454421981.db2.gz QYCOQVRCOHYQEE-HNNXBMFYSA-N 0 3 330.325 3.012 40 0 EGABHN O[C@H](CN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)c1ccccc1 ZINC000182802938 455167190 /nfs/dbraw/zinc/16/71/90/455167190.db2.gz XGSSOBXZAQRMTC-LSDHHAIUSA-N 0 3 339.361 3.272 40 0 EGABHN Cc1ccc2cc(CN[C@@H]3CCN(C(=O)C4CCCC4)C3)ccc2n1 ZINC000189384790 455188103 /nfs/dbraw/zinc/18/81/03/455188103.db2.gz JDLMOPXWCCUWLP-LJQANCHMSA-N 0 3 337.467 3.424 40 0 EGABHN CCc1nc(C)cc(N2CCC[C@@H](N(C)Cc3ccccn3)CC2)n1 ZINC000252495010 455813612 /nfs/dbraw/zinc/81/36/12/455813612.db2.gz OKPDHPODWOFFTD-GOSISDBHSA-N 0 3 339.487 3.233 40 0 EGABHN COc1ccc([C@H](CN(C)C)NC(=O)c2sccc2Cl)cc1 ZINC000285883952 455934806 /nfs/dbraw/zinc/93/48/06/455934806.db2.gz CCGMOVPDMZSAFN-AWEZNQCLSA-N 0 3 338.860 3.443 40 0 EGABHN CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000195529736 455980066 /nfs/dbraw/zinc/98/00/66/455980066.db2.gz QIXKIQCDYRSKHS-NVXWUHKLSA-N 0 3 341.455 3.408 40 0 EGABHN C[C@H](NC(=O)Nc1ccccc1OCC(F)F)C1=CCN(C)CC1 ZINC000272664460 456031465 /nfs/dbraw/zinc/03/14/65/456031465.db2.gz IUUYYFGENGDCEC-LBPRGKRZSA-N 0 3 339.386 3.102 40 0 EGABHN OC1(c2csc(CN3CCC3)n2)CCN(CC2CCCCC2)CC1 ZINC000225421605 456081069 /nfs/dbraw/zinc/08/10/69/456081069.db2.gz QHEASQYTRHKGKB-UHFFFAOYSA-N 0 3 349.544 3.213 40 0 biogenic,in-vitro EGABHN COCCC1(CN2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)CCCCC1 ZINC000225478464 456085532 /nfs/dbraw/zinc/08/55/32/456085532.db2.gz SYVKWEDGZQGWQE-OKZBNKHCSA-N 0 3 325.493 3.242 40 0 EGABHN c1cncc(CN2CCC3(CC2)OCC[C@H]3CCOCC2CC2)c1 ZINC000585103905 459824067 /nfs/dbraw/zinc/82/40/67/459824067.db2.gz DPAZPOBSFLLKIB-LJQANCHMSA-N 0 3 330.472 3.269 40 0 EGABHN O=c1cc(-c2noc([C@H]3CCCN(Cc4ccccc4)C3)n2)cc[nH]1 ZINC000585141763 459830117 /nfs/dbraw/zinc/83/01/17/459830117.db2.gz XRBKHBRKHAQMBX-INIZCTEOSA-N 0 3 336.395 3.217 40 0 EGABHN CC(=O)N[C@H]1CCCN(Cc2cccnc2C)[C@H]1Cc1ccccc1 ZINC000585274837 459832544 /nfs/dbraw/zinc/83/25/44/459832544.db2.gz PCTJDWHYKFTYNC-SFTDATJTSA-N 0 3 337.467 3.102 40 0 EGABHN N[C@H](CC1CCCCC1)C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000261548988 1296592912 /nfs/dbraw/zinc/59/29/12/1296592912.db2.gz KCAMYHCPOHIDDV-GOSISDBHSA-N 0 3 326.444 3.168 40 0 EGABHN CN(C)CCN(Cc1cnn(-c2ccccc2)c1)Cc1cccs1 ZINC000023247870 282097707 /nfs/dbraw/zinc/09/77/07/282097707.db2.gz RMKXSVYKRFWAGL-UHFFFAOYSA-N 0 3 340.496 3.498 40 0 EGABHN CC1CCN(CCNC(=O)c2cc(Br)ccc2F)CC1 ZINC000040108058 213267521 /nfs/dbraw/zinc/26/75/21/213267521.db2.gz DXJQTIFOJUVHMA-UHFFFAOYSA-N 0 3 343.240 3.050 40 0 EGABHN CC(C)(C)OC(=O)N1CCC[C@H]1CNCc1ccc(Cl)nc1 ZINC000072203352 216069103 /nfs/dbraw/zinc/06/91/03/216069103.db2.gz IAULGULSVNYHHL-ZDUSSCGKSA-N 0 3 325.840 3.224 40 0 EGABHN c1ccc(CN2CCC(c3ccnc(Nc4cncnc4)n3)CC2)cc1 ZINC000072354958 216164340 /nfs/dbraw/zinc/16/43/40/216164340.db2.gz OHTLWQBNKSNWAQ-UHFFFAOYSA-N 0 3 346.438 3.390 40 0 EGABHN Cc1cc(C(=O)N2CCCCCCC2)nc(C2CCN(C)CC2)n1 ZINC000072369348 216176372 /nfs/dbraw/zinc/17/63/72/216176372.db2.gz DXNPLUYRLCPTLI-UHFFFAOYSA-N 0 3 330.476 3.001 40 0 EGABHN c1cn(-c2cncc([C@@H]3CCCN3CCCc3ccccc3)n2)cn1 ZINC000072378675 216182087 /nfs/dbraw/zinc/18/20/87/216182087.db2.gz GKWHWPSHQQWGHL-IBGZPJMESA-N 0 3 333.439 3.432 40 0 EGABHN COc1cc(OC)cc([C@H](O)CNCc2sccc2Cl)c1 ZINC000193113023 240027621 /nfs/dbraw/zinc/02/76/21/240027621.db2.gz VIZBKONCPNNFGI-CQSZACIVSA-N 0 3 327.833 3.242 40 0 EGABHN Cc1c[nH]c(-c2nccnc2CC2CCN(Cc3cccnc3)CC2)n1 ZINC000257226669 244202425 /nfs/dbraw/zinc/20/24/25/244202425.db2.gz FLPXRKSASAPBPW-UHFFFAOYSA-N 0 3 348.454 3.025 40 0 EGABHN Cc1ccsc1C(=O)N1CC[C@@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257230428 244210242 /nfs/dbraw/zinc/21/02/42/244210242.db2.gz GCGRFKGHBQZANS-CQSZACIVSA-N 0 3 329.469 3.456 40 0 EGABHN c1ncc(CN2CCC[C@H](c3ccnc(Nc4ccccn4)c3)C2)[nH]1 ZINC000257265439 244361103 /nfs/dbraw/zinc/36/11/03/244361103.db2.gz LYQWMSIWFKVYPQ-INIZCTEOSA-N 0 3 334.427 3.323 40 0 EGABHN O=C(Nc1cccc(Cn2cccn2)c1)C1CN(C2CCCCC2)C1 ZINC000019747543 212061174 /nfs/dbraw/zinc/06/11/74/212061174.db2.gz FGHOSVNECOSSEV-UHFFFAOYSA-N 0 3 338.455 3.134 40 0 EGABHN COc1cc(CN(C)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc(OC)c1 ZINC000019586390 212048344 /nfs/dbraw/zinc/04/83/44/212048344.db2.gz RJFILVSJAVXPAW-VQTJNVASSA-N 0 3 345.414 3.457 40 0 EGABHN CCC[C@H](C(=O)NC(C)(C)CN1CCCCC1)n1nc(C)cc1C ZINC000019501809 212033761 /nfs/dbraw/zinc/03/37/61/212033761.db2.gz DGOYDIQXHPHVOL-QGZVFWFLSA-N 0 3 334.508 3.222 40 0 EGABHN O=c1[nH]c(C2CCN(Cc3cccc(F)c3)CC2)cc2ncccc21 ZINC000019293810 212012626 /nfs/dbraw/zinc/01/26/26/212012626.db2.gz ZOXNDNVOQUHWPC-UHFFFAOYSA-N 0 3 337.398 3.442 40 0 EGABHN C[C@@H](NCc1ccsc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000078553329 217074724 /nfs/dbraw/zinc/07/47/24/217074724.db2.gz CENACLUGCMNJGZ-CQSZACIVSA-N 0 3 333.476 3.490 40 0 EGABHN OC1CCN(Cc2ccc(CNCc3cc(F)ccc3F)cc2)CC1 ZINC000078553927 217075663 /nfs/dbraw/zinc/07/56/63/217075663.db2.gz QAWFFGMSLLKKRU-UHFFFAOYSA-N 0 3 346.421 3.211 40 0 EGABHN CN(C)CCNc1ncc(-c2ccsc2)c(-c2cccnc2)n1 ZINC000012222345 211324046 /nfs/dbraw/zinc/32/40/46/211324046.db2.gz APGUOULLGASJHU-UHFFFAOYSA-N 0 3 325.441 3.241 40 0 EGABHN CC1CCC(N(Cc2ccc(C(=O)N(C)C)[nH]2)C[C@@H]2CCCO2)CC1 ZINC000093666320 218239749 /nfs/dbraw/zinc/23/97/49/218239749.db2.gz JPNXGZINKGWZIM-VJFUWPCTSA-N 0 3 347.503 3.276 40 0 EGABHN N=C1NC[C@H]2c3ccccc3Cc3cc(Br)ccc3N12 ZINC000044699381 274943019 /nfs/dbraw/zinc/94/30/19/274943019.db2.gz HQFMNGNBQOQKRX-HNNXBMFYSA-N 0 3 328.213 3.229 40 0 in-vitro EGABHN OCCO[C@H]1CC2(CCN(Cc3ccccn3)CC2)c2ccccc21 ZINC000096241577 275047486 /nfs/dbraw/zinc/04/74/86/275047486.db2.gz GCFQXAQKSWAVBI-FQEVSTJZSA-N 0 3 338.451 3.069 40 0 EGABHN Cc1cc(CCC(=O)Nc2ccon2)cc([C@@H]2CCCN2C(C)C)n1 ZINC000072366888 301269385 /nfs/dbraw/zinc/26/93/85/301269385.db2.gz CMQBTSAAJJCQQU-KRWDZBQOSA-N 0 3 342.443 3.495 40 0 EGABHN C[C@@H]1CCN(C(=O)Nc2ccn(CCN(C)C)n2)[C@@H](c2ccco2)C1 ZINC000097099181 323214827 /nfs/dbraw/zinc/21/48/27/323214827.db2.gz YMWJSNXPNPLHKF-HUUCEWRRSA-N 0 3 345.447 3.043 40 0 EGABHN COc1ccc([C@H](C)NC2CCN(c3nccs3)CC2)c(OC)c1 ZINC000097237312 323215511 /nfs/dbraw/zinc/21/55/11/323215511.db2.gz MNFUECLMDHNMQU-ZDUSSCGKSA-N 0 3 347.484 3.480 40 0 EGABHN CC(C)NC(=O)Nc1ccc(NC(=O)[C@H](C2CC2)N2CCCC2)cc1 ZINC000097376345 323215618 /nfs/dbraw/zinc/21/56/18/323215618.db2.gz DESRGSWZAVBVEZ-KRWDZBQOSA-N 0 3 344.459 3.029 40 0 EGABHN Cc1n[nH]cc1[C@H](C)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000180847528 455255302 /nfs/dbraw/zinc/25/53/02/455255302.db2.gz ZVKMZVYRPYPLMF-UGSOOPFHSA-N 0 3 348.878 3.096 40 0 EGABHN CCC(=O)O[C@@H](CN)[C@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000003845398 452785065 /nfs/dbraw/zinc/78/50/65/452785065.db2.gz FLMGZJLLDPIYRL-MJGOQNOKSA-N 0 3 325.408 3.324 40 0 EGABHN COc1cccc(CNC(C)(C)CO)c1OCc1ccccc1F ZINC000006883184 453004541 /nfs/dbraw/zinc/00/45/41/453004541.db2.gz IBPNKHOFFWXPPB-UHFFFAOYSA-N 0 3 333.403 3.274 40 0 EGABHN CN(Cc1ccccc1)C[C@@H](O)COCC1=CC[C@@H]2C[C@H]1C2(C)C ZINC000007063411 453027767 /nfs/dbraw/zinc/02/77/67/453027767.db2.gz JGQVYNOGQITPDG-VAMGGRTRSA-N 0 3 329.484 3.488 40 0 EGABHN COc1cc(CNC[C@H](C)O)ccc1OCc1cccc(Cl)c1 ZINC000008497990 453209694 /nfs/dbraw/zinc/20/96/94/453209694.db2.gz YEUPXFMOPNNXDG-ZDUSSCGKSA-N 0 3 335.831 3.398 40 0 EGABHN O=C1NC[C@H]([C@H]2CCCN(Cc3ccccc3)C2)Oc2ccccc21 ZINC000019371938 453656778 /nfs/dbraw/zinc/65/67/78/453656778.db2.gz GGNONQJFXASSTJ-FXAWDEMLSA-N 0 3 336.435 3.090 40 0 EGABHN CC(C(=O)NC(C)(C)C)S(=O)(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000044640201 454111731 /nfs/dbraw/zinc/11/17/31/454111731.db2.gz KOOLHIFJJWZZOL-ZDUSSCGKSA-N 0 3 339.501 3.202 40 0 EGABHN CC1CCC(N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)CC1 ZINC000058017041 454160599 /nfs/dbraw/zinc/16/05/99/454160599.db2.gz QXPFMRDNXAMFBZ-HWOWSKLDSA-N 0 3 343.471 3.261 40 0 EGABHN O=C(/C=C/c1ccsc1)NCC1CCN(c2ccncc2)CC1 ZINC000070928852 454186521 /nfs/dbraw/zinc/18/65/21/454186521.db2.gz YLWCWWMIBWIXET-OWOJBTEDSA-N 0 3 327.453 3.189 40 0 EGABHN CC1(C)[C@H]2C[C@@H]1C(COC[C@H](O)CN1CCc3ccccc3C1)=CC2 ZINC000058407787 454200638 /nfs/dbraw/zinc/20/06/38/454200638.db2.gz DCHBVYQEDRWVSH-NJDAHSKKSA-N 0 3 341.495 3.415 40 0 EGABHN C[C@H]1CCCCN1C(=O)CN1CCC(Cc2cccc(F)c2)CC1 ZINC000071953268 454261748 /nfs/dbraw/zinc/26/17/48/454261748.db2.gz RZFWELMXYDSSNH-INIZCTEOSA-N 0 3 332.463 3.481 40 0 EGABHN c1cc(CN2CC[C@@H]3O[C@@H](c4nnc(C5CC5)o4)C[C@H]3C2)cs1 ZINC000096045978 454268421 /nfs/dbraw/zinc/26/84/21/454268421.db2.gz BUIHCOLPTRDFPW-SOUVJXGZSA-N 0 3 331.441 3.361 40 0 EGABHN O=C(c1cccs1)N1CCC[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000096047005 454270274 /nfs/dbraw/zinc/27/02/74/454270274.db2.gz JQJWHWAMQRBVPZ-GOSISDBHSA-N 0 3 330.453 3.469 40 0 EGABHN O=C(c1ccco1)N1CCC2(CCN(Cc3ccccn3)CC2)CC1 ZINC000096047206 454270380 /nfs/dbraw/zinc/27/03/80/454270380.db2.gz OMBBLZXPVSOSSS-UHFFFAOYSA-N 0 3 339.439 3.193 40 0 EGABHN Cc1ccc(N[C@H]2CO[C@@]3(C2)CCCN(Cc2cccs2)C3)nn1 ZINC000096048434 454271735 /nfs/dbraw/zinc/27/17/35/454271735.db2.gz AWXCJRFHAIIYDH-CRAIPNDOSA-N 0 3 344.484 3.082 40 0 EGABHN Cn1ccc(C(=O)N[C@@H]2CCC23CCN(Cc2ccsc2)CC3)c1 ZINC000096051690 454272357 /nfs/dbraw/zinc/27/23/57/454272357.db2.gz ZGSQRHMBBDNECY-QGZVFWFLSA-N 0 3 343.496 3.261 40 0 EGABHN c1ccc(CN2CCCC[C@@H]2c2cccnc2N2CCNCC2)cc1 ZINC000072216368 454273649 /nfs/dbraw/zinc/27/36/49/454273649.db2.gz QZLMWDVOBILXFU-HXUWFJFHSA-N 0 3 336.483 3.218 40 0 EGABHN c1ccc2c(c1)[C@@H](N[C@@H]1CCOC1)CC21CCN(c2cccnc2)CC1 ZINC000096079016 454280596 /nfs/dbraw/zinc/28/05/96/454280596.db2.gz GXVCHHMBYMRFIC-UTKZUKDTSA-N 0 3 349.478 3.443 40 0 EGABHN COc1ccc2c(c1)C1(CCN(Cc3ccco3)CC1)N(C)CC2 ZINC000096100208 454282765 /nfs/dbraw/zinc/28/27/65/454282765.db2.gz MLDZVFJPUIKYQP-UHFFFAOYSA-N 0 3 326.440 3.267 40 0 EGABHN c1coc(CN2CCC3(CO[C@@H](COCc4cccnc4)C3)CC2)c1 ZINC000096106135 454283896 /nfs/dbraw/zinc/28/38/96/454283896.db2.gz VBAISRNXVALNHB-LJQANCHMSA-N 0 3 342.439 3.263 40 0 EGABHN CN(Cc1ccco1)C1CC2(C1)CCN(C(=O)c1cccn1C)CC2 ZINC000096159256 454295281 /nfs/dbraw/zinc/29/52/81/454295281.db2.gz AIKHPMZZRVXPML-UHFFFAOYSA-N 0 3 341.455 3.135 40 0 EGABHN c1csc(CN2CC[C@@H]3O[C@H](COCc4ccncc4)CC[C@@H]32)c1 ZINC000096186151 454299988 /nfs/dbraw/zinc/29/99/88/454299988.db2.gz PJCISBWYHOHDJT-WDSOQIARSA-N 0 3 344.480 3.482 40 0 EGABHN Cc1ccc(CN2CCC3(C[C@H](Oc4ccccn4)CO3)CC2)o1 ZINC000096205989 454304156 /nfs/dbraw/zinc/30/41/56/454304156.db2.gz VSQPZOBSIWQUAG-KRWDZBQOSA-N 0 3 328.412 3.186 40 0 EGABHN Cc1cccc(CN2CCCC[C@]23CCN(Cc2cccnc2)C3)n1 ZINC000096203149 454304233 /nfs/dbraw/zinc/30/42/33/454304233.db2.gz LQJQOSKRJGBEON-OAQYLSRUSA-N 0 3 336.483 3.416 40 0 EGABHN Cc1ccc(CN2CCC[C@]3(C[C@H](Oc4ncccn4)CO3)C2)s1 ZINC000096222576 454309227 /nfs/dbraw/zinc/30/92/27/454309227.db2.gz HECZIZUNNFBAFD-YJBOKZPZSA-N 0 3 345.468 3.049 40 0 EGABHN CCC1=N[C@@]2(CC[C@@H]3CN(Cc4cccc(Cl)c4)C[C@@H]32)C(=O)N1C ZINC000096261587 454315052 /nfs/dbraw/zinc/31/50/52/454315052.db2.gz KAKKINHLJHZXHJ-SIXWZSSISA-N 0 3 345.874 3.201 40 0 EGABHN O=C([C@H]1C[C@H]1c1cccnc1)N(CCN1CCCC1)c1ccccc1 ZINC000096416800 454332513 /nfs/dbraw/zinc/33/25/13/454332513.db2.gz AUURWOZHATUEAA-PMACEKPBSA-N 0 3 335.451 3.314 40 0 EGABHN C[C@@H](CC(=O)NC1CCN(C)CC1)c1ccccc1C(F)(F)F ZINC000096427036 454340309 /nfs/dbraw/zinc/34/03/09/454340309.db2.gz KIYVAVKUYIZYRB-LBPRGKRZSA-N 0 3 328.378 3.409 40 0 EGABHN CN(C)CCN(Cc1cccs1)C(=O)[C@@H]1CCOc2ccccc21 ZINC000096460362 454359547 /nfs/dbraw/zinc/35/95/47/454359547.db2.gz RETYTDZIQDJBET-QGZVFWFLSA-N 0 3 344.480 3.205 40 0 EGABHN c1cnn(-c2ccccc2CN2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000092661245 454603883 /nfs/dbraw/zinc/60/38/83/454603883.db2.gz LLGGLTLWFACTSM-IBGZPJMESA-N 0 3 341.455 3.032 40 0 EGABHN Cc1cccc(CN2CC3(CC2=O)CCN(Cc2ccncc2)CC3)c1 ZINC000108531372 454801618 /nfs/dbraw/zinc/80/16/18/454801618.db2.gz XAWSTRNTZOLVBW-UHFFFAOYSA-N 0 3 349.478 3.405 40 0 EGABHN CC(C)N1CCC[C@@H]1c1cccc(N2CC3(CCOCC3)OC2=O)n1 ZINC000257212580 455880011 /nfs/dbraw/zinc/88/00/11/455880011.db2.gz CEARBWSZRHKRRK-MRXNPFEDSA-N 0 3 345.443 3.133 40 0 EGABHN COCCN1CCC(C)(c2ncc(Cc3ccc(F)cc3)o2)CC1 ZINC000257290097 455884154 /nfs/dbraw/zinc/88/41/54/455884154.db2.gz QBOVKGBRSFODEZ-UHFFFAOYSA-N 0 3 332.419 3.404 40 0 EGABHN Cc1cccc(Nc2cnc([C@@H]3CCCN(Cc4cnc[nH]4)C3)cn2)n1 ZINC000257305319 455887758 /nfs/dbraw/zinc/88/77/58/455887758.db2.gz SPKDBHUXGDVDOA-OAHLLOKOSA-N 0 3 349.442 3.026 40 0 EGABHN Fc1ccc(CN2CCC3(CO[C@H](Cc4cnccn4)C3)CC2)cc1 ZINC000257327421 455893123 /nfs/dbraw/zinc/89/31/23/455893123.db2.gz XBGKCMBFQAWWBO-LJQANCHMSA-N 0 3 341.430 3.230 40 0 EGABHN CO[C@@]1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCC[C@@H](C)C1 ZINC000225634768 456100373 /nfs/dbraw/zinc/10/03/73/456100373.db2.gz OVNZGYXIATZWIR-BEFAXECRSA-N 0 3 334.460 3.161 40 0 EGABHN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)C[C@H](N)c3ccccc3)C2)cc1 ZINC000230458149 456138808 /nfs/dbraw/zinc/13/88/08/456138808.db2.gz DONGDOLUPYITIL-ZTNFWEORSA-N 0 3 338.451 3.490 40 0 EGABHN c1cc2n(n1)[C@@H](CN1CCCC1)CN(Cc1ccc3ccccc3n1)C2 ZINC000306142151 456566783 /nfs/dbraw/zinc/56/67/83/456566783.db2.gz WRNGLFDMVPIOGF-FQEVSTJZSA-N 0 3 347.466 3.084 40 0 EGABHN COc1ccc(CN2CCC[C@]3(CCC(=O)N3CCF)CC2)cc1 ZINC000585100808 459822998 /nfs/dbraw/zinc/82/29/98/459822998.db2.gz XHFGVTIGMBYCKZ-IBGZPJMESA-N 0 3 334.435 3.012 40 0 EGABHN Cc1cnc(NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)s1 ZINC000618882009 460205994 /nfs/dbraw/zinc/20/59/94/460205994.db2.gz PPBSDOZHFPFDAQ-UKRRQHHQSA-N 0 3 330.457 3.409 40 0 EGABHN CC(C)n1nccc1CN1CCC[C@H](c2ccnc(N(C)C)c2)C1 ZINC000257221777 535146768 /nfs/dbraw/zinc/14/67/68/535146768.db2.gz DQLMTTKQWZCDHF-KRWDZBQOSA-N 0 3 327.476 3.305 40 0 EGABHN CCc1ccc(CN2CC[C@@H]3O[C@@H](c4nnc(C5CC5)o4)C[C@H]3C2)o1 ZINC000097953890 219064810 /nfs/dbraw/zinc/06/48/10/219064810.db2.gz RXDINKOKOHENOX-RRQGHBQHSA-N 0 3 343.427 3.455 40 0 EGABHN CCc1nc2c(s1)[C@@H](N[C@@H]1CCN(c3ncccc3F)C1)CCC2 ZINC000168175285 529747620 /nfs/dbraw/zinc/74/76/20/529747620.db2.gz ZSFCETMPHHSSMS-OCCSQVGLSA-N 0 3 346.475 3.486 40 0 EGABHN COc1cccc(COC[C@@H](O)CN2CCc3sccc3[C@H]2C)c1 ZINC000040007552 213249744 /nfs/dbraw/zinc/24/97/44/213249744.db2.gz YYZCKVOFEQSCLK-ZBFHGGJFSA-N 0 3 347.480 3.254 40 0 EGABHN COC[C@@H](NCc1ccc(Br)s1)C1CCOCC1 ZINC000187849037 236316120 /nfs/dbraw/zinc/31/61/20/236316120.db2.gz IBXDFAWKAZJSQY-GFCCVEGCSA-N 0 3 334.279 3.042 40 0 EGABHN Cc1nc(Nc2ccccn2)cc([C@H]2CCCN2C2CCOCC2)n1 ZINC000072360360 216167637 /nfs/dbraw/zinc/16/76/37/216167637.db2.gz WSDNBXYQZPNLIX-QGZVFWFLSA-N 0 3 339.443 3.240 40 0 EGABHN CC(C)(C)C[N@@H+]1CCC[C@H](c2cnc([N-]c3ncccn3)cn2)C1 ZINC000072361894 216168328 /nfs/dbraw/zinc/16/83/28/216168328.db2.gz YKEJVWOGJKNQLL-AWEZNQCLSA-N 0 3 326.448 3.236 40 0 EGABHN CC(C)(C)C[N@H+]1CCC[C@H](c2cnc([N-]c3ncccn3)cn2)C1 ZINC000072361894 216168329 /nfs/dbraw/zinc/16/83/29/216168329.db2.gz YKEJVWOGJKNQLL-AWEZNQCLSA-N 0 3 326.448 3.236 40 0 EGABHN O[C@@H]1C[C@H](C2CCCCC2)N(Cc2nnc(-c3ccc(F)cc3)o2)C1 ZINC000072634623 216285534 /nfs/dbraw/zinc/28/55/34/216285534.db2.gz QVUWMUQYNWYQRJ-IAGOWNOFSA-N 0 3 345.418 3.391 40 0 EGABHN C[C@H](CN1CCC(N2CCCNC2=O)CC1)c1cccc(Cl)c1 ZINC000195573017 241020577 /nfs/dbraw/zinc/02/05/77/241020577.db2.gz HIMSCEBQEVPWSN-CQSZACIVSA-N 0 3 335.879 3.323 40 0 EGABHN COc1ccc(CCNCc2cnn(C3CCCC3)c2)cc1OC ZINC000256051301 244065546 /nfs/dbraw/zinc/06/55/46/244065546.db2.gz IPERODVPQZIIPB-UHFFFAOYSA-N 0 3 329.444 3.348 40 0 EGABHN Cc1noc(C)c1-c1ccc([C@@H]2CCCN(Cc3cnc[nH]3)C2)nc1 ZINC000257206135 244134058 /nfs/dbraw/zinc/13/40/58/244134058.db2.gz BCAFZROKBGMOOM-MRXNPFEDSA-N 0 3 337.427 3.456 40 0 EGABHN Cc1cccnc1Nc1nccnc1[C@@H]1CCCN(Cc2cnc[nH]2)C1 ZINC000257210431 244148960 /nfs/dbraw/zinc/14/89/60/244148960.db2.gz BUNXBFTWRXRXMD-OAHLLOKOSA-N 0 3 349.442 3.026 40 0 EGABHN COc1ccc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1OC ZINC000019880263 212078276 /nfs/dbraw/zinc/07/82/76/212078276.db2.gz COAFVAZGXRKZFS-NEWSRXKRSA-N 0 3 342.483 3.034 40 0 EGABHN CCC[C@@H](c1nnnn1C1CCCC1)N1CCN(C2CCCC2)CC1 ZINC000019501863 212033990 /nfs/dbraw/zinc/03/39/90/212033990.db2.gz BNYGELVXRSDKMT-SFHVURJKSA-N 0 3 346.523 3.190 40 0 EGABHN O=C1NC[C@H](C2CCN(Cc3cccs3)CC2)c2ccccc21 ZINC000019375017 212024699 /nfs/dbraw/zinc/02/46/99/212024699.db2.gz QAGYTTNMJHUXQF-GOSISDBHSA-N 0 3 326.465 3.487 40 0 EGABHN CN(CCOc1ccccc1)CCN(C)CCOc1ccccc1 ZINC000019365952 212023192 /nfs/dbraw/zinc/02/31/92/212023192.db2.gz KXWPZVZHGBFMFO-UHFFFAOYSA-N 0 3 328.456 3.008 40 0 EGABHN C[C@H](NCc1cccs1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000078553303 217075629 /nfs/dbraw/zinc/07/56/29/217075629.db2.gz PWUUBTKCOXEFGD-AWEZNQCLSA-N 0 3 333.476 3.490 40 0 EGABHN Cc1cccc(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000079289691 217204174 /nfs/dbraw/zinc/20/41/74/217204174.db2.gz WBJLMMKVVYHXDN-KRWDZBQOSA-N 0 3 341.430 3.058 40 0 EGABHN CC(C(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000079351975 217212662 /nfs/dbraw/zinc/21/26/62/217212662.db2.gz VSHIOCBZVJAMIH-CZUORRHYSA-N 0 3 337.485 3.081 40 0 EGABHN OC1(Cn2ccc3ncccc32)CCN(Cc2cccs2)CC1 ZINC000012337899 211351467 /nfs/dbraw/zinc/35/14/67/211351467.db2.gz WCDGUVFZWHVPIF-UHFFFAOYSA-N 0 3 327.453 3.125 40 0 EGABHN CN(C)CCNc1ncc(-c2cccs2)c(-c2nccs2)n1 ZINC000012325642 211349014 /nfs/dbraw/zinc/34/90/14/211349014.db2.gz JWDBLSOGZLWMMZ-UHFFFAOYSA-N 0 3 331.470 3.302 40 0 EGABHN COc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)cc1 ZINC000012135068 211300934 /nfs/dbraw/zinc/30/09/34/211300934.db2.gz IVHMOSKBUHYOLU-HTZLVSCSSA-N 0 3 338.451 3.210 40 0 EGABHN C[C@@H](NCCCNc1ccc(C(F)(F)F)cn1)c1cnccn1 ZINC000095420142 218360627 /nfs/dbraw/zinc/36/06/27/218360627.db2.gz OJLALHBDHATLEX-LLVKDONJSA-N 0 3 325.338 3.043 40 0 EGABHN CN1C(=O)C[C@@H](c2ccncc2)C12CCN(Cc1cccs1)CC2 ZINC000096199976 218671406 /nfs/dbraw/zinc/67/14/06/218671406.db2.gz IMGIYBXMGNBAEF-KRWDZBQOSA-N 0 3 341.480 3.124 40 0 EGABHN CN1CC[C@]2(C1)CCCN(C(=O)c1ccccc1C(F)(F)F)C2 ZINC000063527624 277184649 /nfs/dbraw/zinc/18/46/49/277184649.db2.gz DSUASNYEKBIOLK-INIZCTEOSA-N 0 3 326.362 3.263 40 0 EGABHN C=Cc1ccc(CN2CCC[C@@]3(C2)CNC(=O)c2ccccc2O3)cc1 ZINC000012087300 453346325 /nfs/dbraw/zinc/34/63/25/453346325.db2.gz BAGWNUBCHFBKCC-QFIPXVFZSA-N 0 3 348.446 3.487 40 0 EGABHN COc1ccc(CN2CC[C@H](O)[C@@H](C)C2)cc1Cc1c(C)noc1C ZINC000012188267 453350590 /nfs/dbraw/zinc/35/05/90/453350590.db2.gz IBMUQVSENUPZIY-DJJJIMSYSA-N 0 3 344.455 3.094 40 0 EGABHN CC[C@@H]1CCCCN1CC(=O)N1CCC(O)(c2cccc(C)c2)CC1 ZINC000013996259 453496111 /nfs/dbraw/zinc/49/61/11/453496111.db2.gz ZDDIRYNJMXEDFD-LJQANCHMSA-N 0 3 344.499 3.070 40 0 EGABHN COc1cccc(CN2CC[C@H]3[C@H]2CCCCCN3C(C)=O)c1OC ZINC000019712162 453658505 /nfs/dbraw/zinc/65/85/05/453658505.db2.gz OHTXZCKUYGPGPV-MSOLQXFVSA-N 0 3 346.471 3.069 40 0 EGABHN CSc1ccccc1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000070928496 454186513 /nfs/dbraw/zinc/18/65/13/454186513.db2.gz QZPMCOJJTOJCTC-UHFFFAOYSA-N 0 3 341.480 3.450 40 0 EGABHN Cc1ccc(NC(=O)CCN[C@@H](CC(C)C)c2ccccn2)nc1 ZINC000095422396 454208070 /nfs/dbraw/zinc/20/80/70/454208070.db2.gz QNNIEOZOFRCDLM-KRWDZBQOSA-N 0 3 326.444 3.491 40 0 EGABHN c1csc(CN2CCC3(CC2)CCN(Cc2cccnc2)CC3)n1 ZINC000096047219 454269838 /nfs/dbraw/zinc/26/98/38/454269838.db2.gz HPRXDHLLZGTUKK-UHFFFAOYSA-N 0 3 342.512 3.416 40 0 EGABHN O=C1N(Cc2cccc(F)c2)CC[C@@]12CCN(Cc1ccco1)C2 ZINC000096050610 454273189 /nfs/dbraw/zinc/27/31/89/454273189.db2.gz UEFDSVFJEHKYKE-LJQANCHMSA-N 0 3 328.387 3.043 40 0 EGABHN Cc1cccc(CN2CCC[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC000096216135 454305461 /nfs/dbraw/zinc/30/54/61/454305461.db2.gz OKOXZNXKKKMTLC-NRFANRHFSA-N 0 3 336.483 3.273 40 0 EGABHN OCCO[C@@H]1CC2(CCN(Cc3ccccn3)CC2)c2ccccc21 ZINC000096241576 454311848 /nfs/dbraw/zinc/31/18/48/454311848.db2.gz GCFQXAQKSWAVBI-HXUWFJFHSA-N 0 3 338.451 3.069 40 0 EGABHN Cc1nc(CNC(=O)c2oc3ccccc3c2CN(C)C)oc1C ZINC000096436188 454347335 /nfs/dbraw/zinc/34/73/35/454347335.db2.gz GXPFXKFPHZLTRE-UHFFFAOYSA-N 0 3 327.384 3.029 40 0 EGABHN C[C@H](Sc1ccccn1)C(=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000096461103 454359141 /nfs/dbraw/zinc/35/91/41/454359141.db2.gz YINHQZOOPVGNOS-HOTGVXAUSA-N 0 3 333.501 3.039 40 0 EGABHN CC(C)[C@@H](NCc1ccc(C(N)=O)cc1)c1ccc2c(c1)OCCO2 ZINC000048341516 454475209 /nfs/dbraw/zinc/47/52/09/454475209.db2.gz WTDTXAIQQNWHRV-LJQANCHMSA-N 0 3 340.423 3.044 40 0 EGABHN COc1ccc([C@H](C)N[C@H]2CCN(C(=O)C3CCCC3)C2)c(OC)c1 ZINC000127012754 454932826 /nfs/dbraw/zinc/93/28/26/454932826.db2.gz VTINTJNGDWCKSW-HOCLYGCPSA-N 0 3 346.471 3.146 40 0 EGABHN O=c1cc([C@@H]2CC[N@H+](C[C@@H]3CC=CCC3)C2)nc(-c2ccncc2)[n-]1 ZINC000247813178 455648041 /nfs/dbraw/zinc/64/80/41/455648041.db2.gz CAYHPOHBXLBIEM-NVXWUHKLSA-N 0 3 336.439 3.390 40 0 EGABHN O=c1cc([C@@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)nc(-c2ccncc2)[n-]1 ZINC000247813178 455648043 /nfs/dbraw/zinc/64/80/43/455648043.db2.gz CAYHPOHBXLBIEM-NVXWUHKLSA-N 0 3 336.439 3.390 40 0 EGABHN Cc1cnccc1CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000252508749 455817405 /nfs/dbraw/zinc/81/74/05/455817405.db2.gz XSKJUUMFJHBMBK-QGZVFWFLSA-N 0 3 346.862 3.146 40 0 EGABHN CC(=O)Nc1ccc(N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1 ZINC000252586766 455822404 /nfs/dbraw/zinc/82/24/04/455822404.db2.gz SJBMPBACTOFJLE-FOIQADDNSA-N 0 3 338.455 3.363 40 0 EGABHN Cc1nc(C)c(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)N3C)s1 ZINC000257288685 455884122 /nfs/dbraw/zinc/88/41/22/455884122.db2.gz PVDZPXDIKKNZAM-AFIMGQEJSA-N 0 3 333.501 3.237 40 0 EGABHN CO[C@H]1CCCOC12CCN(Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000257306675 455887573 /nfs/dbraw/zinc/88/75/73/455887573.db2.gz SVHUQMGGPSTOEF-SFHVURJKSA-N 0 3 341.455 3.237 40 0 EGABHN Cc1c(NC(=O)CNC[C@H]2CCCO2)cccc1OC1CCCC1 ZINC000195543425 455982335 /nfs/dbraw/zinc/98/23/35/455982335.db2.gz AAFIETLFRNSLGX-MRXNPFEDSA-N 0 3 332.444 3.024 40 0 EGABHN COc1cccc2c1CC[C@H]2N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000195540600 455982699 /nfs/dbraw/zinc/98/26/99/455982699.db2.gz QGGVCJSGNWAMFM-FZKQIMNGSA-N 0 3 345.464 3.437 40 0 EGABHN N[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000195542476 455982959 /nfs/dbraw/zinc/98/29/59/455982959.db2.gz KLEVRZSIYHMWCN-IEBWSBKVSA-N 0 3 340.492 3.197 40 0 EGABHN COc1cccc(CN2CC[C@H]3COC(=O)N3c3ccccc3C2)c1 ZINC000225483256 456087227 /nfs/dbraw/zinc/08/72/27/456087227.db2.gz JUEXGGGKHSNRPT-KRWDZBQOSA-N 0 3 338.407 3.426 40 0 biogenic,in-vitro EGABHN CC(C)(C)C[C@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000225548761 456092586 /nfs/dbraw/zinc/09/25/86/456092586.db2.gz NLYMZKJXYJDHJK-CJNGLKHVSA-N 0 3 327.465 3.327 40 0 EGABHN c1csc(CN2C[C@@H]3Cn4c(-c5ccccc5)cnc4C[C@@H]3C2)n1 ZINC000306137919 456567733 /nfs/dbraw/zinc/56/77/33/456567733.db2.gz RKCBXZLMELHCHT-HZPDHXFCSA-N 0 3 336.464 3.311 40 0 EGABHN CN1CCC(Nc2ccccc2NC(=O)[C@H]2Cc3ccccc32)CC1 ZINC000390833718 457446262 /nfs/dbraw/zinc/44/62/62/457446262.db2.gz LXFCMCKFLDTOQA-SFHVURJKSA-N 0 3 335.451 3.471 40 0 EGABHN CN(C)c1cc([C@@H]2CCCN(C(=O)c3[nH]nc4ccccc43)C2)ccn1 ZINC000257255744 536145578 /nfs/dbraw/zinc/14/55/78/536145578.db2.gz KIRKVNUMXYZKHY-OAHLLOKOSA-N 0 3 349.438 3.044 40 0 EGABHN COc1ccc([C@H](NCC(=O)N(C)Cc2ccco2)C(C)C)cc1 ZINC000049581076 214020054 /nfs/dbraw/zinc/02/00/54/214020054.db2.gz ZXDROBDKOWRHBA-LJQANCHMSA-N 0 3 330.428 3.234 40 0 EGABHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccncc1Cl ZINC000174428933 529955214 /nfs/dbraw/zinc/95/52/14/529955214.db2.gz SMGAXQXGVGIIJL-INIZCTEOSA-N 0 3 343.858 3.329 40 0 EGABHN CN(c1ccccc1CNc1cccc(CO)c1)C1CCN(C)CC1 ZINC000191946373 530037191 /nfs/dbraw/zinc/03/71/91/530037191.db2.gz OPUDNXPODVQGGY-UHFFFAOYSA-N 0 3 339.483 3.321 40 0 EGABHN CN(C)C1(CN(C)C(=O)N[C@@H](c2ccco2)c2ccccc2)CCC1 ZINC000186846596 236040113 /nfs/dbraw/zinc/04/01/13/236040113.db2.gz DINGDUQZKFONBR-GOSISDBHSA-N 0 3 341.455 3.495 40 0 EGABHN Cc1cc(Nc2ncccn2)cc([C@H]2CCCN(c3ncccn3)C2)n1 ZINC000072354279 216162414 /nfs/dbraw/zinc/16/24/14/216162414.db2.gz BYBNTVPGMPDTFN-HNNXBMFYSA-N 0 3 347.426 3.098 40 0 EGABHN Fc1ccc(CN2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)cc1 ZINC000072355443 216163503 /nfs/dbraw/zinc/16/35/03/216163503.db2.gz DYLDDWCYTGEHCU-INIZCTEOSA-N 0 3 337.402 3.181 40 0 EGABHN CN(C)Cc1ccc(C(N)=O)cc1N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000129541392 223067794 /nfs/dbraw/zinc/06/77/94/223067794.db2.gz QUIFLAZPYQRXLI-KGLIPLIRSA-N 0 3 343.393 3.380 40 0 EGABHN O=C(Nc1ccc2c(c1)NC(=O)CC2)[C@H]1CCCCN1C1CCCC1 ZINC000225804761 242044659 /nfs/dbraw/zinc/04/46/59/242044659.db2.gz CZUHJYVSZLKYSQ-GOSISDBHSA-N 0 3 341.455 3.307 40 0 EGABHN O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccccc3)N2Cc2ccncc2)N1 ZINC000257220130 244180721 /nfs/dbraw/zinc/18/07/21/244180721.db2.gz DJQUWBYDKSUXRE-AABGKKOBSA-N 0 3 335.451 3.456 40 0 EGABHN Cn1cc(CCC(=O)NCC(C)(C)N2CCCCC2)c2ccccc21 ZINC000019657527 212054871 /nfs/dbraw/zinc/05/48/71/212054871.db2.gz PUESJTHVOHYWKG-UHFFFAOYSA-N 0 3 341.499 3.492 40 0 EGABHN COc1ccc(CN2CC[C@@H](c3nc(-c4cccnc4)no3)C2)cc1 ZINC000019554920 212040855 /nfs/dbraw/zinc/04/08/55/212040855.db2.gz DIPGXDIVUVFCST-MRXNPFEDSA-N 0 3 336.395 3.130 40 0 EGABHN CCC[C@H](c1nnnn1C1CCCC1)N1CCN(C2CCCC2)CC1 ZINC000019501862 212034005 /nfs/dbraw/zinc/03/40/05/212034005.db2.gz BNYGELVXRSDKMT-GOSISDBHSA-N 0 3 346.523 3.190 40 0 EGABHN Cc1cc(C[C@@H]2COC[C@H]2NCc2ccc(OC(C)C)cc2)on1 ZINC000019120659 212001068 /nfs/dbraw/zinc/00/10/68/212001068.db2.gz PZGICOGAASAJCE-VQIMIIECSA-N 0 3 330.428 3.118 40 0 EGABHN CC(C(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000079351988 217212852 /nfs/dbraw/zinc/21/28/52/217212852.db2.gz VSHIOCBZVJAMIH-CJNGLKHVSA-N 0 3 337.485 3.081 40 0 EGABHN Cc1cccc(C2(O)CCN(C[C@H](O)c3ccc(F)cc3)CC2)c1 ZINC000012292403 211335039 /nfs/dbraw/zinc/33/50/39/211335039.db2.gz WPWBTWTZRIAURU-IBGZPJMESA-N 0 3 329.415 3.151 40 0 EGABHN Cc1cc2nc([C@H]3CCCN(Cc4ccc(F)cc4)C3)cc(N)n2n1 ZINC000012185885 211312940 /nfs/dbraw/zinc/31/29/40/211312940.db2.gz YHHQYRVLRKXMQZ-HNNXBMFYSA-N 0 3 339.418 3.139 40 0 EGABHN O=S(=O)(NCc1ccccc1CN1CCCCC1)c1ccccc1 ZINC000009453057 211085769 /nfs/dbraw/zinc/08/57/69/211085769.db2.gz LFLHFHZQNQGEDT-UHFFFAOYSA-N 0 3 344.480 3.151 40 0 EGABHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)CC2CCSCC2)C1 ZINC000095417000 218356956 /nfs/dbraw/zinc/35/69/56/218356956.db2.gz ZYPNJWXWCYLFHU-GOSISDBHSA-N 0 3 332.513 3.253 40 0 EGABHN O=c1oc(C(c2ccccc2)c2ccccc2)nn1CCN1CCCC1 ZINC000005002400 210357947 /nfs/dbraw/zinc/35/79/47/210357947.db2.gz VMVILNLQXBOZFX-UHFFFAOYSA-N 0 3 349.434 3.112 40 0 EGABHN CC(C)[C@H](NCC(=O)NC(=O)NC(C)(C)C)c1ccc(Cl)cc1 ZINC000057563043 280323533 /nfs/dbraw/zinc/32/35/33/280323533.db2.gz DALWWOACDTYXQY-HNNXBMFYSA-N 0 3 339.867 3.251 40 0 EGABHN C[C@H](CN[C@H]1CCCC[C@H]1S(C)(=O)=O)c1ccc(F)cc1F ZINC000245289755 289697902 /nfs/dbraw/zinc/69/79/02/289697902.db2.gz DWTLJCHKNYFOKD-XFBWCDHKSA-N 0 3 331.428 3.014 40 0 EGABHN CN(C(=O)Cc1nc(-c2ccc(F)cc2)cs1)[C@H]1CCCN(C)C1 ZINC000097097374 323214612 /nfs/dbraw/zinc/21/46/12/323214612.db2.gz NLSULLGZQMZDIC-HNNXBMFYSA-N 0 3 347.459 3.044 40 0 EGABHN CN1CCC[C@H]1COC(=O)[C@@H](c1ccccc1)C1(O)CCCCC1 ZINC000004962060 452827215 /nfs/dbraw/zinc/82/72/15/452827215.db2.gz UNEGQFUYGINFAB-ZWKOTPCHSA-N 0 3 331.456 3.103 40 0 EGABHN CCOc1ccc(CN2CCC[C@H](C(=O)N3CCCCC3)C2)cc1 ZINC000005959320 452914370 /nfs/dbraw/zinc/91/43/70/452914370.db2.gz DFTJGGTUHBQNFE-SFHVURJKSA-N 0 3 330.472 3.310 40 0 EGABHN S=C(N[C@H]1C[C@H]2CC[C@@H]1C2)NC1CCN(Cc2ccccc2)CC1 ZINC000007990768 453146099 /nfs/dbraw/zinc/14/60/99/453146099.db2.gz DEPXTJGCHSZECI-SCTDSRPQSA-N 0 3 343.540 3.304 40 0 EGABHN CCN1CCC[C@@H]1CNC(=O)Nc1c[nH]c2c(Cl)cccc2c1=O ZINC000013565995 453469958 /nfs/dbraw/zinc/46/99/58/453469958.db2.gz VLABRWPKKLAJHH-LLVKDONJSA-N 0 3 348.834 3.200 40 0 EGABHN C[C@@H](Oc1cccc2ccccc21)C(=O)NCCN1CCCCC1 ZINC000013709540 453483408 /nfs/dbraw/zinc/48/34/08/453483408.db2.gz VBIXTWSDCZDPDL-MRXNPFEDSA-N 0 3 326.440 3.209 40 0 EGABHN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000027932253 453821479 /nfs/dbraw/zinc/82/14/79/453821479.db2.gz WBVLCVHAYAQPDX-WCQYABFASA-N 0 3 343.254 3.067 40 0 EGABHN COc1ccc(C(=O)[C@H]2SC(=N)N[C@H]2c2ccc(OC)cc2)cc1 ZINC000033665197 453916357 /nfs/dbraw/zinc/91/63/57/453916357.db2.gz LRNIPQIMNMMAAB-RDJZCZTQSA-N 0 3 342.420 3.058 40 0 EGABHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)/C=C/c1cscn1 ZINC000076389828 453996549 /nfs/dbraw/zinc/99/65/49/453996549.db2.gz PHGKEJYLISEYIU-FDMDGMSGSA-N 0 3 341.480 3.279 40 0 EGABHN CCOc1cc([C@@H](N)c2n[nH]c(-c3ccc(F)cc3)n2)ccc1OC ZINC000095534353 454230778 /nfs/dbraw/zinc/23/07/78/454230778.db2.gz QHUJCHFIYGWNRD-MRXNPFEDSA-N 0 3 342.374 3.066 40 0 EGABHN CCOc1ccc([C@H](N)c2n[nH]c(-c3ccccc3C)n2)cc1OC ZINC000095534286 454230988 /nfs/dbraw/zinc/23/09/88/454230988.db2.gz SWIQPFZCWOEBNK-KRWDZBQOSA-N 0 3 338.411 3.236 40 0 EGABHN COC[C@]12CCCO[C@H]1CCN(Cc1ccc3ccccc3n1)C2 ZINC000096039143 454265400 /nfs/dbraw/zinc/26/54/00/454265400.db2.gz CIKOGMGUTKCFOG-VQTJNVASSA-N 0 3 326.440 3.252 40 0 EGABHN c1csc(CN2CCC3(C2)CCN(Cc2nccs2)CC3)n1 ZINC000096046615 454269744 /nfs/dbraw/zinc/26/97/44/454269744.db2.gz DUQHWLROKCAZKA-UHFFFAOYSA-N 0 3 334.514 3.088 40 0 EGABHN O=C1N(c2ccsc2)CC[C@]12CCCN(Cc1ccncc1)C2 ZINC000096048750 454271723 /nfs/dbraw/zinc/27/17/23/454271723.db2.gz YFJNZGRRUHFXTM-SFHVURJKSA-N 0 3 327.453 3.162 40 0 EGABHN c1cc(CN2CCC3(C[C@H](OCc4ccncc4)CO3)CC2)co1 ZINC000096106817 454284344 /nfs/dbraw/zinc/28/43/44/454284344.db2.gz XEQMLVJDMYHCRZ-SFHVURJKSA-N 0 3 328.412 3.015 40 0 EGABHN COc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1C ZINC000096125664 454289595 /nfs/dbraw/zinc/28/95/95/454289595.db2.gz NPCSKROGDNFYQF-UHFFFAOYSA-N 0 3 338.451 3.182 40 0 EGABHN Cc1ccc(N2CCC[C@]3(CCN(Cc4ccc(F)cc4)C3)C2)nn1 ZINC000096216988 454307703 /nfs/dbraw/zinc/30/77/03/454307703.db2.gz DBUNFDGAQHGFJG-HXUWFJFHSA-N 0 3 340.446 3.417 40 0 EGABHN Cc1cccc(CN2CCC[C@]3(C[C@H](Nc4cccnc4)CO3)C2)n1 ZINC000096222833 454308949 /nfs/dbraw/zinc/30/89/49/454308949.db2.gz IPUZESSZBBOFLB-PMACEKPBSA-N 0 3 338.455 3.021 40 0 EGABHN Cc1cccc(CN2CCC3(CC[C@@H](C(=O)NC(C)C)C3)CC2)n1 ZINC000096227846 454309303 /nfs/dbraw/zinc/30/93/03/454309303.db2.gz CAAJTGGNEIDVPR-QGZVFWFLSA-N 0 3 329.488 3.297 40 0 EGABHN Cc1nccn1Cc1ccc(NC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC000096427196 454340675 /nfs/dbraw/zinc/34/06/75/454340675.db2.gz UICMZCRIEZLHII-IBGZPJMESA-N 0 3 340.471 3.441 40 0 EGABHN COc1ccc([C@@H](C)NC[C@H]2Cc3ccccc3O2)cc1NC(C)=O ZINC000096476517 454363103 /nfs/dbraw/zinc/36/31/03/454363103.db2.gz XBMUGDYQLUDHJJ-CXAGYDPISA-N 0 3 340.423 3.308 40 0 EGABHN O[C@]1(c2nc(-c3cccc(CN4CCCCC4)c3)no2)CCSC1 ZINC000097103441 454407200 /nfs/dbraw/zinc/40/72/00/454407200.db2.gz NGXNWDHHRLRUCC-GOSISDBHSA-N 0 3 345.468 3.047 40 0 EGABHN C[C@@H](C1CC1)N(C)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000048309285 454472173 /nfs/dbraw/zinc/47/21/73/454472173.db2.gz UUXICRUWFHABRZ-ZDUSSCGKSA-N 0 3 346.862 3.254 40 0 EGABHN c1coc(-c2nnc([C@H]3CCN(Cc4ccc5c(c4)OCO5)C3)o2)c1 ZINC000049169508 454536976 /nfs/dbraw/zinc/53/69/76/454536976.db2.gz OCQBXSZQAJFGHW-ZDUSSCGKSA-N 0 3 339.351 3.048 40 0 biogenic,in-vitro EGABHN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NC1CCN(C)CC1 ZINC000113951210 454940605 /nfs/dbraw/zinc/94/06/05/454940605.db2.gz TZKUDYCCVFVUAA-LJQANCHMSA-N 0 3 326.440 3.208 40 0 EGABHN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN2CCC[C@H]2C1 ZINC000249840057 455778407 /nfs/dbraw/zinc/77/84/07/455778407.db2.gz WBVLCVHAYAQPDX-AAEUAGOBSA-N 0 3 343.254 3.067 40 0 EGABHN CS(=O)(=O)CCCCN1CCC[C@H]1[C@H]1CCCc2ccccc21 ZINC000252486184 455811259 /nfs/dbraw/zinc/81/12/59/455811259.db2.gz GMYMFWXGMSIVJE-OALUTQOASA-N 0 3 335.513 3.396 40 0 EGABHN C[C@@H]1CN(c2nccc(CN3CCC[C@@H]4CCCC[C@H]43)n2)C[C@H](C)O1 ZINC000253603293 455854977 /nfs/dbraw/zinc/85/49/77/455854977.db2.gz JSRKLFWAMGIZPM-MJQMVNBJSA-N 0 3 344.503 3.245 40 0 EGABHN Cc1ccsc1C(=O)N1CCO[C@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257287461 455882888 /nfs/dbraw/zinc/88/28/88/455882888.db2.gz PQCAZYSRFKLENH-INIZCTEOSA-N 0 3 345.468 3.040 40 0 EGABHN COCCN1CCC(c2cccc(-c3ccnn3C(C)C)n2)CC1 ZINC000257337104 455894448 /nfs/dbraw/zinc/89/44/48/455894448.db2.gz YRJOPULYBRHBRF-UHFFFAOYSA-N 0 3 328.460 3.352 40 0 EGABHN Cc1cn(C)c([C@H]2CCCN(Cc3c(C)nc4sccn34)C2)n1 ZINC000257338628 455896315 /nfs/dbraw/zinc/89/63/15/455896315.db2.gz YYGIHTFJUOCLIZ-AWEZNQCLSA-N 0 3 329.473 3.126 40 0 EGABHN CC(=O)N[C@H](C)C1CCN(Cc2ccc3nc(C)ccc3c2)CC1 ZINC000225481888 456086054 /nfs/dbraw/zinc/08/60/54/456086054.db2.gz UPTVHPAHYRGQQF-OAHLLOKOSA-N 0 3 325.456 3.280 40 0 EGABHN CCOC1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCCC1 ZINC000225706591 456104629 /nfs/dbraw/zinc/10/46/29/456104629.db2.gz CLPRDOVHZGUZIT-UHFFFAOYSA-N 0 3 346.471 3.449 40 0 EGABHN C[C@@H]1C[C@@H]1C(=O)N1CC[C@H](F)[C@@]2(CCN(Cc3ccsc3)C2)C1 ZINC000306144662 456569164 /nfs/dbraw/zinc/56/91/64/456569164.db2.gz ZLKROWIWYVFQCQ-GRZALLJUSA-N 0 3 336.476 3.167 40 0 EGABHN CC(=O)N[C@H]1CCCN(Cc2ncccc2C)[C@H]1Cc1ccccc1 ZINC000585268901 459832373 /nfs/dbraw/zinc/83/23/73/459832373.db2.gz CZSREKQWYJKKFU-FPOVZHCZSA-N 0 3 337.467 3.102 40 0 EGABHN CCOCCOc1ccc(CN(C)C[C@@H](O)c2ccccc2)cc1 ZINC000585269622 459832656 /nfs/dbraw/zinc/83/26/56/459832656.db2.gz CNBIIDWSNSSUHO-HXUWFJFHSA-N 0 3 329.440 3.267 40 0 EGABHN O=C(NCC1(N2CCCCC2)CCOCC1)c1csc(Cl)c1 ZINC000191559321 534810716 /nfs/dbraw/zinc/81/07/16/534810716.db2.gz HQLGFRFVUQFKQR-UHFFFAOYSA-N 0 3 342.892 3.166 40 0 EGABHN CC[C@@H]1CN(CCn2cccn2)CCN1C/C(C)=C/c1ccccc1 ZINC000678250402 549443670 /nfs/dbraw/zinc/44/36/70/549443670.db2.gz BMRRZDFLHCCNHB-WEIUTZTHSA-N 0 3 338.499 3.383 40 0 EGABHN CN(Cc1ccc(F)cc1)C[C@H](O)COCc1ccccc1Cl ZINC000068045959 215271869 /nfs/dbraw/zinc/27/18/69/215271869.db2.gz WEGQYKZIDMHISK-KRWDZBQOSA-N 0 3 337.822 3.489 40 0 EGABHN CCN(CC)[C@H](CNC(=O)c1cccc(C)n1)c1cccc(OC)c1 ZINC000037163011 213134248 /nfs/dbraw/zinc/13/42/48/213134248.db2.gz DCCGUNFJTRNZHX-LJQANCHMSA-N 0 3 341.455 3.212 40 0 EGABHN Cc1cc(NC(=O)CCc2cc(C)nc([C@H]3CCCN3C)c2)no1 ZINC000072360549 216167670 /nfs/dbraw/zinc/16/76/70/216167670.db2.gz JVBSCYVVGXSQML-MRXNPFEDSA-N 0 3 328.416 3.024 40 0 EGABHN COc1ccc(CN2CCC(c3nccnc3-n3ccnc3)CC2)cc1 ZINC000072350510 216162309 /nfs/dbraw/zinc/16/23/09/216162309.db2.gz QSTJPKSJWSWODG-UHFFFAOYSA-N 0 3 349.438 3.051 40 0 EGABHN CCN1CCC[C@@H]1CN(Cc1cccs1)Cc1cnc(C)n1C ZINC000022913596 212332862 /nfs/dbraw/zinc/33/28/62/212332862.db2.gz LMWNYAWYCYVLJM-MRXNPFEDSA-N 0 3 332.517 3.277 40 0 EGABHN CCOc1ccc(C(=O)NCCN2C[C@H](C)C[C@@H](C)C2)cc1OCC ZINC000225064910 241791017 /nfs/dbraw/zinc/79/10/17/241791017.db2.gz WSMFIQVWROSOMM-HZPDHXFCSA-N 0 3 348.487 3.192 40 0 EGABHN Cn1cncc1CN1CCC[C@@H](c2ccnc(Nc3ccccn3)c2)C1 ZINC000257206759 244135726 /nfs/dbraw/zinc/13/57/26/244135726.db2.gz BEUQNPJOSHKPIK-QGZVFWFLSA-N 0 3 348.454 3.333 40 0 EGABHN Cn1cncc1-c1cccc(C2CCN(Cc3cccnc3)CC2)n1 ZINC000257219541 244176763 /nfs/dbraw/zinc/17/67/63/244176763.db2.gz DHEAJODJHLBNAD-UHFFFAOYSA-N 0 3 333.439 3.257 40 0 EGABHN CC(C)[C@H]1COC(=O)N1c1cncc(C2CCN(C(C)C)CC2)n1 ZINC000257232334 244216952 /nfs/dbraw/zinc/21/69/52/244216952.db2.gz GKLGOKLMXUGXNJ-MRXNPFEDSA-N 0 3 332.448 3.046 40 0 EGABHN CN1CCN(CC2CC2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019589487 212049501 /nfs/dbraw/zinc/04/95/01/212049501.db2.gz SGJNVLLRZRUWMK-OAQYLSRUSA-N 0 3 349.478 3.091 40 0 EGABHN C[C@@H](CN1CCCCCC1)NC(=O)c1cc2ccc(N(C)C)cc2[nH]1 ZINC000019456151 212029428 /nfs/dbraw/zinc/02/94/28/212029428.db2.gz XTOSTLPCYIRVFO-HNNXBMFYSA-N 0 3 342.487 3.228 40 0 EGABHN CC(C)(C)OC(=O)N1CCC(NCc2c[nH]nc2C(C)(C)C)CC1 ZINC000078552704 217073223 /nfs/dbraw/zinc/07/32/23/217073223.db2.gz LEKDMRCTUOCUQX-UHFFFAOYSA-N 0 3 336.480 3.196 40 0 EGABHN C[C@@H](NC1(CNC(=O)CC(C)(C)C)CCOCC1)c1ccccc1 ZINC000079096458 217191844 /nfs/dbraw/zinc/19/18/44/217191844.db2.gz OADMYSFTVLZRCC-MRXNPFEDSA-N 0 3 332.488 3.439 40 0 EGABHN COc1ccc([C@@H]2[C@H](CNC(=O)c3ccoc3)CCCN2C)cc1 ZINC000110595899 220046485 /nfs/dbraw/zinc/04/64/85/220046485.db2.gz KHUKBMRDWWBWLO-MAUKXSAKSA-N 0 3 328.412 3.101 40 0 EGABHN O[C@@H]1C[C@@H](C2CCCCC2)N(Cc2nnc(-c3ccc(F)cc3)o2)C1 ZINC000110645464 220051193 /nfs/dbraw/zinc/05/11/93/220051193.db2.gz QVUWMUQYNWYQRJ-SJORKVTESA-N 0 3 345.418 3.391 40 0 EGABHN CC(C)=CCN1CCC(NC(=O)C[C@@H]2OCCc3ccccc32)CC1 ZINC000079361783 217216092 /nfs/dbraw/zinc/21/60/92/217216092.db2.gz QYYXHCZIWRATGQ-FQEVSTJZSA-N 0 3 342.483 3.237 40 0 EGABHN C[C@H]1Cc2cc([C@H](O)CN3CCCC3)ccc2N1C(=O)C(C)(C)C ZINC000012181146 211311271 /nfs/dbraw/zinc/31/12/71/211311271.db2.gz WTNACWRXGAWWKC-KBXCAEBGSA-N 0 3 330.472 3.140 40 0 EGABHN Cc1noc(C)c1CNCc1ccccc1N(C)C1CCN(C)CC1 ZINC000095410330 218347613 /nfs/dbraw/zinc/34/76/13/218347613.db2.gz PLUPGTXZTGIWOY-UHFFFAOYSA-N 0 3 342.487 3.112 40 0 EGABHN C[C@H](N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cnccn1 ZINC000095422509 218364734 /nfs/dbraw/zinc/36/47/34/218364734.db2.gz KNNJMFUADCRUNG-GXTWGEPZSA-N 0 3 336.361 3.425 40 0 EGABHN C[C@@H](NCCOc1ccc(F)cc1F)c1ccc([S@@](C)=O)cc1 ZINC000095423595 218366314 /nfs/dbraw/zinc/36/63/14/218366314.db2.gz YIFAOOGNRFZBDY-SPSFWMDKSA-N 0 3 339.407 3.432 40 0 EGABHN C[C@@H](C[C@@H](O)c1ccc(F)cc1)NCc1nc2ccccc2n1C ZINC000095448863 218393274 /nfs/dbraw/zinc/39/32/74/218393274.db2.gz CYNFPYSBPXAGLL-SCLBCKFNSA-N 0 3 327.403 3.314 40 0 EGABHN CNC(=O)C[C@H]1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21 ZINC000096241886 273948834 /nfs/dbraw/zinc/94/88/34/273948834.db2.gz DIBXHKLDBWQECN-SFHVURJKSA-N 0 3 349.478 3.239 40 0 EGABHN Cc1ccc2c(c1)CN(C(=O)C1CCCCC1)[C@@H](CN(C)C)CO2 ZINC000012406581 281065089 /nfs/dbraw/zinc/06/50/89/281065089.db2.gz DXVIGPRWTHAYMZ-SFHVURJKSA-N 0 3 330.472 3.227 40 0 EGABHN OCCN[C@@H](c1ccc(Cl)cc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000001555487 452668417 /nfs/dbraw/zinc/66/84/17/452668417.db2.gz FHGFQQXEMNVJIA-HOTGVXAUSA-N 0 3 326.223 3.350 40 0 EGABHN CCC(C)(C)NCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000012754927 453398044 /nfs/dbraw/zinc/39/80/44/453398044.db2.gz OZLZUDJAJKNHQU-UHFFFAOYSA-N 0 3 338.473 3.130 40 0 EGABHN Cc1ccc(NC(=[NH2+])Nc2nc3c(c(=O)[n-]2)CCCC3)cc1Cl ZINC000013634063 453476836 /nfs/dbraw/zinc/47/68/36/453476836.db2.gz DPCZSCACSOKIHA-UHFFFAOYSA-N 0 3 331.807 3.069 40 0 EGABHN CC(C)C[C@@H]([C@H](O)CO)N(Cc1ccccc1)Cc1ccccc1 ZINC000026897054 453807506 /nfs/dbraw/zinc/80/75/06/453807506.db2.gz GVDYINZRNZQJFW-LEWJYISDSA-N 0 3 327.468 3.457 40 0 EGABHN Cc1ncc(CNCc2cccc(-n3cncn3)c2)n1-c1ccccc1 ZINC000084044269 453966481 /nfs/dbraw/zinc/96/64/81/453966481.db2.gz VDIASJQSSVWUJO-UHFFFAOYSA-N 0 3 344.422 3.051 40 0 EGABHN CN1CCC(N(Cc2ccccc2)C(=O)c2ccc(Cl)cn2)CC1 ZINC000084259281 453981421 /nfs/dbraw/zinc/98/14/21/453981421.db2.gz DWWMLWWUTNDYQK-UHFFFAOYSA-N 0 3 343.858 3.472 40 0 EGABHN CCN1CCN(c2ccc3nc(-n4nc(C)cc4C)sc3c2)CC1 ZINC000057332245 454120219 /nfs/dbraw/zinc/12/02/19/454120219.db2.gz CDCBMYHIFYDLFA-UHFFFAOYSA-N 0 3 341.484 3.241 40 0 EGABHN Cc1cccc(CN2CC[C@@]3(CCN(Cc4cccnc4)C3)C2=O)c1 ZINC000096050578 454272445 /nfs/dbraw/zinc/27/24/45/454272445.db2.gz DNXQCBLDYYXZMZ-OAQYLSRUSA-N 0 3 335.451 3.015 40 0 EGABHN Fc1cccc(O[C@H]2C[C@H]3CN(Cc4cccs4)CCN3C2)c1 ZINC000096055135 454275142 /nfs/dbraw/zinc/27/51/42/454275142.db2.gz DMCBCGNLDSUMOU-RDJZCZTQSA-N 0 3 332.444 3.225 40 0 EGABHN O=C1N(c2cccnc2)CC[C@@]12CCCN(Cc1ccsc1)C2 ZINC000096074035 454279931 /nfs/dbraw/zinc/27/99/31/454279931.db2.gz JHRAGYGRNBWUOI-GOSISDBHSA-N 0 3 327.453 3.162 40 0 EGABHN c1cc(CN2CCC3(CO[C@H](COCc4ccncc4)C3)CC2)co1 ZINC000096106164 454283853 /nfs/dbraw/zinc/28/38/53/454283853.db2.gz QHKCIZAXUGEUPS-IBGZPJMESA-N 0 3 342.439 3.263 40 0 EGABHN c1ccc(CN2CCC3(C[C@H](OCC4CCOCC4)CO3)CC2)cc1 ZINC000096106686 454285153 /nfs/dbraw/zinc/28/51/53/454285153.db2.gz IOHNZTANPKJWHW-FQEVSTJZSA-N 0 3 345.483 3.253 40 0 EGABHN COc1ccc(CN2CCc3ncnc(-c4cccnc4)c3CC2)cc1 ZINC000096187604 454300288 /nfs/dbraw/zinc/30/02/88/454300288.db2.gz MBAWJKKBGFNRSM-UHFFFAOYSA-N 0 3 346.434 3.148 40 0 EGABHN c1cc(CN2CC[C@H]3OCC[C@@]3(CCNc3ccccn3)C2)co1 ZINC000096208143 454304370 /nfs/dbraw/zinc/30/43/70/454304370.db2.gz CPRJWJKJCJQGBC-MJGOQNOKSA-N 0 3 327.428 3.158 40 0 EGABHN COc1ccc2cc([C@@H](C)N3CCCN(C(C)=O)CC3)ccc2c1 ZINC000096443260 454351000 /nfs/dbraw/zinc/35/10/00/454351000.db2.gz OKUHUFXXVRXYKL-OAHLLOKOSA-N 0 3 326.440 3.464 40 0 EGABHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc(C)n1C ZINC000096441179 454351022 /nfs/dbraw/zinc/35/10/22/454351022.db2.gz YSGRKJFYMWSYFT-LJQANCHMSA-N 0 3 339.483 3.318 40 0 EGABHN COc1ccc2c(c1)OC[C@@H](N[C@H](C)c1cccc(NC(C)=O)c1)C2 ZINC000090964711 454355354 /nfs/dbraw/zinc/35/53/54/454355354.db2.gz HXGJAMMDBMOKFQ-ACJLOTCBSA-N 0 3 340.423 3.308 40 0 EGABHN Cc1cccnc1[C@H]1CCC[C@]2(C1)NC(=N)Nc1nc3ccccc3n12 ZINC000252498347 455814301 /nfs/dbraw/zinc/81/43/01/455814301.db2.gz QZFHGTFQYWCUMX-XOBRGWDASA-N 0 3 346.438 3.300 40 0 EGABHN Cc1nnc(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)o1 ZINC000253392690 455838340 /nfs/dbraw/zinc/83/83/40/455838340.db2.gz UCGOLJLZUKEFKF-VQTJNVASSA-N 0 3 348.450 3.136 40 0 EGABHN Cc1noc(C)c1-c1cc(C[C@H]2CCN(Cc3ccncc3)C2)ncn1 ZINC000257288688 455884346 /nfs/dbraw/zinc/88/43/46/455884346.db2.gz PVEIBDWQRQJGBS-QGZVFWFLSA-N 0 3 349.438 3.208 40 0 EGABHN C[C@@H](NC(=O)[C@@H]1NCCCC1(C)C)c1cccc(OC(F)F)c1 ZINC000261627999 455916283 /nfs/dbraw/zinc/91/62/83/455916283.db2.gz CQYGNGLNARSONR-RISCZKNCSA-N 0 3 326.387 3.243 40 0 EGABHN CS[C@@H]1CC[C@H](N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)C1 ZINC000195561670 455985164 /nfs/dbraw/zinc/98/51/64/455985164.db2.gz XXPXCJDQOBXUOB-SOUVJXGZSA-N 0 3 327.515 3.031 40 0 EGABHN Cc1ccc(F)c(NC(=O)N2CC[C@H](OCCN3CCCCC3)C2)c1 ZINC000195576327 455986857 /nfs/dbraw/zinc/98/68/57/455986857.db2.gz NOWVUMJJMKOQHS-INIZCTEOSA-N 0 3 349.450 3.243 40 0 EGABHN CN1CCC(Oc2ccc(NC(=O)Cc3ccccc3F)cc2)CC1 ZINC000225450317 456084339 /nfs/dbraw/zinc/08/43/39/456084339.db2.gz CLDWAINIAICPSS-UHFFFAOYSA-N 0 3 342.414 3.480 40 0 EGABHN CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](c1nc(-c2nc[n-]n2)no1)C(C)C ZINC000225515612 456089442 /nfs/dbraw/zinc/08/94/42/456089442.db2.gz KVFNNYDURKLOKJ-MJBXVCDLSA-N 0 3 330.436 3.134 40 0 EGABHN CN1CCC(Oc2ccc(NC(=O)Cc3ccc(F)cc3)cc2)CC1 ZINC000225694771 456104505 /nfs/dbraw/zinc/10/45/05/456104505.db2.gz IXHKDFOMGYDVGL-UHFFFAOYSA-N 0 3 342.414 3.480 40 0 EGABHN c1cc(CN2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)co1 ZINC000306138325 456568122 /nfs/dbraw/zinc/56/81/22/456568122.db2.gz RUWBVOBHKUCRTA-SFHVURJKSA-N 0 3 345.406 3.374 40 0 EGABHN CN(C)CCNC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000216250974 535889901 /nfs/dbraw/zinc/88/99/01/535889901.db2.gz AHYDRCLANBLLQH-UHFFFAOYSA-N 0 3 344.480 3.149 40 0 EGABHN CC[C@H](C)NC1=C2C=C([C@@H]3COc4ccccc4O3)S[C@H]2N=CN1 ZINC000225742347 1296137205 /nfs/dbraw/zinc/13/72/05/1296137205.db2.gz PPXWTWAXMMMNJH-NZRMSGFPSA-N 0 3 343.452 3.228 40 0 EGABHN CCOc1ccc(N2C(=O)C[C@@H](N[C@H]3CCC[C@H](C)[C@@H]3C)C2=O)cc1 ZINC000004648934 210236355 /nfs/dbraw/zinc/23/63/55/210236355.db2.gz UYNYFZVAQXLIGE-DFEHZGFQSA-N 0 3 344.455 3.132 40 0 EGABHN O=C1N[C@]2(C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)Nc2ccccc21 ZINC000100208127 219094434 /nfs/dbraw/zinc/09/44/34/219094434.db2.gz GCDQDEGRKPDDRC-LFUKPOHLSA-N 0 3 333.435 3.365 40 0 EGABHN O=C(NCCc1ccccc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038832951 213226589 /nfs/dbraw/zinc/22/65/89/213226589.db2.gz MNWQSRWGKHYJHJ-LJQANCHMSA-N 0 3 340.442 3.397 40 0 EGABHN CCc1ccc([C@@H](CNC(=O)/C=C/c2csc(C)n2)N(C)C)cc1 ZINC000032734224 212831123 /nfs/dbraw/zinc/83/11/23/212831123.db2.gz SIXRNEHYXWRACB-DOJUMQAQSA-N 0 3 343.496 3.446 40 0 EGABHN COc1cccc(CN2CC[C@@H](c3nc(-c4ccncc4)no3)C2)c1 ZINC000072389918 216189547 /nfs/dbraw/zinc/18/95/47/216189547.db2.gz KPBUCCPPRRGKAB-MRXNPFEDSA-N 0 3 336.395 3.130 40 0 EGABHN CN1C[C@H](c2cccs2)[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000227150485 242120928 /nfs/dbraw/zinc/12/09/28/242120928.db2.gz FVTHARXFFOEOLI-WFASDCNBSA-N 0 3 333.432 3.354 40 0 EGABHN Cc1ncc2cc(C3(C)CCN(Cc4cscn4)CC3)nc(C)n21 ZINC000257201107 244122611 /nfs/dbraw/zinc/12/26/11/244122611.db2.gz AGIDJZKFFWWHNK-UHFFFAOYSA-N 0 3 341.484 3.356 40 0 EGABHN C[C@]12C[C@@H](c3ccccc3)N(Cc3ccccn3)[C@H]1CCCC(=O)N2 ZINC000257267024 244362894 /nfs/dbraw/zinc/36/28/94/244362894.db2.gz MFQOIHPTKWSSLH-ZJOUEHCJSA-N 0 3 335.451 3.456 40 0 EGABHN COc1ccc2c(c1)c(C)c(C(=O)N1CCCC[C@@H]1CN(C)C)n2C ZINC000019565561 212043950 /nfs/dbraw/zinc/04/39/50/212043950.db2.gz GDFRYMKSDFOSGW-OAHLLOKOSA-N 0 3 343.471 3.052 40 0 EGABHN COc1ccc(OC)c(CN[C@@H]2COC[C@H]2c2ccc(F)cc2)c1 ZINC000019551721 212040730 /nfs/dbraw/zinc/04/07/30/212040730.db2.gz BBLHLVCBUHMRES-ZWKOTPCHSA-N 0 3 331.387 3.115 40 0 EGABHN CCCN1C[C@H](NC(=O)c2cccs2)[C@@H](c2ccc(OC)cc2)C1 ZINC000019503507 212035634 /nfs/dbraw/zinc/03/56/34/212035634.db2.gz LOQCKKOGWACVOQ-SJORKVTESA-N 0 3 344.480 3.365 40 0 EGABHN Cc1nc(CN2CCC(c3cc4nccnc4[nH]3)CC2)c2ccccn12 ZINC000019240712 212008515 /nfs/dbraw/zinc/00/85/15/212008515.db2.gz QUIYIMIBSFOTCW-UHFFFAOYSA-N 0 3 346.438 3.294 40 0 EGABHN CN1CCC(Oc2ccc(CNC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000078578681 217079693 /nfs/dbraw/zinc/07/96/93/217079693.db2.gz YWFIKKJULSREIJ-UHFFFAOYSA-N 0 3 342.414 3.229 40 0 EGABHN Cc1occc1C(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000079096173 217191663 /nfs/dbraw/zinc/19/16/63/217191663.db2.gz NIFRLIMTANQQDW-OAHLLOKOSA-N 0 3 342.439 3.218 40 0 EGABHN COc1ccccc1C1(O)CCN(C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000012292165 211334773 /nfs/dbraw/zinc/33/47/73/211334773.db2.gz HELWVCQFFKFPRP-LJQANCHMSA-N 0 3 341.451 3.021 40 0 EGABHN Clc1ccc(CN2CCC(c3[nH]nc4nccnc43)CC2)cc1 ZINC000012228311 211325209 /nfs/dbraw/zinc/32/52/09/211325209.db2.gz XKNOMVGWUPIEBR-UHFFFAOYSA-N 0 3 327.819 3.386 40 0 EGABHN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCC(C)(C)N1CCCCC1 ZINC000091595378 218029313 /nfs/dbraw/zinc/02/93/13/218029313.db2.gz KZPDDSIJNYBFES-INIZCTEOSA-N 0 3 347.507 3.138 40 0 EGABHN Cc1cccc([C@@H]2CN(Cc3ccccc3)C[C@]23CCCC(=O)N3)n1 ZINC000019236371 302028294 /nfs/dbraw/zinc/02/82/94/302028294.db2.gz SBKGYAZTPJJQNS-GHTZIAJQSA-N 0 3 335.451 3.028 40 0 EGABHN C[C@@H](NC[C@]1(CCO)CCOC1)c1ccc(Br)cc1F ZINC000127752218 323218761 /nfs/dbraw/zinc/21/87/61/323218761.db2.gz JNKJSUISNNGKRS-ABAIWWIYSA-N 0 3 346.240 3.028 40 0 EGABHN CCN(CC)CCOC(=O)[C@H](c1ccccc1)[C@@H](O)C1CCCC1 ZINC000001593593 452669383 /nfs/dbraw/zinc/66/93/83/452669383.db2.gz ZMMPWOWHQKYBOW-MOPGFXCFSA-N 0 3 333.472 3.206 40 0 EGABHN O[C@@H](CN1CCC[C@@](O)(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000012251837 453352797 /nfs/dbraw/zinc/35/27/97/453352797.db2.gz FEYIPQUQFKKAGF-PMACEKPBSA-N 0 3 347.405 3.372 40 0 EGABHN Cc1cc2nc(C3CCN(Cc4cccs4)CC3)cc(N)n2n1 ZINC000019129431 453654349 /nfs/dbraw/zinc/65/43/49/453654349.db2.gz AEMSPCKFDXHPQS-UHFFFAOYSA-N 0 3 327.457 3.061 40 0 EGABHN CC(C)C[C@@H]([C@@H](O)CO)N(Cc1ccccc1)Cc1ccccc1 ZINC000026897052 453807517 /nfs/dbraw/zinc/80/75/17/453807517.db2.gz GVDYINZRNZQJFW-SFTDATJTSA-N 0 3 327.468 3.457 40 0 EGABHN Cc1cc(N[C@@H](C)c2cnccn2)cc(N2CCN(C(C)C)CC2)c1 ZINC000190795521 455384507 /nfs/dbraw/zinc/38/45/07/455384507.db2.gz ASXWAOFUIYZMLT-KRWDZBQOSA-N 0 3 339.487 3.489 40 0 EGABHN CC[C@H](NC(=O)N1CC[C@@H](N2CCCC2)C1)c1cc(F)ccc1F ZINC000077873298 454164720 /nfs/dbraw/zinc/16/47/20/454164720.db2.gz XESIRCUUUJEKJY-PBHICJAKSA-N 0 3 337.414 3.296 40 0 EGABHN Cc1ccc([C@H](N)c2nc(COc3ccc(Cl)cc3)n[nH]2)cc1 ZINC000095534076 454230940 /nfs/dbraw/zinc/23/09/40/454230940.db2.gz NKOHFFYTTLKZGL-INIZCTEOSA-N 0 3 328.803 3.394 40 0 EGABHN Cc1ncsc1CN1CC[C@H]2OCCC[C@]2(COCC2CC2)C1 ZINC000096039918 454267025 /nfs/dbraw/zinc/26/70/25/454267025.db2.gz SEWYPOTXDYBQCO-QZTJIDSGSA-N 0 3 336.501 3.249 40 0 EGABHN CN(Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1ccoc1)CC2 ZINC000096048000 454271796 /nfs/dbraw/zinc/27/17/96/454271796.db2.gz RHNJGEROFFUWCM-QGZVFWFLSA-N 0 3 330.428 3.128 40 0 EGABHN Cc1nc(COC[C@@]23CCC[C@@H]2CN(Cc2cnn(C)c2)C3)cs1 ZINC000096109268 454286319 /nfs/dbraw/zinc/28/63/19/454286319.db2.gz LVXOAOXRPSUISR-AEFFLSMTSA-N 0 3 346.500 3.004 40 0 EGABHN O=C(C1CC=CC1)N1CCC2(CCN(Cc3ccccn3)CC2)CC1 ZINC000096158390 454295874 /nfs/dbraw/zinc/29/58/74/454295874.db2.gz HSOWIRKDEAFDPV-UHFFFAOYSA-N 0 3 339.483 3.252 40 0 EGABHN CN1C(=O)C[C@H](c2ccncc2)C12CCN(Cc1ccsc1)CC2 ZINC000096199977 454303113 /nfs/dbraw/zinc/30/31/13/454303113.db2.gz KAIAHKORFWXIJB-QGZVFWFLSA-N 0 3 341.480 3.124 40 0 EGABHN Fc1ccccc1CNC[C@H]1Cn2c(-c3ccccc3)cnc2CO1 ZINC000096269365 454314966 /nfs/dbraw/zinc/31/49/66/454314966.db2.gz DLLWHIPPZRGLMD-KRWDZBQOSA-N 0 3 337.398 3.378 40 0 biogenic,in-vitro EGABHN Cc1ccc(CNC(=O)c2oc3ccccc3c2CN(C)C)n1C ZINC000096435892 454347439 /nfs/dbraw/zinc/34/74/39/454347439.db2.gz HGYROHKEPQOFGQ-UHFFFAOYSA-N 0 3 325.412 3.071 40 0 EGABHN COc1cc(C)c([C@H](C)N[C@@H]2CCCN(C(C)C)C2=O)cc1OC ZINC000096449372 454355186 /nfs/dbraw/zinc/35/51/86/454355186.db2.gz JEVSAHRPPAVZMP-GOEBONIOSA-N 0 3 334.460 3.062 40 0 EGABHN CC[C@@](O)(CNCc1ccncc1)c1ccc(Br)cc1 ZINC000096473211 454362024 /nfs/dbraw/zinc/36/20/24/454362024.db2.gz MCQSXNUEOMAOBJ-MRXNPFEDSA-N 0 3 335.245 3.232 40 0 EGABHN C[C@H](NCc1ccnc(N2CCO[C@H](C)C2)c1)c1cccc(F)c1 ZINC000096479020 454364322 /nfs/dbraw/zinc/36/43/22/454364322.db2.gz WAWFYCZEFQWQGU-CABCVRRESA-N 0 3 329.419 3.297 40 0 EGABHN Cc1ccc(CN2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)s1 ZINC000107785614 454773370 /nfs/dbraw/zinc/77/33/70/454773370.db2.gz LTLFTHGJBMNQKT-AEFFLSMTSA-N 0 3 330.453 3.264 40 0 EGABHN C[C@@H]1CCCN(C(=O)CN[C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000110706930 454852264 /nfs/dbraw/zinc/85/22/64/454852264.db2.gz POCLFSSXHASQBC-LMMKCTJWSA-N 0 3 330.472 3.002 40 0 EGABHN CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](c1nc(-c2nc[n-]n2)no1)C(C)C ZINC000191109327 455444667 /nfs/dbraw/zinc/44/46/67/455444667.db2.gz KVFNNYDURKLOKJ-BFHYXJOUSA-N 0 3 330.436 3.134 40 0 EGABHN CN1CC[C@]2(c3ccccc3)CCN(C(=O)c3ccsc3)C[C@@H]12 ZINC000248161855 455690878 /nfs/dbraw/zinc/69/08/78/455690878.db2.gz XYEYHYGWKWWJAF-IEBWSBKVSA-N 0 3 326.465 3.236 40 0 EGABHN CC(C)COCCN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000252511075 455818390 /nfs/dbraw/zinc/81/83/90/455818390.db2.gz ZTEJLBHVLTZROH-UHFFFAOYSA-N 0 3 339.867 3.058 40 0 EGABHN Cc1cccc(CN2CCC[C@@H](Cc3cc(-c4ncc[nH]4)ncn3)C2)n1 ZINC000257314313 455888625 /nfs/dbraw/zinc/88/86/25/455888625.db2.gz UWJRVUBUMXPENO-INIZCTEOSA-N 0 3 348.454 3.025 40 0 EGABHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000195553916 455983687 /nfs/dbraw/zinc/98/36/87/455983687.db2.gz PAXSWWDWSTWKIY-SUNKGSAMSA-N 0 3 344.425 3.338 40 0 EGABHN C[C@H](NCc1cccc(C(=O)N(C)C)c1)c1cccc(-n2ccnc2)c1 ZINC000195577358 455987511 /nfs/dbraw/zinc/98/75/11/455987511.db2.gz HHTDHWTZUNZHLM-INIZCTEOSA-N 0 3 348.450 3.425 40 0 EGABHN CO[C@]1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCC[C@@H](C)C1 ZINC000225634795 456100149 /nfs/dbraw/zinc/10/01/49/456100149.db2.gz OVNZGYXIATZWIR-DNVCBOLYSA-N 0 3 334.460 3.161 40 0 EGABHN CCOC(C)(C)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225647262 456100299 /nfs/dbraw/zinc/10/02/99/456100299.db2.gz XNBCBRZUCDYZBW-UHFFFAOYSA-N 0 3 334.460 3.305 40 0 EGABHN CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225688338 456104378 /nfs/dbraw/zinc/10/43/78/456104378.db2.gz WRBCMMNWHSVATG-IBGZPJMESA-N 0 3 336.476 3.407 40 0 EGABHN COc1ccc(F)cc1-c1ccc2nc([C@H]3CCCN(C)C3)nn2c1 ZINC000306139416 456568056 /nfs/dbraw/zinc/56/80/56/456568056.db2.gz SWSWCXVAGLJNLB-AWEZNQCLSA-N 0 3 340.402 3.353 40 0 EGABHN COc1ccc(OC)c(C(=O)N2CCC[C@]3(CCN3CC(C)C)C2)c1 ZINC000585101796 459823435 /nfs/dbraw/zinc/82/34/35/459823435.db2.gz HBUMAJDEKHPLGZ-FQEVSTJZSA-N 0 3 346.471 3.040 40 0 EGABHN COc1ccccc1CNC[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000585141362 459830077 /nfs/dbraw/zinc/83/00/77/459830077.db2.gz UNCIYNDMNRQTJD-ZDUSSCGKSA-N 0 3 344.402 3.333 40 0 EGABHN CC(=O)N[C@H]1CCCN(Cc2cccc(C)n2)[C@H]1Cc1ccccc1 ZINC000585268805 459832826 /nfs/dbraw/zinc/83/28/26/459832826.db2.gz AAIUVGWCBINZNC-SFTDATJTSA-N 0 3 337.467 3.102 40 0 EGABHN Cc1ncccc1Oc1cncc([C@@H]2CCCN2C2CCOCC2)n1 ZINC000072384253 216185171 /nfs/dbraw/zinc/18/51/71/216185171.db2.gz DBINZHSLNFJLJU-KRWDZBQOSA-N 0 3 340.427 3.288 40 0 EGABHN C[C@H]1CCCN(Cc2cc(-c3ccc(F)cc3)cn3nnnc23)C1 ZINC000072392332 216190699 /nfs/dbraw/zinc/19/06/99/216190699.db2.gz FIHYSXHRGAYYAZ-ZDUSSCGKSA-N 0 3 325.391 3.162 40 0 EGABHN COc1cccc(CNCc2cc(-c3ccccc3)cn3nnnc23)c1 ZINC000072392319 216191370 /nfs/dbraw/zinc/19/13/70/216191370.db2.gz VLOKACINWGWUFS-UHFFFAOYSA-N 0 3 345.406 3.090 40 0 EGABHN CCOC(=O)[C@]1(Cc2cc(-c3cccc(C)c3)no2)CCCNC1 ZINC000072394515 216192820 /nfs/dbraw/zinc/19/28/20/216192820.db2.gz ZQHHANXGKBZVHR-IBGZPJMESA-N 0 3 328.412 3.125 40 0 EGABHN C[C@@H](NCc1ccnc(N)c1)c1cccc(OCc2ccccn2)c1 ZINC000193479959 240182154 /nfs/dbraw/zinc/18/21/54/240182154.db2.gz NNGRJRCLODEDJQ-OAHLLOKOSA-N 0 3 334.423 3.489 40 0 EGABHN CC(=O)Nc1ccc(CNC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000022095720 212276362 /nfs/dbraw/zinc/27/63/62/212276362.db2.gz FZOHUOJMVCQXKD-SFHVURJKSA-N 0 3 327.428 3.165 40 0 EGABHN Cc1cccc(NC(=S)NCCCN2CCc3ccccc3C2)n1 ZINC000225744327 242014822 /nfs/dbraw/zinc/01/48/22/242014822.db2.gz QCFHAJVSEDSXOU-UHFFFAOYSA-N 0 3 340.496 3.125 40 0 EGABHN COCCN1CCC[C@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 ZINC000257247842 244261074 /nfs/dbraw/zinc/26/10/74/244261074.db2.gz JAUUQIVLCQNDFI-HNNXBMFYSA-N 0 3 332.835 3.163 40 0 EGABHN O=C(CC(F)(F)F)N1CCC[C@H]1c1cccc(CN2CCCC2)n1 ZINC000257263518 244352080 /nfs/dbraw/zinc/35/20/80/244352080.db2.gz LQHJHYQEGAAIIO-HNNXBMFYSA-N 0 3 341.377 3.293 40 0 EGABHN CN(C)c1ncccc1CN1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 ZINC000019719786 212057299 /nfs/dbraw/zinc/05/72/99/212057299.db2.gz JWWTVFSZZVAWLY-INIZCTEOSA-N 0 3 349.482 3.479 40 0 EGABHN CC[C@H](c1nnnn1C1CCCCC1)N1CCN(C2CCCC2)CC1 ZINC000019500613 212033217 /nfs/dbraw/zinc/03/32/17/212033217.db2.gz ZRSBGCKVXBWYKF-GOSISDBHSA-N 0 3 346.523 3.190 40 0 EGABHN COc1cc(CN[C@H]2CCN(c3ccccc3)C2)cc(OC)c1OC ZINC000078604215 217085614 /nfs/dbraw/zinc/08/56/14/217085614.db2.gz OBVGDZXQRVVOQW-INIZCTEOSA-N 0 3 342.439 3.081 40 0 EGABHN C[C@H](NC(=O)N(C)CC1CCN(C)CC1)c1csc(C2CC2)n1 ZINC000079036666 217178793 /nfs/dbraw/zinc/17/87/93/217178793.db2.gz GKKJBRLQXQNTRE-LBPRGKRZSA-N 0 3 336.505 3.065 40 0 EGABHN O[C@H]1C[C@@H](C2CCCCC2)N(Cc2nnc(-c3ccc(F)cc3)o2)C1 ZINC000110645461 220051487 /nfs/dbraw/zinc/05/14/87/220051487.db2.gz QVUWMUQYNWYQRJ-IRXDYDNUSA-N 0 3 345.418 3.391 40 0 EGABHN C[C@H](CC(=O)c1ccccc1F)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000080086821 217278072 /nfs/dbraw/zinc/27/80/72/217278072.db2.gz OWQNMEZCTUYOIS-HUUCEWRRSA-N 0 3 346.446 3.168 40 0 EGABHN CCOC(=O)[C@]1(Cc2cc(-c3ccccc3C)no2)CCCNC1 ZINC000012275197 211332986 /nfs/dbraw/zinc/33/29/86/211332986.db2.gz SPKNVWMZDYTDAL-IBGZPJMESA-N 0 3 328.412 3.125 40 0 EGABHN C[C@@H](N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cnccn1 ZINC000095422512 218365167 /nfs/dbraw/zinc/36/51/67/218365167.db2.gz KNNJMFUADCRUNG-OCCSQVGLSA-N 0 3 336.361 3.425 40 0 EGABHN CCC[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccccc1 ZINC000101039444 276051138 /nfs/dbraw/zinc/05/11/38/276051138.db2.gz GIMFMMZYZOBIBJ-RCCFBDPRSA-N 0 3 336.391 3.165 40 0 EGABHN CC(=O)O[C@@]1(c2ccccc2)CCN(C)C[C@@H]1C(=O)c1ccccc1 ZINC000004720806 278221514 /nfs/dbraw/zinc/22/15/14/278221514.db2.gz NFJIYNMGCOTJRP-TZIWHRDSSA-N 0 3 337.419 3.280 40 0 EGABHN CN1CCc2ncnc(Sc3nc4ccccc4n3C(F)F)c2C1 ZINC000239869324 455262676 /nfs/dbraw/zinc/26/26/76/455262676.db2.gz CYGSOIHYEQTLBF-UHFFFAOYSA-N 0 3 347.394 3.361 40 0 EGABHN C[C@H]1CCc2c(sc3nc(C4CC4)nc(N4CCNCC4)c23)C1 ZINC000004847589 452821922 /nfs/dbraw/zinc/82/19/22/452821922.db2.gz VUCZIMVZCWWWDQ-NSHDSACASA-N 0 3 328.485 3.103 40 0 EGABHN CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(OC)cc1 ZINC000008254542 453182483 /nfs/dbraw/zinc/18/24/83/453182483.db2.gz JWOGFMKSEOYXAQ-OFQRWUPVSA-N 0 3 333.501 3.102 40 0 biogenic,in-vitro EGABHN CC[C@H](CO)NCc1cccc(OC)c1OCc1ccccc1F ZINC000008337132 453194271 /nfs/dbraw/zinc/19/42/71/453194271.db2.gz MZUUMXFTUINPAY-MRXNPFEDSA-N 0 3 333.403 3.274 40 0 EGABHN C=Cc1ccc(CN2CCC[C@]3(C2)CNC(=O)c2ccccc2O3)cc1 ZINC000012087299 453346288 /nfs/dbraw/zinc/34/62/88/453346288.db2.gz BAGWNUBCHFBKCC-JOCHJYFZSA-N 0 3 348.446 3.487 40 0 EGABHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccccn4)[C@H]3C=C12 ZINC000012664281 453388211 /nfs/dbraw/zinc/38/82/11/453388211.db2.gz OGEHVGRPFFETIF-WQEIZXBSSA-N 0 3 340.467 3.485 40 0 biogenic EGABHN C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCN1CCCCC1 ZINC000013708767 453482342 /nfs/dbraw/zinc/48/23/42/453482342.db2.gz BIOWZXSANBJTDA-MRXNPFEDSA-N 0 3 326.440 3.209 40 0 EGABHN O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(CC2CCCCC2)C1 ZINC000015674081 453582339 /nfs/dbraw/zinc/58/23/39/453582339.db2.gz RFAKQAGKHUYGPY-SJORKVTESA-N 0 3 327.428 3.425 40 0 biogenic,in-vitro EGABHN COc1cccc(CN2CC[C@@H](c3nc(C(C)(C)C)no3)C2)c1OC ZINC000019084639 453653481 /nfs/dbraw/zinc/65/34/81/453653481.db2.gz KULWHAUJSUQAKA-CQSZACIVSA-N 0 3 345.443 3.374 40 0 EGABHN Cc1ccc(C)c([C@H](O)CN2CCC(Oc3cccnc3)CC2)c1 ZINC000019132016 453654411 /nfs/dbraw/zinc/65/44/11/453654411.db2.gz VTCRADOLORYNGX-HXUWFJFHSA-N 0 3 326.440 3.275 40 0 EGABHN Cc1ccc(NC(=O)NCC2(N3CCN(C)CC3)CCCCC2)cc1 ZINC000028579967 453823956 /nfs/dbraw/zinc/82/39/56/453823956.db2.gz TUZONDXRQIIDKT-UHFFFAOYSA-N 0 3 344.503 3.067 40 0 EGABHN COC[C@@]12CCCO[C@@H]1CCN(Cc1ccc3ccccc3n1)C2 ZINC000096039140 454265339 /nfs/dbraw/zinc/26/53/39/454265339.db2.gz CIKOGMGUTKCFOG-UXHICEINSA-N 0 3 326.440 3.252 40 0 EGABHN O=C(c1cccnc1)N1CCC[C@@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096047038 454270089 /nfs/dbraw/zinc/27/00/89/454270089.db2.gz FOOKPZAUJICEBT-IBGZPJMESA-N 0 3 341.480 3.271 40 0 EGABHN c1csc(CN2CCC3(CCN(Cc4cccnc4)C3)CC2)n1 ZINC000096046621 454270223 /nfs/dbraw/zinc/27/02/23/454270223.db2.gz UVVGJLWFNPJBOF-UHFFFAOYSA-N 0 3 328.485 3.026 40 0 EGABHN c1csc(CN2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)c1 ZINC000096047872 454271099 /nfs/dbraw/zinc/27/10/99/454271099.db2.gz ROAXHENFOWZOQU-QGZVFWFLSA-N 0 3 344.480 3.483 40 0 EGABHN c1csc(CN2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)c1 ZINC000096048233 454271225 /nfs/dbraw/zinc/27/12/25/454271225.db2.gz OWTUZEKXYHYKHL-FUHWJXTLSA-N 0 3 330.453 3.346 40 0 EGABHN CN(Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1ccncc1)CC2 ZINC000096051585 454272646 /nfs/dbraw/zinc/27/26/46/454272646.db2.gz GUFRILJGXZFMLA-SFHVURJKSA-N 0 3 339.439 3.191 40 0 EGABHN Cc1nc(N2CCN(C(C)C)CC2)ccc1[C@@H](O)c1ccccc1 ZINC000072224755 454274835 /nfs/dbraw/zinc/27/48/35/454274835.db2.gz SIGVYHBFDFKBDR-FQEVSTJZSA-N 0 3 325.456 3.002 40 0 EGABHN Cc1nc(CN2CCC3(C2)CCN(Cc2cccn2C)CC3)cs1 ZINC000096062853 454277929 /nfs/dbraw/zinc/27/79/29/454277929.db2.gz YBGDBEINNGSSSP-UHFFFAOYSA-N 0 3 344.528 3.278 40 0 EGABHN Cc1cc(CN2CC[C@H]3[C@@H]2CCC(=O)N3Cc2cccnc2)oc1C ZINC000096186354 454299761 /nfs/dbraw/zinc/29/97/61/454299761.db2.gz GNUMKDAYVGAZDV-OALUTQOASA-N 0 3 339.439 3.057 40 0 EGABHN Cc1ccc(CN2CCc3c(COCCN(C)C)cncc3C2)s1 ZINC000096189338 454299780 /nfs/dbraw/zinc/29/97/80/454299780.db2.gz HQYAXMMXQOEVKE-UHFFFAOYSA-N 0 3 345.512 3.088 40 0 EGABHN Cc1ccc(CN2CCC[C@]3(CCN(Cc4ccccn4)C3)C2)o1 ZINC000096215878 454305140 /nfs/dbraw/zinc/30/51/40/454305140.db2.gz SRPXCCVLRWNTKE-FQEVSTJZSA-N 0 3 325.456 3.471 40 0 EGABHN c1cc(CN2CCC3(CO[C@@H](COCc4ccccn4)C3)CC2)co1 ZINC000096218308 454307197 /nfs/dbraw/zinc/30/71/97/454307197.db2.gz BCLMPLUKIZPTHV-LJQANCHMSA-N 0 3 342.439 3.263 40 0 EGABHN Fc1cccnc1N[C@@H]1CO[C@@]2(CCN(Cc3cccs3)C2)C1 ZINC000096219189 454307303 /nfs/dbraw/zinc/30/73/03/454307303.db2.gz GVKSBLLBBYSCGJ-GUYCJALGSA-N 0 3 333.432 3.128 40 0 EGABHN Cc1nc(CN2C[C@]3(CCN(Cc4cccs4)C3)CC2=O)cs1 ZINC000096239364 454310812 /nfs/dbraw/zinc/31/08/12/454310812.db2.gz GDOLMMFKDZAJLY-QGZVFWFLSA-N 0 3 347.509 3.138 40 0 EGABHN Fc1ccccc1CNC[C@H]1Cn2cc(-c3ccccc3)nc2CO1 ZINC000096269381 454314260 /nfs/dbraw/zinc/31/42/60/454314260.db2.gz QUWVDXFBAXAOFM-KRWDZBQOSA-N 0 3 337.398 3.378 40 0 biogenic,in-vitro EGABHN Brc1ccc(N2CC[C@@H](NCc3ccccn3)C2)cc1 ZINC000096403980 454322083 /nfs/dbraw/zinc/32/20/83/454322083.db2.gz SQPROOJFNXTLNI-OAHLLOKOSA-N 0 3 332.245 3.213 40 0 EGABHN O=C(c1ncoc1[C@H]1CCCO1)N1CCC[C@@H](N2CCCCCC2)C1 ZINC000096406356 454324736 /nfs/dbraw/zinc/32/47/36/454324736.db2.gz YHCZQZCAOAWVOR-HZPDHXFCSA-N 0 3 347.459 3.007 40 0 EGABHN O=C(CCc1cncc(F)c1)Nc1ccccc1CN1CCCC1 ZINC000096492174 454369991 /nfs/dbraw/zinc/36/99/91/454369991.db2.gz SUPRJGMLFIDBTH-UHFFFAOYSA-N 0 3 327.403 3.388 40 0 EGABHN O=S1(=O)CC[C@@H](CNCc2ccc(-c3ccccc3)cc2F)C1 ZINC000096500113 454371942 /nfs/dbraw/zinc/37/19/42/454371942.db2.gz VRSPCTFQBRVPHZ-AWEZNQCLSA-N 0 3 333.428 3.017 40 0 EGABHN COc1ccc([C@H](C)NCc2cn(C)nc2-c2cccnc2)cc1F ZINC000091061678 454374373 /nfs/dbraw/zinc/37/43/73/454374373.db2.gz BHZMGRDREGEZPA-ZDUSSCGKSA-N 0 3 340.402 3.481 40 0 EGABHN Cc1n[nH]cc1[C@H](C)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000097233873 454428582 /nfs/dbraw/zinc/42/85/82/454428582.db2.gz SEQQJUWCRNUFSG-UGSOOPFHSA-N 0 3 348.878 3.096 40 0 EGABHN CN(C)CCOc1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000048356527 454477972 /nfs/dbraw/zinc/47/79/72/454477972.db2.gz FAJIKRDUNNOWLK-UHFFFAOYSA-N 0 3 346.858 3.139 40 0 EGABHN COc1ccc(-c2nnc([C@H]3CCN(Cc4ccccn4)C3)o2)cc1 ZINC000049170138 454537043 /nfs/dbraw/zinc/53/70/43/454537043.db2.gz VWKIROLJDNLKCO-HNNXBMFYSA-N 0 3 336.395 3.130 40 0 biogenic,in-vitro EGABHN c1ccc(-c2nnc([C@H]3CCN(Cc4ccc5c(c4)OCO5)C3)o2)cc1 ZINC000049169346 454537074 /nfs/dbraw/zinc/53/70/74/454537074.db2.gz IZOMNAIHHXXGCR-INIZCTEOSA-N 0 3 349.390 3.455 40 0 biogenic,in-vitro EGABHN Cc1cc(Br)cc(C(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000124415851 454730286 /nfs/dbraw/zinc/73/02/86/454730286.db2.gz PVMMBEDYSWNMQO-OAHLLOKOSA-N 0 3 337.261 3.068 40 0 EGABHN Cc1ccc(CN2CCC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)s1 ZINC000107730870 454771426 /nfs/dbraw/zinc/77/14/26/454771426.db2.gz FUAIWKUUBZCLAW-QAPCUYQASA-N 0 3 344.484 3.082 40 0 EGABHN CN1CCC[C@@H](CNC(=O)NCc2ccco2)[C@H]1c1cccs1 ZINC000110630299 454849728 /nfs/dbraw/zinc/84/97/28/454849728.db2.gz IBICKUORQFEJNB-BBRMVZONSA-N 0 3 333.457 3.223 40 0 EGABHN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NC1CCN(C)CC1 ZINC000113951207 454940173 /nfs/dbraw/zinc/94/01/73/454940173.db2.gz TZKUDYCCVFVUAA-IBGZPJMESA-N 0 3 326.440 3.208 40 0 EGABHN Cn1ccnc1[C@@H](N[C@H]1CCN(c2ccc(F)cc2F)C1)C1CC1 ZINC000127672925 454986756 /nfs/dbraw/zinc/98/67/56/454986756.db2.gz HODWCJCACDMFBW-YOEHRIQHSA-N 0 3 332.398 3.018 40 0 EGABHN Cn1cc(CN2CC[C@@H](CNc3ccccn3)C2)c(-c2ccccc2)n1 ZINC000179987529 455111009 /nfs/dbraw/zinc/11/10/09/455111009.db2.gz LUESZUASKSVRPC-KRWDZBQOSA-N 0 3 347.466 3.416 40 0 EGABHN Cc1ccc([C@@H](CNC(=O)c2cccc(CO)c2)N2CCCC2)cc1 ZINC000252486679 455810883 /nfs/dbraw/zinc/81/08/83/455810883.db2.gz HOLVKOLBIQTUDW-HXUWFJFHSA-N 0 3 338.451 3.054 40 0 EGABHN O[C@H](CN1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1)c1ccccc1 ZINC000253420760 455844320 /nfs/dbraw/zinc/84/43/20/455844320.db2.gz LMNXNOYCKNMGJU-ZIAGYGMSSA-N 0 3 339.361 3.342 40 0 EGABHN Cc1cc(C)n2ncc(CN3CCC[C@H](Cc4ccccn4)C3)c2n1 ZINC000257305096 455886915 /nfs/dbraw/zinc/88/69/15/455886915.db2.gz SOKROGMFSGKATC-QGZVFWFLSA-N 0 3 335.455 3.196 40 0 EGABHN Cn1cncc1-c1cccc([C@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000257307281 455887359 /nfs/dbraw/zinc/88/73/59/455887359.db2.gz SYAMZQOCQBAMOI-INIZCTEOSA-N 0 3 333.439 3.257 40 0 EGABHN Cc1nc(C(=O)N2[C@@H](c3ccccc3)C[C@H]3[C@H]2CCCCN3C)co1 ZINC000257311216 455889431 /nfs/dbraw/zinc/88/94/31/455889431.db2.gz UILDCCSBHFPEJB-QRVBRYPASA-N 0 3 339.439 3.423 40 0 EGABHN Cc1nc([C@H]2CCCN2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000257323441 455891462 /nfs/dbraw/zinc/89/14/62/455891462.db2.gz WKEOCUFIBJIDKZ-MRXNPFEDSA-N 0 3 328.460 3.069 40 0 EGABHN c1csc(-c2n[nH]cc2CN2CCC[C@@H](c3ccncn3)C2)c1 ZINC000257329902 455892717 /nfs/dbraw/zinc/89/27/17/455892717.db2.gz XLYWZJSMGCWQMG-CYBMUJFWSA-N 0 3 325.441 3.308 40 0 EGABHN C/C=C/C=C/C(=O)N[C@@H](C)CCN1CCN(c2cccc(C)c2)CC1 ZINC000032580278 518511556 /nfs/dbraw/zinc/51/15/56/518511556.db2.gz IUGYTOHLQNWEEP-INRCBQSHSA-N 0 3 341.499 3.144 40 0 EGABHN COc1ccc(CN2CCOC[C@H](Cc3cccc(C)n3)C2)cc1 ZINC000072388191 216187682 /nfs/dbraw/zinc/18/76/82/216187682.db2.gz ASYYJQICAANLQD-GOSISDBHSA-N 0 3 326.440 3.090 40 0 EGABHN Fc1ccccc1CCNCc1cc(-c2ccccc2)cn2nnnc12 ZINC000072392391 216191220 /nfs/dbraw/zinc/19/12/20/216191220.db2.gz KZLSHGXNIZQTEF-UHFFFAOYSA-N 0 3 347.397 3.263 40 0 EGABHN CCN(CC)CCN(C)[C@@](O)(C(=O)c1ccccc1)C1CCCC1 ZINC000022588141 212308422 /nfs/dbraw/zinc/30/84/22/212308422.db2.gz FYCWKFSPEUEYGS-FQEVSTJZSA-N 0 3 332.488 3.022 40 0 EGABHN Cc1ccoc1C(=O)NCCCN[C@H]1CCCOc2cc(F)ccc21 ZINC000195557711 241006462 /nfs/dbraw/zinc/00/64/62/241006462.db2.gz TZVRMALHPMXJQD-INIZCTEOSA-N 0 3 346.402 3.351 40 0 EGABHN CN(C)[C@H](CNCC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1 ZINC000022029952 212272866 /nfs/dbraw/zinc/27/28/66/212272866.db2.gz WDOOJNNTIMLENV-HXUWFJFHSA-N 0 3 337.467 3.006 40 0 EGABHN COc1ccc(OC)c(CN2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000019842198 212075618 /nfs/dbraw/zinc/07/56/18/212075618.db2.gz ZWJZTTGEYYUYPC-FGTMMUONSA-N 0 3 342.483 3.034 40 0 EGABHN COc1ccc2nc(C)c(C(=O)N3CCCC[C@@H]3CN(C)C)cc2c1 ZINC000019582573 212046984 /nfs/dbraw/zinc/04/69/84/212046984.db2.gz QMOCCKFOPBZAMZ-MRXNPFEDSA-N 0 3 341.455 3.108 40 0 EGABHN CN1CCN(CC2CC2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019589538 212048412 /nfs/dbraw/zinc/04/84/12/212048412.db2.gz ARBBWOWPBUEPTF-NRFANRHFSA-N 0 3 349.478 3.091 40 0 EGABHN C[C@H](NCc1ccsc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000078553322 217075447 /nfs/dbraw/zinc/07/54/47/217075447.db2.gz CENACLUGCMNJGZ-AWEZNQCLSA-N 0 3 333.476 3.490 40 0 EGABHN Cc1[nH]c2ccc(F)cc2c1CC(=O)N(C)CCN1CCCCC1 ZINC000012360890 211355005 /nfs/dbraw/zinc/35/50/05/211355005.db2.gz VRHCYMMNNILGOZ-UHFFFAOYSA-N 0 3 331.435 3.102 40 0 EGABHN Cc1ccc([C@H](O)CN2CCC(O)(c3ccccc3F)CC2)cc1C ZINC000012292203 211335594 /nfs/dbraw/zinc/33/55/94/211335594.db2.gz RPRXSYBSIDFLGH-HXUWFJFHSA-N 0 3 343.442 3.460 40 0 EGABHN CCCN1C[C@H](NC(=O)[C@@H]2CC=CCC2)[C@@H](c2ccc(OC)cc2)C1 ZINC000012241811 211327911 /nfs/dbraw/zinc/32/79/11/211327911.db2.gz DXNLEZMLMFJLPC-RLLQIKCJSA-N 0 3 342.483 3.346 40 0 EGABHN CC1CCC(N(Cc2ccc(C(=O)N(C)C)[nH]2)C[C@H]2CCCO2)CC1 ZINC000093666321 218240427 /nfs/dbraw/zinc/24/04/27/218240427.db2.gz JPNXGZINKGWZIM-VMWRSERWSA-N 0 3 347.503 3.276 40 0 EGABHN CCn1c(C)cc(O)c([C@H](c2ccncc2)N2CCC(C)CC2)c1=O ZINC000022697485 288676275 /nfs/dbraw/zinc/67/62/75/288676275.db2.gz VANPAXYTRDKDHW-IBGZPJMESA-N 0 3 341.455 3.099 40 0 EGABHN CN(C)C[C@H]1CCCCN1C(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 ZINC000019082427 289209949 /nfs/dbraw/zinc/20/99/49/289209949.db2.gz NDTCEBAFKYOHDQ-HUUCEWRRSA-N 0 3 347.503 3.382 40 0 EGABHN CCC(=O)O[C@@H](CN)[C@@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000003845396 452786125 /nfs/dbraw/zinc/78/61/25/452786125.db2.gz FLMGZJLLDPIYRL-HKUYNNGSSA-N 0 3 325.408 3.324 40 0 EGABHN c1ccc(CN2CC[C@H](N3CCN(Cc4ccccc4)CC3)C2)cc1 ZINC000022462544 453692761 /nfs/dbraw/zinc/69/27/61/453692761.db2.gz VHHKQPAMKPAGAC-QFIPXVFZSA-N 0 3 335.495 3.079 40 0 EGABHN COc1ccc(COC[C@@H](O)CN2CCc3sccc3[C@@H]2C)cc1 ZINC000024829664 453749195 /nfs/dbraw/zinc/74/91/95/453749195.db2.gz JTPCBFNAABBCTR-HOCLYGCPSA-N 0 3 347.480 3.254 40 0 EGABHN COc1ccc(COC[C@H](O)CN2CCc3sccc3[C@@H]2C)cc1 ZINC000024829667 453749215 /nfs/dbraw/zinc/74/92/15/453749215.db2.gz JTPCBFNAABBCTR-GOEBONIOSA-N 0 3 347.480 3.254 40 0 EGABHN COc1ccc(NC(=O)N2CCCSC[C@H]2CN2CCCC2)cc1 ZINC000085473228 454030545 /nfs/dbraw/zinc/03/05/45/454030545.db2.gz KXAZXZWLLMOJAX-MRXNPFEDSA-N 0 3 349.500 3.130 40 0 EGABHN Cc1ncsc1-c1ccc(CN[C@@H]2CCO[C@H]2c2cc[nH]n2)cc1 ZINC000623581914 460624159 /nfs/dbraw/zinc/62/41/59/460624159.db2.gz SJQRIMYIHMLOIB-NVXWUHKLSA-N 0 3 340.452 3.461 40 0 EGABHN COc1cccc(F)c1[C@H](C)NC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000245921147 455399543 /nfs/dbraw/zinc/39/95/43/455399543.db2.gz GZCPEZKKRYGDDM-OFQRWUPVSA-N 0 3 349.450 3.021 40 0 EGABHN Fc1cnc(N2CCC[C@]3(CCN(Cc4ccsc4)C3)C2)nc1 ZINC000096047177 454269184 /nfs/dbraw/zinc/26/91/84/454269184.db2.gz SDZFJYWQEJANQT-QGZVFWFLSA-N 0 3 332.448 3.170 40 0 EGABHN Cc1ccc(CN2CCC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)s1 ZINC000096048349 454270939 /nfs/dbraw/zinc/27/09/39/454270939.db2.gz FUAIWKUUBZCLAW-MAUKXSAKSA-N 0 3 344.484 3.082 40 0 EGABHN Cc1ccc(N[C@@H]2CO[C@@]3(C2)CCCN(Cc2cccs2)C3)nn1 ZINC000096048435 454271296 /nfs/dbraw/zinc/27/12/96/454271296.db2.gz AWXCJRFHAIIYDH-MAUKXSAKSA-N 0 3 344.484 3.082 40 0 EGABHN CN(Cc1ccco1)[C@@H]1CCC12CCN(C(=O)c1ccncc1)CC2 ZINC000096051584 454273049 /nfs/dbraw/zinc/27/30/49/454273049.db2.gz GUFRILJGXZFMLA-GOSISDBHSA-N 0 3 339.439 3.191 40 0 EGABHN Fc1ccc(CN2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096055151 454274358 /nfs/dbraw/zinc/27/43/58/454274358.db2.gz SKEOIBJYTBPYOI-QUCCMNQESA-N 0 3 344.405 3.302 40 0 EGABHN c1cc(CN2CCC3(CO[C@H](COCc4cccnc4)C3)CC2)co1 ZINC000096106136 454283172 /nfs/dbraw/zinc/28/31/72/454283172.db2.gz RCEZOOHMSXWKMB-IBGZPJMESA-N 0 3 342.439 3.263 40 0 EGABHN Cc1ncsc1CN1CCC2(C[C@@H](Oc3ccccn3)CO2)CC1 ZINC000096106995 454284280 /nfs/dbraw/zinc/28/42/80/454284280.db2.gz WIKTXCJCRVNPPR-OAHLLOKOSA-N 0 3 345.468 3.049 40 0 EGABHN Cc1ccc(CN2CCC3(C[C@H](OCC4CCOCC4)CO3)CC2)o1 ZINC000096106684 454284959 /nfs/dbraw/zinc/28/49/59/454284959.db2.gz ODCDSGXQQBKPRD-IBGZPJMESA-N 0 3 349.471 3.155 40 0 EGABHN COc1ccc(C[C@H]2CN(Cc3cccnc3)CC[C@H]2OC)cc1 ZINC000096110236 454285566 /nfs/dbraw/zinc/28/55/66/454285566.db2.gz RYEDQNVICSMVBU-AZUAARDMSA-N 0 3 326.440 3.170 40 0 EGABHN Cc1cc(C)cc(CN2CCC3(CN(c4cccnc4)C3=O)CC2)c1 ZINC000096202950 454302515 /nfs/dbraw/zinc/30/25/15/454302515.db2.gz SWDCUXCFPSWWSD-UHFFFAOYSA-N 0 3 335.451 3.327 40 0 EGABHN c1coc(CN2CCC3(CO[C@@H](COCc4ccncc4)C3)CC2)c1 ZINC000096218311 454306926 /nfs/dbraw/zinc/30/69/26/454306926.db2.gz UTNAONAAEHJJQP-LJQANCHMSA-N 0 3 342.439 3.263 40 0 EGABHN Cc1noc(C)c1CN1CC[C@@]2(CC(=O)N(c3cccc(C)c3)C2)C1 ZINC000096238570 454310626 /nfs/dbraw/zinc/31/06/26/454310626.db2.gz KYCFEHOLECRECM-HXUWFJFHSA-N 0 3 339.439 3.229 40 0 EGABHN c1cc(CN2CCC3(CC2)COCCN(c2cccnc2)C3)cs1 ZINC000096239969 454311479 /nfs/dbraw/zinc/31/14/79/454311479.db2.gz BQRHJLIHNRDJAC-UHFFFAOYSA-N 0 3 343.496 3.262 40 0 EGABHN Cc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2cccc(C)n2)C3)cc1 ZINC000096296310 454317451 /nfs/dbraw/zinc/31/74/51/454317451.db2.gz PYINSGGYEJJWOZ-IBGZPJMESA-N 0 3 348.450 3.251 40 0 biogenic,in-vitro EGABHN COc1ccc2c(c1)OC[C@H](N[C@H](C)c1cccc(NC(C)=O)c1)C2 ZINC000090964709 454355949 /nfs/dbraw/zinc/35/59/49/454355949.db2.gz HXGJAMMDBMOKFQ-FZKQIMNGSA-N 0 3 340.423 3.308 40 0 EGABHN Cc1ccc(O[C@@H](C)C(=O)N[C@H](CN(C)C)c2ccccc2)cc1 ZINC000048325628 454474088 /nfs/dbraw/zinc/47/40/88/454474088.db2.gz SQEVYQSXVMMQGW-QFBILLFUSA-N 0 3 326.440 3.181 40 0 EGABHN CN1CCC(C(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000126885206 454924695 /nfs/dbraw/zinc/92/46/95/454924695.db2.gz ISIOEXDXJYHWAS-UHFFFAOYSA-N 0 3 331.641 3.383 40 0 EGABHN Cc1occc1CN(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179205627 455019636 /nfs/dbraw/zinc/01/96/36/455019636.db2.gz KASYQRUZOWDAJO-ZWKOTPCHSA-N 0 3 327.428 3.175 40 0 EGABHN CN(C)[C@H]1CCN(C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000191736670 455515618 /nfs/dbraw/zinc/51/56/18/455515618.db2.gz YDFXWGSSGACZSS-VIFPVBQESA-N 0 3 346.656 3.270 40 0 EGABHN CCOc1ccc([C@@H]2SC(=N)N[C@@H]2[C@@H](O)c2ccccc2)cc1 ZINC000248382080 455709729 /nfs/dbraw/zinc/70/97/29/455709729.db2.gz VVRSZSPECIFBQS-IKGGRYGDSA-N 0 3 328.437 3.290 40 0 EGABHN CCc1nc(C)cc(N2CCC[C@H](N(C)Cc3ccccn3)CC2)n1 ZINC000252495011 455813107 /nfs/dbraw/zinc/81/31/07/455813107.db2.gz OKPDHPODWOFFTD-SFHVURJKSA-N 0 3 339.487 3.233 40 0 EGABHN COc1ccc(NC(=O)NC[C@@H]2CN(C)C[C@H]2c2cccs2)cc1 ZINC000252516819 455819305 /nfs/dbraw/zinc/81/93/05/455819305.db2.gz XBOVYNUCTICSID-CZUORRHYSA-N 0 3 345.468 3.224 40 0 EGABHN CCCC[C@H](C)C(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000252537410 455820922 /nfs/dbraw/zinc/82/09/22/455820922.db2.gz LBPGTGXYRCEKLJ-DOTOQJQBSA-N 0 3 345.487 3.149 40 0 EGABHN c1cc(CC[C@H]2CCCN2Cc2ccnc(N3CCCC3)n2)ccn1 ZINC000257314364 455888751 /nfs/dbraw/zinc/88/87/51/455888751.db2.gz UWQCBSZTRZLFBI-LJQANCHMSA-N 0 3 337.471 3.069 40 0 EGABHN C[C@H](NC(=O)[C@@H]1NCCCC1(C)C)c1cccc(OC(F)F)c1 ZINC000261627997 455916454 /nfs/dbraw/zinc/91/64/54/455916454.db2.gz CQYGNGLNARSONR-FZMZJTMJSA-N 0 3 326.387 3.243 40 0 EGABHN CC1CCN(CCOc2ccc(NC(=O)C(F)(F)F)cc2)CC1 ZINC000225586669 456094269 /nfs/dbraw/zinc/09/42/69/456094269.db2.gz KUTRJMDCNZAALN-UHFFFAOYSA-N 0 3 330.350 3.298 40 0 EGABHN c1cc2n(n1)[C@H](CN1CCCC1)CN(Cc1ccc3ccccc3n1)C2 ZINC000306142152 456568076 /nfs/dbraw/zinc/56/80/76/456568076.db2.gz WRNGLFDMVPIOGF-HXUWFJFHSA-N 0 3 347.466 3.084 40 0 EGABHN OC[C@@H](Cc1c[nH]c2ccccc12)NCC1=Cc2ccccc2OC1 ZINC000390833892 457445936 /nfs/dbraw/zinc/44/59/36/457445936.db2.gz OOSWAPMAYKNULK-GOSISDBHSA-N 0 3 334.419 3.137 40 0 EGABHN O=C(c1ccc(Cl)s1)N1CCCN(C2CCSCC2)CC1 ZINC000575607710 459980888 /nfs/dbraw/zinc/98/08/88/459980888.db2.gz ORZTXBMMQGVVTE-UHFFFAOYSA-N 0 3 344.933 3.445 40 0 EGABHN CCN1CCN(c2cccc(NC(=O)Nc3ccc(O)cc3)c2)CC1 ZINC000190307988 527709353 /nfs/dbraw/zinc/70/93/53/527709353.db2.gz DUVMKAITHRZBFP-UHFFFAOYSA-N 0 3 340.427 3.178 40 0 EGABHN CN(C)Cc1cccc(-c2cccnc2C(=O)NCc2ccccn2)c1 ZINC000257260394 536022398 /nfs/dbraw/zinc/02/23/98/536022398.db2.gz LCRCTRGQOBTDDX-UHFFFAOYSA-N 0 3 346.434 3.135 40 0 EGABHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1C1CC1 ZINC000584908316 548098885 /nfs/dbraw/zinc/09/88/85/548098885.db2.gz RUOUJZUPTDCKNX-CQSZACIVSA-N 0 3 344.480 3.404 40 0 EGABHN C[C@@H]1CCCCN1CCNC(=O)c1ccc(Br)cc1 ZINC000040107538 213266164 /nfs/dbraw/zinc/26/61/64/213266164.db2.gz UKWFRUVJIVUHII-GFCCVEGCSA-N 0 3 325.250 3.053 40 0 EGABHN Cc1c([C@H](C)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1C(C)C ZINC000191285594 239017208 /nfs/dbraw/zinc/01/72/08/239017208.db2.gz KVEZFVINHICKCP-ZFWWWQNUSA-N 0 3 336.480 3.432 40 0 EGABHN Cc1cnc(CN[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000195558545 241007813 /nfs/dbraw/zinc/00/78/13/241007813.db2.gz SXYFTLWLHQWLEY-ZDUSSCGKSA-N 0 3 325.478 3.331 40 0 EGABHN CCCOC(C)(C)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225726935 242008952 /nfs/dbraw/zinc/00/89/52/242008952.db2.gz NRWVSXFIQAGOSM-UHFFFAOYSA-N 0 3 334.460 3.305 40 0 EGABHN CC(=O)NCc1cccc([C@@H]2CCCN2Cc2sccc2C)n1 ZINC000257235511 244227339 /nfs/dbraw/zinc/22/73/39/244227339.db2.gz GYDYUOCRZIRACF-KRWDZBQOSA-N 0 3 329.469 3.425 40 0 EGABHN c1ncc(CN2CCC[C@@H](Cc3cccc(Nc4ccccn4)n3)C2)[nH]1 ZINC000257247996 244260553 /nfs/dbraw/zinc/26/05/53/244260553.db2.gz JBOSIGAWUTWZCX-INIZCTEOSA-N 0 3 348.454 3.398 40 0 EGABHN CC(C)Nc1[nH]nc2nc([C@H]3CCCCN3Cc3ncc[nH]3)ccc21 ZINC000257270650 244376106 /nfs/dbraw/zinc/37/61/06/244376106.db2.gz MVBSRQYAWXQISL-OAHLLOKOSA-N 0 3 339.447 3.229 40 0 EGABHN CC(C)Nc1[nH]nc2nc([C@@H]3CCCCN3Cc3ncc[nH]3)ccc21 ZINC000257270649 244376477 /nfs/dbraw/zinc/37/64/77/244376477.db2.gz MVBSRQYAWXQISL-HNNXBMFYSA-N 0 3 339.447 3.229 40 0 EGABHN CN(C)Cc1ccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000019657467 212054361 /nfs/dbraw/zinc/05/43/61/212054361.db2.gz VKEGRDUEQDQVLG-UHFFFAOYSA-N 0 3 333.435 3.428 40 0 EGABHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2cccnc2)CC1 ZINC000078553367 217075559 /nfs/dbraw/zinc/07/55/59/217075559.db2.gz YEOKPVFJLSAFMU-MRXNPFEDSA-N 0 3 342.462 3.213 40 0 EGABHN COc1ccc(CN[C@H]2CCN(c3ccccc3)C2)c(OC)c1OC ZINC000078604203 217085628 /nfs/dbraw/zinc/08/56/28/217085628.db2.gz PWPBGLVZDFPWOR-INIZCTEOSA-N 0 3 342.439 3.081 40 0 EGABHN CCO[C@H]1CCCN(C(=O)c2ccc(CN(CC)C3CC3)cc2)C1 ZINC000079336495 217211262 /nfs/dbraw/zinc/21/12/62/217211262.db2.gz BMRRNBUDNBKPHC-IBGZPJMESA-N 0 3 330.472 3.312 40 0 EGABHN CCCO[C@H]1CCCN([C@@H](C)C(=O)NCCc2cccs2)CC1 ZINC000079354175 217214105 /nfs/dbraw/zinc/21/41/05/217214105.db2.gz FBPLIBPHGBXQDU-HOTGVXAUSA-N 0 3 338.517 3.076 40 0 EGABHN CC(C)[C@H](N)C(=O)N(Cc1ccccc1Br)C(C)C ZINC000079421029 217223761 /nfs/dbraw/zinc/22/37/61/217223761.db2.gz FTGBDHKWZYXBQJ-AWEZNQCLSA-N 0 3 327.266 3.169 40 0 EGABHN C[C@@H]1Cc2cc([C@@H](O)CN3CCCC3)ccc2N1C(=O)C(C)(C)C ZINC000012181140 211310424 /nfs/dbraw/zinc/31/04/24/211310424.db2.gz WTNACWRXGAWWKC-KDOFPFPSSA-N 0 3 330.472 3.140 40 0 EGABHN COc1ccc(CN2CCC(Cn3nc(C)cc3C)CC2)cc1OC ZINC000093273609 218210178 /nfs/dbraw/zinc/21/01/78/218210178.db2.gz SGWUXAGTJVMJTR-UHFFFAOYSA-N 0 3 343.471 3.429 40 0 EGABHN CS(=O)(=O)CCCCN1CCC[C@H]1[C@@H]1CCCc2ccccc21 ZINC000095413944 218352034 /nfs/dbraw/zinc/35/20/34/218352034.db2.gz GMYMFWXGMSIVJE-MOPGFXCFSA-N 0 3 335.513 3.396 40 0 EGABHN CC[C@H](C)NC1=C2C=C([C@@H]3COc4ccccc4O3)S[C@H]2N=CN1 ZINC000004867402 210306198 /nfs/dbraw/zinc/30/61/98/210306198.db2.gz PPXWTWAXMMMNJH-ZQUVKOLYSA-N 0 3 343.452 3.228 40 0 EGABHN CCN(CC)CCOC(=O)[C@@H](c1ccccc1)[C@@H](O)[C@H]1CC=CCC1 ZINC000001593601 276099579 /nfs/dbraw/zinc/09/95/79/276099579.db2.gz HRCOKXUTLNEIOQ-UFYCRDLUSA-N 0 3 345.483 3.372 40 0 EGABHN CN1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)[C@@H]2c1ccccc1 ZINC000001688573 289898790 /nfs/dbraw/zinc/89/87/90/289898790.db2.gz LCVKLTSVIZBQFL-IBGZPJMESA-N 0 3 348.446 3.051 40 0 EGABHN Cc1cc(Br)cc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000128188716 323218900 /nfs/dbraw/zinc/21/89/00/323218900.db2.gz IUHKUBUZPWRXPR-IUODEOHRSA-N 0 3 339.277 3.312 40 0 EGABHN CC(=O)O[C@]1(c2ccccc2)CCN(C)C[C@@H]1C(=O)c1ccccc1 ZINC000001681672 452675312 /nfs/dbraw/zinc/67/53/12/452675312.db2.gz NFJIYNMGCOTJRP-CTNGQTDRSA-N 0 3 337.419 3.280 40 0 EGABHN Cc1c([C@H](C)N[C@@H]2C=C[C@H](CO)C2)cnn1-c1cccc(Cl)c1 ZINC000183584793 455308493 /nfs/dbraw/zinc/30/84/93/455308493.db2.gz DJRQCZMFMOOREW-DUVNUKRYSA-N 0 3 331.847 3.422 40 0 EGABHN C[N@@H+]1CCc2cc(Br)c([O-])cc2[C@H](c2ccc(N)cc2)C1 ZINC000013446580 453465234 /nfs/dbraw/zinc/46/52/34/453465234.db2.gz JJKVHQGSRGJOOG-HNNXBMFYSA-N 0 3 347.256 3.357 40 0 EGABHN C[N@H+]1CCc2cc(Br)c([O-])cc2[C@H](c2ccc(N)cc2)C1 ZINC000013446580 453465236 /nfs/dbraw/zinc/46/52/36/453465236.db2.gz JJKVHQGSRGJOOG-HNNXBMFYSA-N 0 3 347.256 3.357 40 0 EGABHN COc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3C3CCCCC3)n2)cc1 ZINC000015674683 453582397 /nfs/dbraw/zinc/58/23/97/453582397.db2.gz SSXNQUZLAXSEPW-WBVHZDCISA-N 0 3 343.427 3.186 40 0 biogenic,in-vitro EGABHN Cn1cc([C@@H](O)CN2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000019290385 453655230 /nfs/dbraw/zinc/65/52/30/453655230.db2.gz IYTQGOGZEJHAGQ-NRFANRHFSA-N 0 3 335.451 3.034 40 0 EGABHN O=C(Nc1nc2ccccc2n1CCN1CCCCC1)c1cccnc1 ZINC000032502455 453876317 /nfs/dbraw/zinc/87/63/17/453876317.db2.gz ZRAIOIPIVGYVOF-UHFFFAOYSA-N 0 3 349.438 3.170 40 0 EGABHN Cc1ccc(C)c([C@H](O)CN2CCC(CC(=O)N(C)C(C)C)CC2)c1 ZINC000075639797 453914129 /nfs/dbraw/zinc/91/41/29/453914129.db2.gz QBHBKPMWXWKWRX-HXUWFJFHSA-N 0 3 346.515 3.306 40 0 EGABHN CO[C@@H](C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)c1ccccc1 ZINC000067267505 453915768 /nfs/dbraw/zinc/91/57/68/453915768.db2.gz UIXSNYXSNQXSTR-RBUKOAKNSA-N 0 3 326.440 3.102 40 0 EGABHN CN(CC1CCN(C)CC1)C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000077611926 454130812 /nfs/dbraw/zinc/13/08/12/454130812.db2.gz SAZINDBTUUMOLD-DLBZAZTESA-N 0 3 335.879 3.179 40 0 EGABHN CCOc1cc([C@H](N)c2n[nH]c(-c3ccccc3C)n2)ccc1OC ZINC000095534430 454230621 /nfs/dbraw/zinc/23/06/21/454230621.db2.gz NVZNFYUFWKCBIS-KRWDZBQOSA-N 0 3 338.411 3.236 40 0 EGABHN Fc1cccnc1N[C@H]1CO[C@@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096047636 454269856 /nfs/dbraw/zinc/26/98/56/454269856.db2.gz OSNRCXSBVAZSAT-PBHICJAKSA-N 0 3 333.432 3.128 40 0 EGABHN Cc1ccc(N[C@H]2CO[C@]3(C2)CCCN(Cc2cccs2)C3)nn1 ZINC000096048436 454271717 /nfs/dbraw/zinc/27/17/17/454271717.db2.gz AWXCJRFHAIIYDH-QAPCUYQASA-N 0 3 344.484 3.082 40 0 EGABHN Fc1cccc(O[C@@H]2C[C@@H]3CN(Cc4cccs4)CCN3C2)c1 ZINC000096055132 454273992 /nfs/dbraw/zinc/27/39/92/454273992.db2.gz DMCBCGNLDSUMOU-NVXWUHKLSA-N 0 3 332.444 3.225 40 0 EGABHN O=C(c1cccs1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096053897 454274966 /nfs/dbraw/zinc/27/49/66/454274966.db2.gz VZOJFFWUIFFCIS-GASCZTMLSA-N 0 3 330.428 3.091 40 0 EGABHN CN(Cc1ccco1)[C@@H]1CN(Cc2cccs2)C[C@@H]2CCCO[C@H]12 ZINC000096057139 454275429 /nfs/dbraw/zinc/27/54/29/454275429.db2.gz VVSWOLXPCYABEM-IPELMVKDSA-N 0 3 346.496 3.453 40 0 EGABHN Cc1ccsc1CN1C[C@@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096065958 454278380 /nfs/dbraw/zinc/27/83/80/454278380.db2.gz YTQDTYSOKXCLBZ-LMMKCTJWSA-N 0 3 344.480 3.400 40 0 EGABHN c1ccc2c(c1)[C@@H](N[C@H]1CCOC1)CC21CCN(c2cccnc2)CC1 ZINC000096079018 454280424 /nfs/dbraw/zinc/28/04/24/454280424.db2.gz GXVCHHMBYMRFIC-UWJYYQICSA-N 0 3 349.478 3.443 40 0 EGABHN FC(F)(F)c1[nH]c2ncccc2c1CN1CCN2CCCC[C@@H]2C1 ZINC000072393710 454294933 /nfs/dbraw/zinc/29/49/33/454294933.db2.gz HSECZTVICRJWBE-GFCCVEGCSA-N 0 3 338.377 3.252 40 0 EGABHN Cc1ncc([C@@H](C)NC[C@H](c2ccccc2)N2CCOCC2)s1 ZINC000090401225 454300640 /nfs/dbraw/zinc/30/06/40/454300640.db2.gz SCDANNFCYZSZIO-RHSMWYFYSA-N 0 3 331.485 3.176 40 0 EGABHN Cc1cccc(CN2CCC3(CC[C@H](C(=O)NC(C)C)C3)CC2)n1 ZINC000096227845 454308803 /nfs/dbraw/zinc/30/88/03/454308803.db2.gz CAAJTGGNEIDVPR-KRWDZBQOSA-N 0 3 329.488 3.297 40 0 EGABHN Cc1ccc(CN2CC[C@@]3(CC(=O)N(c4cccnc4)C3)C2)s1 ZINC000096239104 454310099 /nfs/dbraw/zinc/31/00/99/454310099.db2.gz RKMMRKHODKCLFT-GOSISDBHSA-N 0 3 327.453 3.081 40 0 EGABHN CC(C)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC000096259834 454314683 /nfs/dbraw/zinc/31/46/83/454314683.db2.gz NXYPNWGJDOWSJU-UHFFFAOYSA-N 0 3 326.444 3.034 40 0 EGABHN Fc1ccc(-c2cnc3n2C[C@H](CNCc2cccs2)OC3)cc1 ZINC000096296377 454316763 /nfs/dbraw/zinc/31/67/63/454316763.db2.gz GJAVIODCFNYSKZ-HNNXBMFYSA-N 0 3 343.427 3.439 40 0 biogenic,in-vitro EGABHN Cc1nc(CNc2cccc(CN3CCC(CO)CC3)c2)cs1 ZINC000096461408 454359393 /nfs/dbraw/zinc/35/93/93/454359393.db2.gz HDTKYFYKDSSSSB-UHFFFAOYSA-N 0 3 331.485 3.268 40 0 EGABHN COc1ccc(NC(=O)C[C@H](C)NCc2sc(C)nc2C)cc1 ZINC000096478498 454363561 /nfs/dbraw/zinc/36/35/61/454363561.db2.gz XCTRDPSJNXNVDV-NSHDSACASA-N 0 3 333.457 3.275 40 0 EGABHN Cc1cc(NC(=O)[C@H](C)N[C@@H](C[C@H]2CCOC2)c2ccccc2)on1 ZINC000248714050 455727475 /nfs/dbraw/zinc/72/74/75/455727475.db2.gz DKAOFWMTQNYOIH-UXLLHSPISA-N 0 3 343.427 3.068 40 0 EGABHN Cc1noc(C)c1CN1CC[C@H]2OCCC[C@@]2(COCC2CCC2)C1 ZINC000251975329 455801213 /nfs/dbraw/zinc/80/12/13/455801213.db2.gz DGJMIOUXNXTKSN-UXHICEINSA-N 0 3 348.487 3.479 40 0 EGABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)c3c(C)onc3C(C)C)C2)c1 ZINC000257282169 455881171 /nfs/dbraw/zinc/88/11/71/455881171.db2.gz OSRBEUMUBXYMHN-CQSZACIVSA-N 0 3 342.443 3.481 40 0 EGABHN CN(C)Cc1nccnc1C1CCN(CCc2ccc(F)cc2)CC1 ZINC000257324784 455891989 /nfs/dbraw/zinc/89/19/89/455891989.db2.gz WQDGEQBUGUMLNM-UHFFFAOYSA-N 0 3 342.462 3.099 40 0 EGABHN COc1ccc(CN2CCC3(CC2)OCCC[C@@H]3O)c2ccccc12 ZINC000257332108 455894094 /nfs/dbraw/zinc/89/40/94/455894094.db2.gz XVUQHEHVFZLCFN-FQEVSTJZSA-N 0 3 341.451 3.354 40 0 EGABHN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000261703536 455931675 /nfs/dbraw/zinc/93/16/75/455931675.db2.gz KHJODUOPQTVFKD-DOMZBBRYSA-N 0 3 330.815 3.024 40 0 EGABHN CCC(=O)N1CC[C@H](N[C@@H](CN2CCC(C)CC2)c2cccs2)C1 ZINC000195560742 455984586 /nfs/dbraw/zinc/98/45/86/455984586.db2.gz REECEDYQQWGGIK-IRXDYDNUSA-N 0 3 349.544 3.122 40 0 EGABHN c1cncc(-c2ccc3nc([C@@H]4CCCN(CC5CC5)C4)nn3c2)c1 ZINC000306135952 456567110 /nfs/dbraw/zinc/56/71/10/456567110.db2.gz PFBTYHUAGIAKTM-GOSISDBHSA-N 0 3 333.439 3.381 40 0 EGABHN O=C(c1cccc(F)c1)N1CCC[C@@H](N2CCc3ccccc3C2)C1 ZINC000408609781 457583512 /nfs/dbraw/zinc/58/35/12/457583512.db2.gz ORPMJTGUCZTKRA-HXUWFJFHSA-N 0 3 338.426 3.489 40 0 EGABHN CCN1CCN(Cc2ccc(CNC(=O)C3CCCCC3)cc2)CC1 ZINC000040115263 213268318 /nfs/dbraw/zinc/26/83/18/213268318.db2.gz UBOYOLYZXBJFQE-UHFFFAOYSA-N 0 3 343.515 3.021 40 0 EGABHN Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCN(C(C)C)C3)n2)n1 ZINC000072382390 216182463 /nfs/dbraw/zinc/18/24/63/216182463.db2.gz XXIVXUJICBYFMZ-HNNXBMFYSA-N 0 3 326.448 3.133 40 0 EGABHN CCN1CCC[C@H]1CN(Cc1cccs1)Cc1cnc(C)n1C ZINC000022913602 212332307 /nfs/dbraw/zinc/33/23/07/212332307.db2.gz LMWNYAWYCYVLJM-INIZCTEOSA-N 0 3 332.517 3.277 40 0 EGABHN Cc1ccc(CC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)cn1 ZINC000225791080 242038624 /nfs/dbraw/zinc/03/86/24/242038624.db2.gz BFCWYKOLRLIJTG-QGZVFWFLSA-N 0 3 331.847 3.005 40 0 EGABHN Cc1cccnc1NC(=S)NCCCN1CCc2ccccc2C1 ZINC000225744247 242015459 /nfs/dbraw/zinc/01/54/59/242015459.db2.gz LTVVLYXHBBENTJ-UHFFFAOYSA-N 0 3 340.496 3.125 40 0 EGABHN COc1cccc(COC[C@H](O)CN2CCc3sccc3[C@H]2C)c1 ZINC000245237838 243099791 /nfs/dbraw/zinc/09/97/91/243099791.db2.gz YYZCKVOFEQSCLK-GDBMZVCRSA-N 0 3 347.480 3.254 40 0 EGABHN CCOc1ccc(CN2CCCC[C@@H]2c2[nH]ncc2C)cc1CO ZINC000257217489 244170399 /nfs/dbraw/zinc/17/03/99/244170399.db2.gz CZEGZQYWEJYOQC-QGZVFWFLSA-N 0 3 329.444 3.336 40 0 EGABHN CNc1cc(C)nc([C@H]2CCN(C(=O)c3sc(C)nc3C)C2)c1 ZINC000257223988 244193642 /nfs/dbraw/zinc/19/36/42/244193642.db2.gz DZUFCXZIQHZVFL-ZDUSSCGKSA-N 0 3 330.457 3.135 40 0 EGABHN Cc1noc(C)c1-c1ccnc(C2CCN(Cc3cnc[nH]3)CC2)c1 ZINC000257246803 244258146 /nfs/dbraw/zinc/25/81/46/244258146.db2.gz IVWWKRKZNLTAGY-UHFFFAOYSA-N 0 3 337.427 3.456 40 0 EGABHN c1ncc(CN2CCC[C@H](Cc3cccc(Nc4ccccn4)n3)C2)[nH]1 ZINC000257247997 244261234 /nfs/dbraw/zinc/26/12/34/244261234.db2.gz JBOSIGAWUTWZCX-MRXNPFEDSA-N 0 3 348.454 3.398 40 0 EGABHN c1ncc(CN2CCC[C@@H](c3ccnc(Nc4ccccn4)c3)C2)[nH]1 ZINC000257265440 244360812 /nfs/dbraw/zinc/36/08/12/244360812.db2.gz LYQWMSIWFKVYPQ-MRXNPFEDSA-N 0 3 334.427 3.323 40 0 EGABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)c3cccc(OC)c3)C2)c1 ZINC000257272817 244382553 /nfs/dbraw/zinc/38/25/53/244382553.db2.gz NDZDVDHYEOZHDD-OAHLLOKOSA-N 0 3 325.412 3.070 40 0 EGABHN COc1ccc(CNCCc2cc(F)cc3c2OCOC3)c(OC)c1 ZINC000078552814 217074274 /nfs/dbraw/zinc/07/42/74/217074274.db2.gz WWHOVLYPTTYEHA-UHFFFAOYSA-N 0 3 347.386 3.042 40 0 EGABHN CCc1ccc(CC)c(NC(=O)NCCN2CCC(OC)CC2)c1 ZINC000079817413 217256478 /nfs/dbraw/zinc/25/64/78/217256478.db2.gz RZDMYXQZIJIOAO-UHFFFAOYSA-N 0 3 333.476 3.044 40 0 EGABHN C[C@H](C(=O)NC[C@@H]1CCCN(C)C1)c1ccc(Br)s1 ZINC000080127374 217281020 /nfs/dbraw/zinc/28/10/20/217281020.db2.gz SFSLXEHEVAEUIE-QWRGUYRKSA-N 0 3 345.306 3.072 40 0 EGABHN O[C@]1(c2cccnc2)CCC[C@H]2CN(Cc3cc(F)ccc3F)C[C@@H]21 ZINC000012337145 211351132 /nfs/dbraw/zinc/35/11/32/211351132.db2.gz YHQYVBJFVDONSK-DCPHZVHLSA-N 0 3 344.405 3.480 40 0 EGABHN CC[C@H](CN1CCCCC1)NC(=O)C1(c2ccccc2)CCOCC1 ZINC000012239819 211328727 /nfs/dbraw/zinc/32/87/27/211328727.db2.gz KLMPZFQNKCLOKB-LJQANCHMSA-N 0 3 344.499 3.116 40 0 EGABHN C[C@H](c1ccccc1)N1CCC(NC(=O)CN2CCC(C)CC2)CC1 ZINC000012113264 211292463 /nfs/dbraw/zinc/29/24/63/211292463.db2.gz SBPHWEOJGVEEMD-GOSISDBHSA-N 0 3 343.515 3.060 40 0 EGABHN Cc1ccc(CN2CCC3(CC[C@H]3NC(=O)c3ccn(C)c3)CC2)o1 ZINC000096051695 218543414 /nfs/dbraw/zinc/54/34/14/218543414.db2.gz IAFAKOHBYKWHJL-GOSISDBHSA-N 0 3 341.455 3.101 40 0 EGABHN O=S1(=O)N(CC2CC2)c2ccccc2C12CCN(C1CCC1)CC2 ZINC000306132942 257920870 /nfs/dbraw/zinc/92/08/70/257920870.db2.gz LXFKWVKTLUXFSE-UHFFFAOYSA-N 0 3 346.496 3.090 40 0 EGABHN CN1CCC(N(Cc2ccccc2)C(=O)COc2ccsc2)CC1 ZINC000330031931 258002973 /nfs/dbraw/zinc/00/29/73/258002973.db2.gz GFUHWZFHZPKTDX-UHFFFAOYSA-N 0 3 344.480 3.250 40 0 EGABHN Cc1ccc(CN(CCN(C)C)Cc2c(C)nc3sccn23)o1 ZINC000019216487 292098448 /nfs/dbraw/zinc/09/84/48/292098448.db2.gz PKNMFMVAMPIFCR-UHFFFAOYSA-N 0 3 332.473 3.169 40 0 EGABHN Cn1cc(CN2CCC3(CN(CC4CC4)c4ccccc43)CC2)cn1 ZINC000096078791 274891441 /nfs/dbraw/zinc/89/14/41/274891441.db2.gz VXXQGLGAMZWAFN-UHFFFAOYSA-N 0 3 336.483 3.184 40 0 EGABHN OCCO[C@@H]1CC2(CCN(Cc3ccncc3)CC2)c2ccccc21 ZINC000096241574 275047617 /nfs/dbraw/zinc/04/76/17/275047617.db2.gz XYKBTGBEYVBJBD-HXUWFJFHSA-N 0 3 338.451 3.069 40 0 EGABHN c1cc(CN2CCC3(CCOC[C@H]3COc3cccnc3)CC2)co1 ZINC000096216328 275064012 /nfs/dbraw/zinc/06/40/12/275064012.db2.gz HERXTPPAFNNREE-SFHVURJKSA-N 0 3 342.439 3.372 40 0 EGABHN CC(C)C(=O)N1CCCc2cc([C@H](O)CN3CCCCC3)ccc21 ZINC000012291367 277331486 /nfs/dbraw/zinc/33/14/86/277331486.db2.gz HSAQCBZCUBYDCS-LJQANCHMSA-N 0 3 330.472 3.141 40 0 EGABHN O=C(Nc1ccccc1OCC1CC1)N1CCC(N2CC=CC2)CC1 ZINC000156049228 323222109 /nfs/dbraw/zinc/22/21/09/323222109.db2.gz KOJONBLZTTXWBN-UHFFFAOYSA-N 0 3 341.455 3.344 40 0 EGABHN Nc1c(=O)oc2ccccc2c1NC1CCN(Cc2ccccc2)CC1 ZINC000000176878 452527139 /nfs/dbraw/zinc/52/71/39/452527139.db2.gz AOKNJWHNXIKTFY-UHFFFAOYSA-N 0 3 349.434 3.452 40 0 EGABHN O=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1CCN1CCCC1 ZINC000001607474 452669653 /nfs/dbraw/zinc/66/96/53/452669653.db2.gz VVYBDABOVROYDV-UHFFFAOYSA-N 0 3 346.430 3.062 40 0 EGABHN CC(C)(C)NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000007988182 453146902 /nfs/dbraw/zinc/14/69/02/453146902.db2.gz VOTXLOIBTJXSJW-UHFFFAOYSA-N 0 3 325.412 3.266 40 0 EGABHN COc1ccc(CN(Cc2ccccc2)C[C@@H]2CCCO2)cc1CO ZINC000012186921 453347783 /nfs/dbraw/zinc/34/77/83/453347783.db2.gz VTCBHWXSVKPTLJ-FQEVSTJZSA-N 0 3 341.451 3.369 40 0 EGABHN O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)N(C2CCCCC2)C1 ZINC000015674910 453581976 /nfs/dbraw/zinc/58/19/76/453581976.db2.gz MWYSCTIORWCNBL-CVEARBPZSA-N 0 3 331.391 3.316 40 0 biogenic,in-vitro EGABHN Cc1cccc(CN2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)n1 ZINC000019712593 453659035 /nfs/dbraw/zinc/65/90/35/453659035.db2.gz URNANDJJANKHNZ-VWPQPMDRSA-N 0 3 349.478 3.417 40 0 EGABHN CC[C@@H](CNC(=O)c1cccc(OC)c1)N1CCc2ccccc2C1 ZINC000029909219 453832590 /nfs/dbraw/zinc/83/25/90/453832590.db2.gz HMRSOEDWUHJEBK-IBGZPJMESA-N 0 3 338.451 3.262 40 0 EGABHN C[C@@H]1CN(C)CCN1CC1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000085468199 454030009 /nfs/dbraw/zinc/03/00/09/454030009.db2.gz YSHFTKXIEHZZJP-GOSISDBHSA-N 0 3 349.563 3.221 40 0 EGABHN O=C(NCC1CCN(c2ccncc2)CC1)c1c(F)cccc1F ZINC000070928435 454186332 /nfs/dbraw/zinc/18/63/32/454186332.db2.gz ZLJZETONMWQIPF-UHFFFAOYSA-N 0 3 331.366 3.006 40 0 EGABHN Cc1ccc(CN2CC[C@H]3OCC[C@@H](c4nnc(C)o4)[C@H]3C2)s1 ZINC000096043517 454267832 /nfs/dbraw/zinc/26/78/32/454267832.db2.gz AWBOMUKHNDCGEB-BZUAXINKSA-N 0 3 333.457 3.143 40 0 EGABHN COc1ccc(N[C@@H]2CO[C@@]3(CCN(Cc4ccco4)C3)C2)cc1 ZINC000096047601 454269475 /nfs/dbraw/zinc/26/94/75/454269475.db2.gz PLQCHCGIHJJJDF-LPHOPBHVSA-N 0 3 328.412 3.134 40 0 EGABHN O=C(c1cccnc1)N1CCC2(CCN(Cc3ccsc3)C2)CC1 ZINC000096046663 454269774 /nfs/dbraw/zinc/26/97/74/454269774.db2.gz LVCKURVREZOXCH-UHFFFAOYSA-N 0 3 341.480 3.271 40 0 EGABHN O=C(c1cccs1)N1CCC2(C1)CCN(Cc1cccnc1)CC2 ZINC000096046559 454270099 /nfs/dbraw/zinc/27/00/99/454270099.db2.gz PFRHLRSNIVQRQV-UHFFFAOYSA-N 0 3 341.480 3.271 40 0 EGABHN O=C(c1cccs1)N1CCC2(C1)CCN(Cc1ccoc1)CC2 ZINC000096046555 454270197 /nfs/dbraw/zinc/27/01/97/454270197.db2.gz FDBHDLAOPYOMBU-UHFFFAOYSA-N 0 3 330.453 3.469 40 0 EGABHN Cn1cc([C@H]2COC3(C2)CCN(Cc2ccc(F)cc2)CC3)cn1 ZINC000096047798 454271632 /nfs/dbraw/zinc/27/16/32/454271632.db2.gz PHDRPUPDDQNVJR-MRXNPFEDSA-N 0 3 329.419 3.098 40 0 EGABHN CNC(=O)C[C@@H]1CC2(CCN(Cc3ccco3)CC2)c2ccccc21 ZINC000096052561 454272598 /nfs/dbraw/zinc/27/25/98/454272598.db2.gz BOBNQSVSNVAHQV-MRXNPFEDSA-N 0 3 338.451 3.437 40 0 EGABHN CCN(CC)Cc1cncc2c1CCN(C(=O)Cc1cccs1)C2 ZINC000096067401 454278354 /nfs/dbraw/zinc/27/83/54/454278354.db2.gz VKHLVNTYBMMKLS-UHFFFAOYSA-N 0 3 343.496 3.112 40 0 EGABHN Fc1ccc2c(c1)nc1n2[C@@H](CNCc2ccc(F)c(F)c2)COC1 ZINC000096112724 454287699 /nfs/dbraw/zinc/28/76/99/454287699.db2.gz LWGVYKOJIGNSOY-ZDUSSCGKSA-N 0 3 347.340 3.315 40 0 biogenic,in-vitro EGABHN c1csc(CN2CC[C@@H]3O[C@H](COCc4cccnc4)CC[C@@H]32)c1 ZINC000096186125 454299042 /nfs/dbraw/zinc/29/90/42/454299042.db2.gz GDSUOLZXADNFFL-WDSOQIARSA-N 0 3 344.480 3.482 40 0 EGABHN Cc1cccc(CN2CCC3(CN(c4cccc(F)c4)C3=O)CC2)n1 ZINC000096202992 454302841 /nfs/dbraw/zinc/30/28/41/454302841.db2.gz CFUJOYGAVCWXIN-UHFFFAOYSA-N 0 3 339.414 3.158 40 0 EGABHN Cc1ccc(CN2C[C@@H]3COC[C@]3(Cc3nnc(C4CC4)o3)C2)s1 ZINC000096207723 454304332 /nfs/dbraw/zinc/30/43/32/454304332.db2.gz CJQWFPVXXVGBAI-KDOFPFPSSA-N 0 3 345.468 3.008 40 0 EGABHN Cc1noc(C)c1CN1CCC[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000096215979 454305412 /nfs/dbraw/zinc/30/54/12/454305412.db2.gz NLQWLXFOUMHJBC-IBGZPJMESA-N 0 3 329.444 3.373 40 0 EGABHN Cc1cccc(CN2CCC[C@@]3(CCN(Cc4ccncc4)C3)C2)n1 ZINC000096216146 454306047 /nfs/dbraw/zinc/30/60/47/454306047.db2.gz PDWXTBQEVLEPIE-OAQYLSRUSA-N 0 3 336.483 3.273 40 0 EGABHN C[C@@H](C(=O)NCCCc1nc2c(s1)CCCC2)N1CCCCCC1 ZINC000078725607 454306682 /nfs/dbraw/zinc/30/66/82/454306682.db2.gz DTXVAXANERFMJU-HNNXBMFYSA-N 0 3 349.544 3.335 40 0 EGABHN c1coc(CN2CCC3(CO[C@H](COCc4ccncc4)C3)CC2)c1 ZINC000096218313 454307315 /nfs/dbraw/zinc/30/73/15/454307315.db2.gz UTNAONAAEHJJQP-IBGZPJMESA-N 0 3 342.439 3.263 40 0 EGABHN O=C(CC1CC1)N1CC[C@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216463 454307493 /nfs/dbraw/zinc/30/74/93/454307493.db2.gz JBDFTOBZAFVNLU-OAQYLSRUSA-N 0 3 342.483 3.180 40 0 EGABHN CC(C)NC(=O)N1CC[C@@H](F)[C@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096241268 454312043 /nfs/dbraw/zinc/31/20/43/454312043.db2.gz FEEGXCIVAJOQOH-WBVHZDCISA-N 0 3 339.480 3.102 40 0 EGABHN Fc1ccc(CNC[C@H]2Cn3c(-c4ccccc4)cnc3CO2)cc1 ZINC000096296452 454317527 /nfs/dbraw/zinc/31/75/27/454317527.db2.gz LZMJYPCRNQKTTL-SFHVURJKSA-N 0 3 337.398 3.378 40 0 biogenic,in-vitro EGABHN Cc1cc(N2CCC(CC(N)=O)CC2)c2cc(OC(F)F)ccc2n1 ZINC000096419412 454335815 /nfs/dbraw/zinc/33/58/15/454335815.db2.gz APPIJEDFVFCSIJ-UHFFFAOYSA-N 0 3 349.381 3.236 40 0 EGABHN Cc1ncsc1CNc1ccccc1CN1CCC(CO)CC1 ZINC000096461407 454359565 /nfs/dbraw/zinc/35/95/65/454359565.db2.gz JYRYLNWLZMUEKX-UHFFFAOYSA-N 0 3 331.485 3.268 40 0 EGABHN COc1cc(OC)cc(N2CCC(N[C@@H](C)c3ccccn3)CC2)c1 ZINC000096487617 454367338 /nfs/dbraw/zinc/36/73/38/454367338.db2.gz HMOVSRNFVOKKKW-HNNXBMFYSA-N 0 3 341.455 3.418 40 0 EGABHN CCN1CCCN(C(=O)Nc2cccc(Cl)c2COC)CC1 ZINC000091180741 454401431 /nfs/dbraw/zinc/40/14/31/454401431.db2.gz PYJPMGQBVJLHTI-UHFFFAOYSA-N 0 3 325.840 3.046 40 0 EGABHN COc1ccc(N[C@H]2CO[C@]3(CCN(Cc4ccc(C)o4)C3)C2)cc1 ZINC000107728464 454770877 /nfs/dbraw/zinc/77/08/77/454770877.db2.gz RYDSDZICONIUEZ-YLJYHZDGSA-N 0 3 342.439 3.442 40 0 EGABHN CCOC(=O)[C@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccccc1 ZINC000248341778 455705991 /nfs/dbraw/zinc/70/59/91/455705991.db2.gz ZTZWBICGABZDQN-MOPGFXCFSA-N 0 3 337.419 3.181 40 0 EGABHN FC(F)(F)c1ccn([C@@H]2CCCN(CCO[C@H]3CCCCO3)C2)n1 ZINC000248751856 455729719 /nfs/dbraw/zinc/72/97/19/455729719.db2.gz HCGTXHGQAXPDMT-HIFRSBDPSA-N 0 3 347.381 3.082 40 0 EGABHN CCn1cncc1CN1C[C@@H]2CCC[C@@](O)(c3ccc(F)cc3)[C@H]2C1 ZINC000249701601 455768261 /nfs/dbraw/zinc/76/82/61/455768261.db2.gz YQYYLUYPHMUQTK-RYGJVYDSSA-N 0 3 343.446 3.162 40 0 EGABHN C[C@H]1CCCCN1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000252478578 455806889 /nfs/dbraw/zinc/80/68/89/455806889.db2.gz APVCAUWQWWYFMX-INIZCTEOSA-N 0 3 345.487 3.244 40 0 EGABHN Cc1cnccc1CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000252508748 455817062 /nfs/dbraw/zinc/81/70/62/455817062.db2.gz XSKJUUMFJHBMBK-KRWDZBQOSA-N 0 3 346.862 3.146 40 0 EGABHN C[C@H](C[S@](C)=O)N(C)C1CC(c2ccc(Br)cc2)C1 ZINC000194482718 455848661 /nfs/dbraw/zinc/84/86/61/455848661.db2.gz CJCPVIKUBMXCIW-PBGHYWOFSA-N 0 3 344.318 3.394 40 0 EGABHN Cn1cc(CN2CCC3(CO[C@@H](Cc4ccc(F)cc4)C3)CC2)cn1 ZINC000257301227 455887085 /nfs/dbraw/zinc/88/70/85/455887085.db2.gz RXNQHRFKVDRUTM-IBGZPJMESA-N 0 3 343.446 3.173 40 0 EGABHN CO[C@@H]1CCCOC12CCN(Cc1ccc3ncccc3c1)CC2 ZINC000257308677 455887954 /nfs/dbraw/zinc/88/79/54/455887954.db2.gz TXRIYJJYJNUNBQ-LJQANCHMSA-N 0 3 326.440 3.395 40 0 EGABHN Cc1cccc(CN2CCC[C@H](Cc3cnc(-c4ncc[nH]4)cn3)C2)n1 ZINC000257311697 455888733 /nfs/dbraw/zinc/88/87/33/455888733.db2.gz UKQRHTJNYNXITD-MRXNPFEDSA-N 0 3 348.454 3.025 40 0 EGABHN Cc1noc(C)c1-c1cccc(C[C@H]2CCN(Cc3cnccn3)C2)n1 ZINC000257315821 455890578 /nfs/dbraw/zinc/89/05/78/455890578.db2.gz VCXFDIXJURHUBE-MRXNPFEDSA-N 0 3 349.438 3.208 40 0 EGABHN CC(=O)NCc1ccc([C@@H]2CCCN2Cc2ccc(C)s2)nc1 ZINC000257316758 455891018 /nfs/dbraw/zinc/89/10/18/455891018.db2.gz VGVXCYPTJQPRPU-SFHVURJKSA-N 0 3 329.469 3.425 40 0 EGABHN CN(C)Cc1cccc(-c2cccnc2C(=O)NCc2ccncc2)c1 ZINC000257333824 455894401 /nfs/dbraw/zinc/89/44/01/455894401.db2.gz YDFIBXDJHBFGRH-UHFFFAOYSA-N 0 3 346.434 3.135 40 0 EGABHN Cc1ncsc1CN(C)C[C@H]1CCN(c2noc(C(C)(C)C)n2)C1 ZINC000225604080 456097689 /nfs/dbraw/zinc/09/76/89/456097689.db2.gz RBFSUYAIJKNJNW-CYBMUJFWSA-N 0 3 349.504 3.090 40 0 EGABHN COCC[C@H]1Cn2cccc2CN(CCOCc2ccccc2)C1 ZINC000585095280 459822422 /nfs/dbraw/zinc/82/24/22/459822422.db2.gz NEHAJNZZFINCEP-LJQANCHMSA-N 0 3 328.456 3.173 40 0 EGABHN c1cncc(CN2CCC3(CC2)OCC[C@@H]3CCOCC2CC2)c1 ZINC000585103900 459824243 /nfs/dbraw/zinc/82/42/43/459824243.db2.gz DPAZPOBSFLLKIB-IBGZPJMESA-N 0 3 330.472 3.269 40 0 EGABHN Cc1ccc(C)c2[nH]c(=O)c(CN[C@@H](CO)Cc3ccccc3)cc12 ZINC000585291640 459833317 /nfs/dbraw/zinc/83/33/17/459833317.db2.gz AVMPPUDTZFPUKH-GOSISDBHSA-N 0 3 336.435 3.250 40 0 EGABHN CC1CCN(CCNC(=O)c2cc(F)cc(Br)c2)CC1 ZINC000040108074 213267683 /nfs/dbraw/zinc/26/76/83/213267683.db2.gz MGAWVUDYNHCIPL-UHFFFAOYSA-N 0 3 343.240 3.050 40 0 EGABHN O=C(NCc1cccnc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038849961 213228859 /nfs/dbraw/zinc/22/88/59/213228859.db2.gz ZZCFEGLTZUPWMI-QGZVFWFLSA-N 0 3 343.858 3.263 40 0 EGABHN Fc1ccc2[nH]c([C@H]3CCN(Cc4ccc5c(c4)OCO5)C3)nc2c1 ZINC000035446606 213028084 /nfs/dbraw/zinc/02/80/84/213028084.db2.gz GTBXBMOUSKGGFW-ZDUSSCGKSA-N 0 3 339.370 3.420 40 0 biogenic,in-vitro EGABHN c1cc(CN2CCCCC2)cc(-c2noc(CC3OCCCO3)n2)c1 ZINC000193181666 240051741 /nfs/dbraw/zinc/05/17/41/240051741.db2.gz DLTNLFHVEUIFJM-UHFFFAOYSA-N 0 3 343.427 3.028 40 0 EGABHN COc1cccc(CN(C)CCC(=O)Nc2ccccc2OC)c1 ZINC000022198374 212281522 /nfs/dbraw/zinc/28/15/22/212281522.db2.gz XUWAJKJWGSGTDN-UHFFFAOYSA-N 0 3 328.412 3.164 40 0 EGABHN Cc1ncccc1CN1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000195562157 241012216 /nfs/dbraw/zinc/01/22/16/241012216.db2.gz GRQXVFIOODIXBH-GVDBMIGSSA-N 0 3 331.460 3.125 40 0 EGABHN O=C(NCc1ccccc1)NC[C@H](c1cccs1)N1CCCC1 ZINC000025065151 284007502 /nfs/dbraw/zinc/00/75/02/284007502.db2.gz GNKFACHENFYISS-MRXNPFEDSA-N 0 3 329.469 3.384 40 0 EGABHN c1ccc(C[N@@H+]2CCC[C@H](c3ccnc([N-]c4cnccn4)n3)C2)cc1 ZINC000257209712 244146649 /nfs/dbraw/zinc/14/66/49/244146649.db2.gz BRPGTPNCEMQONR-KRWDZBQOSA-N 0 3 346.438 3.390 40 0 EGABHN c1ccc(C[N@H+]2CCC[C@H](c3ccnc([N-]c4cnccn4)n3)C2)cc1 ZINC000257209712 244146652 /nfs/dbraw/zinc/14/66/52/244146652.db2.gz BRPGTPNCEMQONR-KRWDZBQOSA-N 0 3 346.438 3.390 40 0 EGABHN CN(CCc1ccccn1)Cc1c2cccnc2[nH]c1[C@@H]1CCCO1 ZINC000019586254 212048872 /nfs/dbraw/zinc/04/88/72/212048872.db2.gz SJMGRIDCMXNAMA-SFHVURJKSA-N 0 3 336.439 3.484 40 0 EGABHN C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(-c2ccccc2Cl)o1 ZINC000019575272 212044907 /nfs/dbraw/zinc/04/49/07/212044907.db2.gz XNIGATOWDBZRCB-RBSFLKMASA-N 0 3 346.858 3.239 40 0 EGABHN Cc1c(CN(C)CCN2CCCCC2)cnn1Cc1ccccc1 ZINC000019554483 212041128 /nfs/dbraw/zinc/04/11/28/212041128.db2.gz GJALOERQRJQJTQ-UHFFFAOYSA-N 0 3 326.488 3.158 40 0 EGABHN CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(CC(C)(C)C)C[C@@H]12 ZINC000019528280 212039914 /nfs/dbraw/zinc/03/99/14/212039914.db2.gz GBCKXGHCOZSKOZ-UZLBHIALSA-N 0 3 328.456 3.082 40 0 EGABHN Fc1ccccc1CN1C[C@H]2CCc3nnc(-c4cccnc4)n3[C@H]2C1 ZINC000019349477 212019926 /nfs/dbraw/zinc/01/99/26/212019926.db2.gz JQXHBNFCFXIBTH-AEFFLSMTSA-N 0 3 349.413 3.099 40 0 EGABHN CC(=O)N1CC[C@@H](CN(C)Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000092101837 218119488 /nfs/dbraw/zinc/11/94/88/218119488.db2.gz RPAWJIGAGCQHJT-ZDUSSCGKSA-N 0 3 346.805 3.242 40 0 EGABHN COc1ccc(CNC[C@H]2Cn3cc(-c4ccccc4)nc3CO2)cc1 ZINC000096112884 218609588 /nfs/dbraw/zinc/60/95/88/218609588.db2.gz ZOSDWAMABVPWMN-IBGZPJMESA-N 0 3 349.434 3.247 40 0 biogenic,in-vitro EGABHN CO[C@@H]1CC2(CCN(Cc3cnn(C)c3)CC2)c2ccc(C)cc21 ZINC000096079423 274062367 /nfs/dbraw/zinc/06/23/67/274062367.db2.gz UKWZIAZPPGWCDA-LJQANCHMSA-N 0 3 325.456 3.354 40 0 EGABHN CN(C)C[C@H]1CCCCN1C(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 ZINC000019082431 289209845 /nfs/dbraw/zinc/20/98/45/289209845.db2.gz NDTCEBAFKYOHDQ-LSDHHAIUSA-N 0 3 347.503 3.382 40 0 EGABHN N[C@H]1C[C@@]2(CCC(=O)N(Cc3ccccc3)CC2)Oc2ccccc21 ZINC000072327733 295342913 /nfs/dbraw/zinc/34/29/13/295342913.db2.gz CMEIMTLPZKIBHJ-RXVVDRJESA-N 0 3 336.435 3.420 40 0 EGABHN CS[C@@H]1CC[C@H](N(C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000195531805 455980726 /nfs/dbraw/zinc/98/07/26/455980726.db2.gz PQZVUHZHPRKMHH-FRRDWIJNSA-N 0 3 338.439 3.003 40 0 EGABHN O=C(OCCN1CCCCC1)[C@@H](c1ccccc1)C1(O)CCCC1 ZINC000001852112 452679251 /nfs/dbraw/zinc/67/92/51/452679251.db2.gz RZYRCRNNLDPHAI-GOSISDBHSA-N 0 3 331.456 3.104 40 0 EGABHN CCCc1ccc(S(=O)(=O)NCCCN2CCCCCC2)cc1 ZINC000012936988 453428920 /nfs/dbraw/zinc/42/89/20/453428920.db2.gz GOVFWGHKIQDPBV-UHFFFAOYSA-N 0 3 338.517 3.184 40 0 EGABHN CCN1CCC(NC(=O)c2ccc(C3SCCS3)cc2)CC1 ZINC000014134932 453509326 /nfs/dbraw/zinc/50/93/26/453509326.db2.gz NBPDDRLCZBRVSZ-UHFFFAOYSA-N 0 3 336.526 3.379 40 0 EGABHN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C1CCCCC1 ZINC000015256846 453563866 /nfs/dbraw/zinc/56/38/66/453563866.db2.gz JZKMUDOUBSGEQA-AWEZNQCLSA-N 0 3 329.444 3.015 40 0 EGABHN CN(C)CCN(Cc1c[nH]nc1-c1cccs1)Cc1cccnc1 ZINC000019582645 453657735 /nfs/dbraw/zinc/65/77/35/453657735.db2.gz ITSUUKLNQTWOIQ-UHFFFAOYSA-N 0 3 341.484 3.097 40 0 EGABHN CC(C)C[C@H](c1nnnn1C(C)C)N1CCN(C2CCCCC2)CC1 ZINC000020140385 453662060 /nfs/dbraw/zinc/66/20/60/453662060.db2.gz LEDMJHXQPUROMK-GOSISDBHSA-N 0 3 348.539 3.292 40 0 EGABHN O=C(Cc1ccccc1Cl)NCCCN1CCc2ccccc2C1 ZINC000029837822 453831894 /nfs/dbraw/zinc/83/18/94/453831894.db2.gz ZMRBYQFMMBDCHM-UHFFFAOYSA-N 0 3 342.870 3.447 40 0 EGABHN Cc1csc(CNC(=O)c2ccc(CN3CCCCC3)cc2)n1 ZINC000032882247 453894905 /nfs/dbraw/zinc/89/49/05/453894905.db2.gz ZHRTVVWCRYBNDV-UHFFFAOYSA-N 0 3 329.469 3.367 40 0 EGABHN COc1ccccc1/C=C/C(=O)NCCCN(C)Cc1ccccc1 ZINC000032902650 453895838 /nfs/dbraw/zinc/89/58/38/453895838.db2.gz YBGIARAHTFCMJO-BUHFOSPRSA-N 0 3 338.451 3.347 40 0 EGABHN CCOc1ccc(N2C(=O)C[C@H](N[C@@H]3CCC[C@H](C)[C@@H]3C)C2=O)cc1 ZINC000033932254 453918516 /nfs/dbraw/zinc/91/85/16/453918516.db2.gz UYNYFZVAQXLIGE-ZZCKCESHSA-N 0 3 344.455 3.132 40 0 EGABHN C[C@@H](c1ccccc1)N1CCC(NC(=O)NCCn2cccc2)CC1 ZINC000084440360 453989091 /nfs/dbraw/zinc/98/90/91/453989091.db2.gz GYJQFBMOSGANGB-KRWDZBQOSA-N 0 3 340.471 3.013 40 0 EGABHN CN(CC1CCN(C)CC1)C(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000077611924 454130673 /nfs/dbraw/zinc/13/06/73/454130673.db2.gz SAZINDBTUUMOLD-IAGOWNOFSA-N 0 3 335.879 3.179 40 0 EGABHN CC1CCN(CCNC(=O)N(Cc2ccc(F)cc2)C2CC2)CC1 ZINC000071933051 454260113 /nfs/dbraw/zinc/26/01/13/454260113.db2.gz DIUSRLCGCPZGJH-UHFFFAOYSA-N 0 3 333.451 3.232 40 0 EGABHN CCN1CCn2c(C)cnc2C12CCN(Cc1ccsc1)CC2 ZINC000096037054 454265384 /nfs/dbraw/zinc/26/53/84/454265384.db2.gz CRVSOGKRYRDTKC-UHFFFAOYSA-N 0 3 330.501 3.080 40 0 EGABHN Cc1nc(CN2C[C@]3(CCN(Cc4ccsc4)C3)CC2=O)cs1 ZINC000096050901 454273150 /nfs/dbraw/zinc/27/31/50/454273150.db2.gz XGQZDSITFLDCJM-QGZVFWFLSA-N 0 3 347.509 3.138 40 0 EGABHN Cc1ccc([C@H](CNC(=O)c2[nH]nc3ccccc32)N2CCCC2)cc1 ZINC000060239027 454274335 /nfs/dbraw/zinc/27/43/35/454274335.db2.gz ROPSOPCTCKXNJO-IBGZPJMESA-N 0 3 348.450 3.438 40 0 EGABHN Cc1cccc(CN2CCC3(CO[C@H](COCC4CC4)C3)CC2)n1 ZINC000096105969 454283237 /nfs/dbraw/zinc/28/32/37/454283237.db2.gz FXKMWVPMCVFIAC-IBGZPJMESA-N 0 3 330.472 3.188 40 0 EGABHN c1cc(CN2CCC3(CCOC[C@@H]3COCC3CC3)CC2)ccn1 ZINC000096106462 454284485 /nfs/dbraw/zinc/28/44/85/454284485.db2.gz GKVLJWACTHVGQI-LJQANCHMSA-N 0 3 330.472 3.127 40 0 EGABHN Cc1ccsc1CN1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000096107598 454284828 /nfs/dbraw/zinc/28/48/28/454284828.db2.gz SUMYWSDMHSVCDH-WMZOPIPTSA-N 0 3 330.453 3.264 40 0 EGABHN c1cc(CN2CC[C@@H]3O[C@H](COCc4ccncc4)CC[C@@H]32)cs1 ZINC000096186153 454299557 /nfs/dbraw/zinc/29/95/57/454299557.db2.gz JBADOEOVJJLYAY-FHWLQOOXSA-N 0 3 344.480 3.482 40 0 EGABHN c1cc(CN2CC[C@@H]3O[C@@H](COCc4ccncc4)CC[C@@H]32)cs1 ZINC000096186778 454300147 /nfs/dbraw/zinc/30/01/47/454300147.db2.gz JBADOEOVJJLYAY-QYZOEREBSA-N 0 3 344.480 3.482 40 0 EGABHN Cc1ccc(CN2CCC3(CC2)NC(=O)C[C@@H]3c2cccnc2)s1 ZINC000096199708 454301943 /nfs/dbraw/zinc/30/19/43/454301943.db2.gz LGRLUPIFDPXJGQ-QGZVFWFLSA-N 0 3 341.480 3.090 40 0 EGABHN Cc1ccc(CN2CCC3(CN(Cc4cccnc4)C3=O)CC2)cc1 ZINC000096202869 454302021 /nfs/dbraw/zinc/30/20/21/454302021.db2.gz HIAGLBYNLWNZMP-UHFFFAOYSA-N 0 3 335.451 3.015 40 0 EGABHN Cc1cccc(CN2CC[C@H](OCC3CC3)[C@@H]2Cc2ccncc2)n1 ZINC000096200783 454302736 /nfs/dbraw/zinc/30/27/36/454302736.db2.gz IAQNIIYCRLVKOE-SFTDATJTSA-N 0 3 337.467 3.397 40 0 EGABHN Cc1ncsc1CN1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC000096209004 454305079 /nfs/dbraw/zinc/30/50/79/454305079.db2.gz XDAKSFKSOWKRNR-MRXNPFEDSA-N 0 3 345.468 3.049 40 0 EGABHN Cc1cc(CN2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)oc1C ZINC000096221737 454308769 /nfs/dbraw/zinc/30/87/69/454308769.db2.gz GPZXHVJBMWYCSA-LJQANCHMSA-N 0 3 342.439 3.494 40 0 EGABHN CN(C)C[C@@H]1CSCCCN1C(=O)CCSc1ccccc1 ZINC000090700126 454336426 /nfs/dbraw/zinc/33/64/26/454336426.db2.gz VSTOTXAZZKIVCO-OAHLLOKOSA-N 0 3 338.542 3.065 40 0 EGABHN COc1cc(C)c([C@@H](C)N[C@@H]2CCCN(C(C)C)C2=O)cc1OC ZINC000096449371 454355422 /nfs/dbraw/zinc/35/54/22/454355422.db2.gz JEVSAHRPPAVZMP-GDBMZVCRSA-N 0 3 334.460 3.062 40 0 EGABHN CN(C)Cc1ccc(C(=O)Nc2cccc(Nc3cnn(C)c3)c2)cc1 ZINC000096449959 454355515 /nfs/dbraw/zinc/35/55/15/454355515.db2.gz WQDFHABLKXXBRV-UHFFFAOYSA-N 0 3 349.438 3.478 40 0 EGABHN CNS(=O)(=O)c1cccc([C@H](C)NC[C@@H](C)c2ccsc2)c1 ZINC000096478868 454363673 /nfs/dbraw/zinc/36/36/73/454363673.db2.gz PZEDTZWYPKFARX-OLZOCXBDSA-N 0 3 338.498 3.111 40 0 EGABHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Nc1c(F)cc(F)cc1Cl ZINC000096487574 454367519 /nfs/dbraw/zinc/36/75/19/454367519.db2.gz FDJVTCHRMWLIHS-RNCFNFMXSA-N 0 3 331.794 3.422 40 0 EGABHN CC(C)(CN[C@H]1CCCS(=O)(=O)C1)Cc1cccc(Cl)c1 ZINC000096491693 454368655 /nfs/dbraw/zinc/36/86/55/454368655.db2.gz FJVDNCCQKVZHKH-HNNXBMFYSA-N 0 3 329.893 3.076 40 0 EGABHN CCOc1cccc2cc([C@H](C)N[C@H]3CCc4nc(C)nn4C3)oc21 ZINC000096493386 454369886 /nfs/dbraw/zinc/36/98/86/454369886.db2.gz ZMXBBGGDQWLBON-WFASDCNBSA-N 0 3 340.427 3.397 40 0 EGABHN C[C@H](NC[C@@]1(O)CCSC1)c1ccc(Br)cc1F ZINC000127506929 454971635 /nfs/dbraw/zinc/97/16/35/454971635.db2.gz OWLNPRLSFIEJBZ-ZANVPECISA-N 0 3 334.254 3.107 40 0 EGABHN O[C@H](COCc1ccco1)CN1CCc2sccc2[C@H]1C1CC1 ZINC000245237583 455281621 /nfs/dbraw/zinc/28/16/21/455281621.db2.gz OPXFGKBQAYKWLB-KBXCAEBGSA-N 0 3 333.453 3.228 40 0 EGABHN CCN1CCN(c2cccc(NCc3cnc4ccccn34)c2)CC1 ZINC000191884455 455527789 /nfs/dbraw/zinc/52/77/89/455527789.db2.gz BXPYXOVPSMNXFT-UHFFFAOYSA-N 0 3 335.455 3.088 40 0 EGABHN COc1ccc(C)cc1CN1C[C@@H]2CC[C@@](O)(c3ccccn3)[C@H]2C1 ZINC000247906338 455653904 /nfs/dbraw/zinc/65/39/04/455653904.db2.gz KEIJZPQCLZFUQA-MDKPJZGXSA-N 0 3 338.451 3.128 40 0 EGABHN C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCCC[C@H]2O)CCN1Cc1ccccc1 ZINC000253418515 455843064 /nfs/dbraw/zinc/84/30/64/455843064.db2.gz SISXWYHCAQGLEF-GSEOLPGOSA-N 0 3 344.499 3.097 40 0 EGABHN Cc1ccc(C(=O)N2CCCC[C@H]3[C@@H]2[C@H](c2ccccc2)CN3C)cn1 ZINC000257261934 455880854 /nfs/dbraw/zinc/88/08/54/455880854.db2.gz LJJBYEOCZWVPOG-ACRUOGEOSA-N 0 3 349.478 3.483 40 0 EGABHN CNc1cc(C)nc([C@H]2CN(C(=O)c3cccc(Cl)c3)CCO2)c1 ZINC000257302552 455886170 /nfs/dbraw/zinc/88/61/70/455886170.db2.gz SDIWHEBAPFKXAT-QGZVFWFLSA-N 0 3 345.830 3.299 40 0 EGABHN Cc1csc(C(=O)N2CCO[C@@H](c3cc(N(C)C)cc(C)n3)C2)c1 ZINC000257327773 455892810 /nfs/dbraw/zinc/89/28/10/455892810.db2.gz XCQFAKNMZOJHGH-MRXNPFEDSA-N 0 3 345.468 3.040 40 0 EGABHN Cc1cccc(Nc2cc(C3CCN([C@H]4CCOC4)CC3)ccn2)n1 ZINC000257335299 455894668 /nfs/dbraw/zinc/89/46/68/455894668.db2.gz YJOGKYPNUAXHLH-SFHVURJKSA-N 0 3 338.455 3.497 40 0 EGABHN Cc1cc2ccccc2n1CC(=O)N1CCCC[C@@H]2[C@H]1CCN2C ZINC000257332071 455894694 /nfs/dbraw/zinc/89/46/94/455894694.db2.gz XVQKLMVFTARWIP-RTBURBONSA-N 0 3 325.456 3.035 40 0 EGABHN CNS(=O)(=O)Cc1ccc(CN[C@@H](C)c2cccc(C)c2C)cc1 ZINC000195540554 455981893 /nfs/dbraw/zinc/98/18/93/455981893.db2.gz VIUMJAUDGNXWOW-INIZCTEOSA-N 0 3 346.496 3.203 40 0 EGABHN CC(C)(C)C[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000225548727 456092410 /nfs/dbraw/zinc/09/24/10/456092410.db2.gz NLYMZKJXYJDHJK-CZUORRHYSA-N 0 3 327.465 3.327 40 0 EGABHN c1cncc(-c2ccc3nc([C@H]4CCCN(CC5CC5)C4)nn3c2)c1 ZINC000306135953 456568350 /nfs/dbraw/zinc/56/83/50/456568350.db2.gz PFBTYHUAGIAKTM-SFHVURJKSA-N 0 3 333.439 3.381 40 0 EGABHN CCOc1ccccc1C(=O)N1CCC[C@]2(CCN2CC(C)C)C1 ZINC000585101856 459824172 /nfs/dbraw/zinc/82/41/72/459824172.db2.gz JGHPGRVUPHISOI-FQEVSTJZSA-N 0 3 330.472 3.422 40 0 EGABHN Cc1cccnc1CN1CCC2(CC(NC(=O)OC(C)C)C2)CC1 ZINC000585104003 459824184 /nfs/dbraw/zinc/82/41/84/459824184.db2.gz VFAURNNVLWXYTC-UHFFFAOYSA-N 0 3 331.460 3.269 40 0 EGABHN CCc1cc2c(nc(C)nc2NC2CCN(CCOC)CC2)s1 ZINC000641308779 461211926 /nfs/dbraw/zinc/21/19/26/461211926.db2.gz AOJXEZDNEVHQRG-UHFFFAOYSA-N 0 3 334.489 3.085 40 0 EGABHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1C1CC1 ZINC000584908315 548099032 /nfs/dbraw/zinc/09/90/32/548099032.db2.gz RUOUJZUPTDCKNX-AWEZNQCLSA-N 0 3 344.480 3.404 40 0 EGABHN O=C(c1cccc(Cl)c1)N1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000004685725 210247695 /nfs/dbraw/zinc/24/76/95/210247695.db2.gz NUPOXGUGXABKNY-VYDXJSESSA-N 0 3 330.859 3.310 40 0 EGABHN CC1CCN(CCNC(=O)c2ccc(Br)cc2F)CC1 ZINC000040108068 213266946 /nfs/dbraw/zinc/26/69/46/213266946.db2.gz UCJCIRPLHMAWHX-UHFFFAOYSA-N 0 3 343.240 3.050 40 0 EGABHN COCCN1CCC(c2nccnc2Oc2ccccc2OC)CC1 ZINC000072361788 216166937 /nfs/dbraw/zinc/16/69/37/216166937.db2.gz DNXOJKOUHKDZAA-UHFFFAOYSA-N 0 3 343.427 3.103 40 0 EGABHN Cc1ccc(CN(CCN(C)C)Cc2ccnn2[C@@H]2CCCCO2)o1 ZINC000023247809 212363891 /nfs/dbraw/zinc/36/38/91/212363891.db2.gz AGRVNFRQPIUPCS-IBGZPJMESA-N 0 3 346.475 3.047 40 0 EGABHN Cc1nc(C)c(C(=O)N2CC[C@@H](c3cc(N(C)C)cc(C)n3)C2)s1 ZINC000257231289 244213833 /nfs/dbraw/zinc/21/38/33/244213833.db2.gz GGAOPQDUUACSBZ-CQSZACIVSA-N 0 3 344.484 3.159 40 0 EGABHN Cc1c[nH]c(-c2cc(CC3CCN(Cc4ccccn4)CC3)ncn2)n1 ZINC000257286707 244423923 /nfs/dbraw/zinc/42/39/23/244423923.db2.gz PMRQPJJQVUJHTR-UHFFFAOYSA-N 0 3 348.454 3.025 40 0 EGABHN Cc1ccc2[nH]c3nc(SCCN4CCCCC4)nnc3c2c1 ZINC000019893261 212079638 /nfs/dbraw/zinc/07/96/38/212079638.db2.gz JTNATYJQTCPIFJ-UHFFFAOYSA-N 0 3 327.457 3.393 40 0 EGABHN CCc1ccc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)o1 ZINC000019522919 212037195 /nfs/dbraw/zinc/03/71/95/212037195.db2.gz MNORGWWSWVOCMK-CQSZACIVSA-N 0 3 339.443 3.155 40 0 EGABHN CCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccccc3)C2)no1 ZINC000019503706 212035843 /nfs/dbraw/zinc/03/58/43/212035843.db2.gz JCJLIKIFQALMAC-MRXNPFEDSA-N 0 3 327.428 3.194 40 0 EGABHN CN(C)CCN(Cc1ccccn1)C(=O)C[C@@H]1CCc2ccccc21 ZINC000079361774 217216183 /nfs/dbraw/zinc/21/61/83/217216183.db2.gz SGCBCNUGFTYZSZ-SFHVURJKSA-N 0 3 337.467 3.092 40 0 EGABHN C[C@@H](C(=O)NC[C@H]1CCCN(C)C1)c1ccc(Br)s1 ZINC000080127384 217280325 /nfs/dbraw/zinc/28/03/25/217280325.db2.gz SFSLXEHEVAEUIE-GHMZBOCLSA-N 0 3 345.306 3.072 40 0 EGABHN CCNC(=S)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(C)cc1 ZINC000012481432 211392378 /nfs/dbraw/zinc/39/23/78/211392378.db2.gz BPTSFPVJQRVUEH-AYHJJNSGSA-N 0 3 331.529 3.365 40 0 EGABHN C[C@H](NCCOc1ccc(F)cc1F)c1ccc([S@@](C)=O)cc1 ZINC000095423594 218365753 /nfs/dbraw/zinc/36/57/53/218365753.db2.gz YIFAOOGNRFZBDY-MYODQAERSA-N 0 3 339.407 3.432 40 0 EGABHN CC[C@@H]1N(Cc2ccc(F)cc2)CCC[C@]12CCC(=O)N2CCOC ZINC000096052439 287312737 /nfs/dbraw/zinc/31/27/37/287312737.db2.gz HLKKPSKENTXJCE-ICSRJNTNSA-N 0 3 348.462 3.208 40 0 EGABHN O[C@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccccc1 ZINC000012293295 275056774 /nfs/dbraw/zinc/05/67/74/275056774.db2.gz LCAKEVQNPLJYRL-RTBURBONSA-N 0 3 339.435 3.071 40 0 EGABHN CCC[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccccc1 ZINC000013152243 276050919 /nfs/dbraw/zinc/05/09/19/276050919.db2.gz GIMFMMZYZOBIBJ-BZSNNMDCSA-N 0 3 336.391 3.165 40 0 EGABHN CCN(CC)Cc1nc(C2(O)CCN(C3CCCC3)CC2)cs1 ZINC000225462818 279139002 /nfs/dbraw/zinc/13/90/02/279139002.db2.gz HNDQCLIKNFSURL-UHFFFAOYSA-N 0 3 337.533 3.211 40 0 biogenic,in-vitro EGABHN CCN(CC)Cc1nc(C2(O)CCN(CCC(C)C)CC2)cs1 ZINC000225463063 279139143 /nfs/dbraw/zinc/13/91/43/279139143.db2.gz GKKVDAGXBOYGMP-UHFFFAOYSA-N 0 3 339.549 3.314 40 0 biogenic,in-vitro EGABHN O[C@H](CN1CCC(n2ccc(C(F)(F)F)n2)CC1)c1ccccc1 ZINC000183149254 455238990 /nfs/dbraw/zinc/23/89/90/455238990.db2.gz XKIQEFSAWGGVBF-OAHLLOKOSA-N 0 3 339.361 3.272 40 0 EGABHN FC(F)(F)Oc1cccc(N2CC[C@@H](NCc3cncs3)C2)c1 ZINC000240894812 455265719 /nfs/dbraw/zinc/26/57/19/455265719.db2.gz IQCGITZJVYSGRS-LLVKDONJSA-N 0 3 343.374 3.410 40 0 EGABHN Cc1cc(N[C@H](C)c2cnccn2)cc(N2CCN(C(C)C)CC2)c1 ZINC000190795538 455384715 /nfs/dbraw/zinc/38/47/15/455384715.db2.gz ASXWAOFUIYZMLT-QGZVFWFLSA-N 0 3 339.487 3.489 40 0 EGABHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)/C=C/c1cscn1 ZINC000076389825 453996352 /nfs/dbraw/zinc/99/63/52/453996352.db2.gz PHGKEJYLISEYIU-ROJDOSBLSA-N 0 3 341.480 3.279 40 0 EGABHN CCOc1cc(-c2nc([C@@H](N)c3ccc(C)cc3)n[nH]2)ccc1OC ZINC000095534199 454230217 /nfs/dbraw/zinc/23/02/17/454230217.db2.gz UEMRPIOMDCFEEH-KRWDZBQOSA-N 0 3 338.411 3.236 40 0 EGABHN c1coc(CN2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)c1 ZINC000096040221 454266802 /nfs/dbraw/zinc/26/68/02/454266802.db2.gz JJXWLGXJZZLBOO-VQTJNVASSA-N 0 3 342.439 3.263 40 0 EGABHN COc1ccc(N[C@H]2CO[C@@]3(CCN(Cc4ccoc4)C3)C2)cc1 ZINC000096047608 454270610 /nfs/dbraw/zinc/27/06/10/454270610.db2.gz ALNHPADQVLGLED-MJGOQNOKSA-N 0 3 328.412 3.134 40 0 EGABHN c1csc(CN2CCC3(CC2)CN(Cc2cccnc2)CCO3)c1 ZINC000096048930 454271333 /nfs/dbraw/zinc/27/13/33/454271333.db2.gz BWKSDBVPZAMHLB-UHFFFAOYSA-N 0 3 343.496 3.010 40 0 EGABHN c1cc(CN2CCC[C@]3(C2)COCCN(c2cccnc2)C3)cs1 ZINC000096049544 454272951 /nfs/dbraw/zinc/27/29/51/454272951.db2.gz SSFJSEBYPSUXEG-LJQANCHMSA-N 0 3 343.496 3.262 40 0 EGABHN Cc1ccc(CN2CCC3(CC2)OCC(=O)N(CC2CC2)[C@@H]3C)s1 ZINC000096062245 454279083 /nfs/dbraw/zinc/27/90/83/454279083.db2.gz DVDJSQHSFZOEJZ-OAHLLOKOSA-N 0 3 348.512 3.048 40 0 EGABHN Cc1nc(CN2CCCC23CCN(Cc2ccccn2)CC3)cs1 ZINC000096075300 454280003 /nfs/dbraw/zinc/28/00/03/454280003.db2.gz RHVUJKZTAZWANF-UHFFFAOYSA-N 0 3 342.512 3.477 40 0 EGABHN Cc1noc(C)c1CN1CCCC12CCN(C(=O)c1ccco1)CC2 ZINC000096075297 454280302 /nfs/dbraw/zinc/28/03/02/454280302.db2.gz RKYPFTSORFEGMF-UHFFFAOYSA-N 0 3 343.427 3.155 40 0 EGABHN Cc1ccc(CN2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)s1 ZINC000096072510 454280502 /nfs/dbraw/zinc/28/05/02/454280502.db2.gz LTLFTHGJBMNQKT-WMZOPIPTSA-N 0 3 330.453 3.264 40 0 EGABHN O=C(Nc1ccccc1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096090679 454281178 /nfs/dbraw/zinc/28/11/78/454281178.db2.gz ZNBFXUDSUUKNJS-CALCHBBNSA-N 0 3 339.414 3.421 40 0 EGABHN c1csc(CN2CCC3(C[C@@H](OCc4ccncc4)CO3)CC2)c1 ZINC000096106815 454284861 /nfs/dbraw/zinc/28/48/61/454284861.db2.gz RGDSSNDWKJXIQN-QGZVFWFLSA-N 0 3 344.480 3.483 40 0 EGABHN c1cc(CN2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)cs1 ZINC000096186792 454300350 /nfs/dbraw/zinc/30/03/50/454300350.db2.gz SFIUSEKCAGOJSH-QYZOEREBSA-N 0 3 344.480 3.482 40 0 EGABHN Cc1ncc([C@H](C)NC[C@H](c2ccccc2)N2CCOCC2)s1 ZINC000090401226 454300839 /nfs/dbraw/zinc/30/08/39/454300839.db2.gz SCDANNFCYZSZIO-WMLDXEAASA-N 0 3 331.485 3.176 40 0 EGABHN Cc1ccsc1CN1C[C@H]2OC[C@@H](COc3ccc(C)nc3)[C@H]2C1 ZINC000096219581 454307459 /nfs/dbraw/zinc/30/74/59/454307459.db2.gz LCIYHDSDYJAICD-KBAYOESNSA-N 0 3 344.480 3.286 40 0 EGABHN Cc1nc(CN2CC[C@@]3(CCCN(Cc4ccoc4)C3)C2=O)cs1 ZINC000096224371 454309477 /nfs/dbraw/zinc/30/94/77/454309477.db2.gz QGJANOZGHWRSTP-GOSISDBHSA-N 0 3 345.468 3.059 40 0 EGABHN C[C@H](CCN[C@@H]1CCCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000096491680 454368944 /nfs/dbraw/zinc/36/89/44/454368944.db2.gz ISVPSVXLECNTKR-IUODEOHRSA-N 0 3 349.418 3.366 40 0 EGABHN Cc1cc(NC(=O)NC2CCN(C)CC2)nn1-c1ccccc1Cl ZINC000096495615 454370597 /nfs/dbraw/zinc/37/05/97/454370597.db2.gz YBHVMNJKPFGANE-UHFFFAOYSA-N 0 3 347.850 3.050 40 0 EGABHN NC(=O)N1CCC(NCc2ccc(-c3ccccc3)cc2F)CC1 ZINC000096500120 454371952 /nfs/dbraw/zinc/37/19/52/454371952.db2.gz XFRULBWXUOENKA-UHFFFAOYSA-N 0 3 327.403 3.125 40 0 EGABHN CC(C)NC(=O)[C@@H]1CCC[C@H](NCc2ccn(-c3ccccc3)n2)C1 ZINC000091060649 454374423 /nfs/dbraw/zinc/37/44/23/454374423.db2.gz XKFHEMFATZECPT-SJORKVTESA-N 0 3 340.471 3.045 40 0 EGABHN CC(C)C[C@@H]1N[C@H](C(=O)NCC2CC2)Cc2cn(C)c3cccc1c23 ZINC000049171484 454537788 /nfs/dbraw/zinc/53/77/88/454537788.db2.gz FTMQOUZQNFCZKZ-ROUUACIJSA-N 0 3 339.483 3.306 40 0 biogenic,in-vitro EGABHN c1coc(CN2CC[C@@H]3OCCC[C@@]3(COCc3ccncc3)C2)c1 ZINC000107712379 454770235 /nfs/dbraw/zinc/77/02/35/454770235.db2.gz ISHJGZWJLXIHDY-PMACEKPBSA-N 0 3 342.439 3.263 40 0 EGABHN O=C(NC1CC(F)(F)C1)[C@H]1CCC[C@]12CCN(Cc1ccco1)C2 ZINC000108525032 454801550 /nfs/dbraw/zinc/80/15/50/454801550.db2.gz YBJIHEIWDGJRLF-NVXWUHKLSA-N 0 3 338.398 3.186 40 0 EGABHN Cc1ncsc1CCN[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185441536 455558233 /nfs/dbraw/zinc/55/82/33/455558233.db2.gz GERFECPCQJOMCS-QGZVFWFLSA-N 0 3 330.432 3.246 40 0 EGABHN CN(Cc1ccco1)[C@@H]1CCC[C@H]2CN(C(=O)c3ccccn3)C[C@H]21 ZINC000248140302 455687251 /nfs/dbraw/zinc/68/72/51/455687251.db2.gz TVANRJKGPVDAOX-KVSKMBFKSA-N 0 3 339.439 3.047 40 0 EGABHN CO[C@H](CN1CCC[C@@H](CNC(=O)C(C)(C)C)C1)c1ccccc1 ZINC000252488334 455811095 /nfs/dbraw/zinc/81/10/95/455811095.db2.gz IPIYFOPSGGSSEO-FUHWJXTLSA-N 0 3 332.488 3.248 40 0 EGABHN CS[C@@H]1CC[C@H](N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)C1 ZINC000252587394 455823018 /nfs/dbraw/zinc/82/30/18/455823018.db2.gz XXPXCJDQOBXUOB-QLFBSQMISA-N 0 3 327.515 3.031 40 0 EGABHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2cc(C)ncc2C)cc1 ZINC000253418427 455842271 /nfs/dbraw/zinc/84/22/71/455842271.db2.gz VIYSKFIWSLJPPR-SFHVURJKSA-N 0 3 342.443 3.131 40 0 EGABHN CCCn1cc(CN2CCCC[C@@]3(C)[C@@H]2CCC(=O)N3CC)cn1 ZINC000257300637 455887024 /nfs/dbraw/zinc/88/70/24/455887024.db2.gz RVDIYZVOPQQRSE-HKUYNNGSSA-N 0 3 332.492 3.049 40 0 EGABHN Cn1cncc1-c1cccc([C@@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000257307282 455887606 /nfs/dbraw/zinc/88/76/06/455887606.db2.gz SYAMZQOCQBAMOI-MRXNPFEDSA-N 0 3 333.439 3.257 40 0 EGABHN CNc1cc(C)nc([C@H]2CCN(C(=O)Cc3sc(C)nc3C)C2)c1 ZINC000257311956 455888703 /nfs/dbraw/zinc/88/87/03/455888703.db2.gz ULTFMKUPRBWPAJ-AWEZNQCLSA-N 0 3 344.484 3.064 40 0 EGABHN Cc1ccc(C(=O)N2CCO[C@@H](c3cc(N(C)C)cc(C)n3)C2)s1 ZINC000257319415 455890853 /nfs/dbraw/zinc/89/08/53/455890853.db2.gz VSIXVGONBPTASH-MRXNPFEDSA-N 0 3 345.468 3.040 40 0 EGABHN COc1ccc2ccccc2c1CN1CCC2(CC1)OCCC[C@@H]2O ZINC000257324594 455891522 /nfs/dbraw/zinc/89/15/22/455891522.db2.gz WPJFHASFKYMQMR-FQEVSTJZSA-N 0 3 341.451 3.354 40 0 EGABHN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ccc(O)cc2)C1 ZINC000195575888 455987057 /nfs/dbraw/zinc/98/70/57/455987057.db2.gz FKCMAHDEESQFKX-AWEZNQCLSA-N 0 3 344.377 3.015 40 0 EGABHN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 ZINC000222773691 456050477 /nfs/dbraw/zinc/05/04/77/456050477.db2.gz ZVSIYQKXLZOKQG-QZTJIDSGSA-N 0 3 349.463 3.260 40 0 EGABHN c1csc(CN2C[C@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)n1 ZINC000306137917 456567872 /nfs/dbraw/zinc/56/78/72/456567872.db2.gz RKCBXZLMELHCHT-CVEARBPZSA-N 0 3 336.464 3.311 40 0 EGABHN Cc1nc(NC[C@H]2N(C)CCCC2(C)C)cc(-c2cccnc2)n1 ZINC000684091588 550290104 /nfs/dbraw/zinc/29/01/04/550290104.db2.gz VQQRWONYQCKGHM-QGZVFWFLSA-N 0 3 325.460 3.379 40 0 EGABHN CC(C)N(C)c1cccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000102716286 219224768 /nfs/dbraw/zinc/22/47/68/219224768.db2.gz IVZFVJLCASNTHN-GOSISDBHSA-N 0 3 328.460 3.009 40 0 EGABHN CC(C)(C)CNC1(Cc2cc(COc3ccccc3)on2)COC1 ZINC000067898184 215246021 /nfs/dbraw/zinc/24/60/21/215246021.db2.gz VJOZNSSIIVDWIB-UHFFFAOYSA-N 0 3 330.428 3.201 40 0 biogenic,in-vitro EGABHN COCCN1CCC[C@H](c2cc(Nc3cccc(C)n3)nc(C)n2)C1 ZINC000072360196 216166431 /nfs/dbraw/zinc/16/64/31/216166431.db2.gz DFHOSCWZEZYEPR-INIZCTEOSA-N 0 3 341.459 3.058 40 0 EGABHN Cc1n[nH]c(C)c1NC(=O)CCc1cc(C)nc([C@@H]2CCCN2C)c1 ZINC000072366901 216172968 /nfs/dbraw/zinc/17/29/68/216172968.db2.gz VELDVJGYBGARMP-KRWDZBQOSA-N 0 3 341.459 3.068 40 0 EGABHN CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[n-]c(C)nc2C3)cc1 ZINC000072373026 216177522 /nfs/dbraw/zinc/17/75/22/216177522.db2.gz FJTVJHXCTOVNSX-JKSUJKDBSA-N 0 3 339.439 3.021 40 0 EGABHN CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[n-]c(C)nc2C3)cc1 ZINC000072373026 216177524 /nfs/dbraw/zinc/17/75/24/216177524.db2.gz FJTVJHXCTOVNSX-JKSUJKDBSA-N 0 3 339.439 3.021 40 0 EGABHN CC(C)N1CCN(Cc2c3cccnc3[nH]c2C(F)(F)F)CC1 ZINC000072393701 216192534 /nfs/dbraw/zinc/19/25/34/216192534.db2.gz FNYBISPDUUDPRH-UHFFFAOYSA-N 0 3 326.366 3.108 40 0 EGABHN O=C(Cc1ccc(F)cc1)NCC1CCN(Cc2cccs2)CC1 ZINC000023128059 212352387 /nfs/dbraw/zinc/35/23/87/212352387.db2.gz IPUGVZJNTFTJJF-UHFFFAOYSA-N 0 3 346.471 3.458 40 0 EGABHN O=Cc1ccc(OCCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000217794308 241274827 /nfs/dbraw/zinc/27/48/27/241274827.db2.gz YQLBBRJYVCHPHB-UHFFFAOYSA-N 0 3 338.451 3.480 40 0 EGABHN Cn1ccc2cc(C[C@@H]3COCCN(Cc4ccncc4)C3)ccc21 ZINC000257277646 244397025 /nfs/dbraw/zinc/39/70/25/244397025.db2.gz NYVNCSRNFXILTB-IBGZPJMESA-N 0 3 335.451 3.264 40 0 EGABHN COc1ccc2[nH]c(CN3CC[C@@H]4[C@@H](C3)CCCC(=O)N4C)cc2c1 ZINC000257293051 244441019 /nfs/dbraw/zinc/44/10/19/244441019.db2.gz QNYBJVADANUPHO-AUUYWEPGSA-N 0 3 341.455 3.009 40 0 EGABHN CN(C)CCN(Cc1cnn(C2CCCCC2)c1)Cc1cccnc1 ZINC000019582651 212047217 /nfs/dbraw/zinc/04/72/17/212047217.db2.gz QNUQTKQOAZNIIJ-UHFFFAOYSA-N 0 3 341.503 3.347 40 0 EGABHN Cc1nc([C@@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)[n-]c(=O)c1C ZINC000019555372 212040464 /nfs/dbraw/zinc/04/04/64/212040464.db2.gz CYFCEWZIPWHXKF-GOSISDBHSA-N 0 3 348.450 3.315 40 0 EGABHN Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)[n-]c(=O)c1C ZINC000019555372 212040466 /nfs/dbraw/zinc/04/04/66/212040466.db2.gz CYFCEWZIPWHXKF-GOSISDBHSA-N 0 3 348.450 3.315 40 0 EGABHN COc1ccc(CN[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1OC ZINC000019561252 212042654 /nfs/dbraw/zinc/04/26/54/212042654.db2.gz KNDKMKZTOQBAFA-DLBZAZTESA-N 0 3 331.387 3.115 40 0 EGABHN c1cnc2ccc(CN3CCc4nc([C@H]5CCCN5)ncc4C3)cc2c1 ZINC000019347043 212019523 /nfs/dbraw/zinc/01/95/23/212019523.db2.gz FQFIDIIHGRRAPT-HXUWFJFHSA-N 0 3 345.450 3.008 40 0 EGABHN CS[C@@H]1CC[C@H](N(C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000110646099 220051774 /nfs/dbraw/zinc/05/17/74/220051774.db2.gz PQZVUHZHPRKMHH-RWMBFGLXSA-N 0 3 338.439 3.003 40 0 EGABHN Cc1ccc2[nH]c([C@H]3CCCN(C[C@@H](O)COC(C)(C)C)C3)nc2c1 ZINC000110705895 220059524 /nfs/dbraw/zinc/05/95/24/220059524.db2.gz XKOYWPCBIOFVOA-JKSUJKDBSA-N 0 3 345.487 3.227 40 0 EGABHN Cc1ccc2nc([C@H]3CCCN(C[C@@H](O)COC(C)(C)C)C3)[nH]c2c1 ZINC000110705895 220059527 /nfs/dbraw/zinc/05/95/27/220059527.db2.gz XKOYWPCBIOFVOA-JKSUJKDBSA-N 0 3 345.487 3.227 40 0 EGABHN COC[C@@H]1CCCN(Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000093337332 218216007 /nfs/dbraw/zinc/21/60/07/218216007.db2.gz LVCAMNIOPOWGCM-LJQANCHMSA-N 0 3 327.472 3.407 40 0 EGABHN Cc1n[nH]c(C)c1NC(=O)CN[C@H]1c2ccccc2CCC1(C)C ZINC000097373759 219017105 /nfs/dbraw/zinc/01/71/05/219017105.db2.gz MGZNKUJCDLLXQN-SFHVURJKSA-N 0 3 326.444 3.268 40 0 EGABHN C[C@@H](NCC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1cnn(C)c1 ZINC000097373413 219017332 /nfs/dbraw/zinc/01/73/32/219017332.db2.gz NRBBGKNDOWVUEZ-CQSZACIVSA-N 0 3 336.480 3.108 40 0 EGABHN Cc1ccccc1CN1CCC(NC(=O)N(C)[C@H]2CCSC2)CC1 ZINC000122410369 222080185 /nfs/dbraw/zinc/08/01/85/222080185.db2.gz BEGCIEAURAUKHM-SFHVURJKSA-N 0 3 347.528 3.106 40 0 EGABHN Cc1ccc(O[C@H](C)C(=O)N[C@H](CN(C)C)c2ccccc2)cc1 ZINC000048325629 274755763 /nfs/dbraw/zinc/75/57/63/274755763.db2.gz SQEVYQSXVMMQGW-VQIMIIECSA-N 0 3 326.440 3.181 40 0 EGABHN CN1CCC2(CC1)C[C@H](NC(=O)CC(F)(F)F)c1ccccc1O2 ZINC000096079738 277035879 /nfs/dbraw/zinc/03/58/79/277035879.db2.gz JNEXUASYBKAWHD-ZDUSSCGKSA-N 0 3 342.361 3.043 40 0 EGABHN O=C(c1ccc(Cl)s1)N1CCCSC[C@H]1CN1CCCC1 ZINC000085473210 280184870 /nfs/dbraw/zinc/18/48/70/280184870.db2.gz LUPRMLRXTCZQLW-GFCCVEGCSA-N 0 3 344.933 3.445 40 0 EGABHN C[C@H](NC[C@H](O)c1ccccc1F)c1cccc(-n2ccnc2)c1 ZINC000189900234 455251733 /nfs/dbraw/zinc/25/17/33/455251733.db2.gz VTOCZENKZMWWPM-LIRRHRJNSA-N 0 3 325.387 3.396 40 0 EGABHN CCCOC(C(=O)OCCN(C)C)(c1ccccc1)c1ccccc1 ZINC000001608966 452669086 /nfs/dbraw/zinc/66/90/86/452669086.db2.gz XQTSGIHBALDETG-UHFFFAOYSA-N 0 3 341.451 3.462 40 0 EGABHN OC[C@H]1C=C[C@@H](N[C@@H]2CCCOc3c(Br)cccc32)C1 ZINC000183576386 455308274 /nfs/dbraw/zinc/30/82/74/455308274.db2.gz QVGKHHIYRRJUKJ-YWPYICTPSA-N 0 3 338.245 3.189 40 0 EGABHN CN(C)Cc1ccc(CNC(=O)COc2ccccc2Cl)cc1 ZINC000008431013 453205202 /nfs/dbraw/zinc/20/52/02/453205202.db2.gz FZDLHMHZSZAVHH-UHFFFAOYSA-N 0 3 332.831 3.097 40 0 EGABHN CCOc1ccc([C@@H](N)c2n[nH]c(-c3ccccc3C)n2)cc1OC ZINC000095534287 454230078 /nfs/dbraw/zinc/23/00/78/454230078.db2.gz SWIQPFZCWOEBNK-QGZVFWFLSA-N 0 3 338.411 3.236 40 0 EGABHN O=C(NC1CCCC1)[C@@H]1CCO[C@@H]2CCN(Cc3ccsc3)C[C@H]21 ZINC000096043340 454267581 /nfs/dbraw/zinc/26/75/81/454267581.db2.gz BNIBCCIAIJKPIU-FGTMMUONSA-N 0 3 348.512 3.034 40 0 EGABHN O=C(c1cccnc1)N1CCC[C@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096047037 454269382 /nfs/dbraw/zinc/26/93/82/454269382.db2.gz FOOKPZAUJICEBT-LJQANCHMSA-N 0 3 341.480 3.271 40 0 EGABHN c1csc(CN2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)c1 ZINC000096049539 454273091 /nfs/dbraw/zinc/27/30/91/454273091.db2.gz HMCBSXYMUVTODJ-IBGZPJMESA-N 0 3 343.496 3.262 40 0 EGABHN c1cc(CN2CCc3ncc(CNc4ccccn4)n3CC2)cs1 ZINC000096067937 454278138 /nfs/dbraw/zinc/27/81/38/454278138.db2.gz UCOREIBVHVKDES-UHFFFAOYSA-N 0 3 339.468 3.010 40 0 EGABHN CN(C)C(=O)CC1CCC2(CC1)CCN(Cc1cccnc1)CC2 ZINC000096159362 454295551 /nfs/dbraw/zinc/29/55/51/454295551.db2.gz DNIMXBRSCMAEGZ-UHFFFAOYSA-N 0 3 329.488 3.332 40 0 EGABHN COc1ccc(CN2CCc3ncnc(-c4ccncc4)c3CC2)cc1 ZINC000096187630 454299847 /nfs/dbraw/zinc/29/98/47/454299847.db2.gz SAUPEKNPOMHONS-UHFFFAOYSA-N 0 3 346.434 3.148 40 0 EGABHN Cc1cccc(CN2CCC[C@]3(CCN(Cc4ccncc4)C3)C2)n1 ZINC000096216141 454304967 /nfs/dbraw/zinc/30/49/67/454304967.db2.gz PDWXTBQEVLEPIE-NRFANRHFSA-N 0 3 336.483 3.273 40 0 EGABHN Cc1noc(C)c1CN1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000096238797 454310972 /nfs/dbraw/zinc/31/09/72/454310972.db2.gz NJRRRHABNRMZIC-IBGZPJMESA-N 0 3 343.402 3.060 40 0 EGABHN Cc1ncsc1CCN1CCC(C(=O)Nc2cccc(C)n2)CC1 ZINC000096414826 454331113 /nfs/dbraw/zinc/33/11/13/454331113.db2.gz ICQXORPLHHBMQS-UHFFFAOYSA-N 0 3 344.484 3.048 40 0 EGABHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccnc(Cl)c1 ZINC000096432968 454343330 /nfs/dbraw/zinc/34/33/30/454343330.db2.gz FLVYHXOOYNCOTP-MRXNPFEDSA-N 0 3 343.858 3.329 40 0 EGABHN Cc1ccc(CC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cn1 ZINC000096444853 454351831 /nfs/dbraw/zinc/35/18/31/454351831.db2.gz CQMYRDIJXVGLMJ-HXUWFJFHSA-N 0 3 337.467 3.056 40 0 EGABHN C[C@H](NCc1ccnc(N2CCO[C@@H](C)C2)c1)c1cccc(F)c1 ZINC000096479022 454363973 /nfs/dbraw/zinc/36/39/73/454363973.db2.gz WAWFYCZEFQWQGU-GJZGRUSLSA-N 0 3 329.419 3.297 40 0 EGABHN COc1ccccc1NC1CCN([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000096493111 454370048 /nfs/dbraw/zinc/37/00/48/454370048.db2.gz VEZRRULFPBLUBW-PZJWPPBQSA-N 0 3 338.451 3.230 40 0 EGABHN CC(C)[C@H](NCc1ccc(C(N)=O)cc1)c1ccc2c(c1)OCCO2 ZINC000048341513 454475167 /nfs/dbraw/zinc/47/51/67/454475167.db2.gz WTDTXAIQQNWHRV-IBGZPJMESA-N 0 3 340.423 3.044 40 0 EGABHN CC(=O)Nc1ccc(CN2CC[C@H](c3nnc(C(C)(C)C)o3)C2)cc1 ZINC000049170678 454537358 /nfs/dbraw/zinc/53/73/58/454537358.db2.gz XSGWSKPJKAXMOB-HNNXBMFYSA-N 0 3 342.443 3.315 40 0 biogenic,in-vitro EGABHN Cc1cc(Br)cc(C(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000124415670 454729693 /nfs/dbraw/zinc/72/96/93/454729693.db2.gz PVMMBEDYSWNMQO-HNNXBMFYSA-N 0 3 337.261 3.068 40 0 EGABHN c1cc(CN2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)cs1 ZINC000108531924 454801426 /nfs/dbraw/zinc/80/14/26/454801426.db2.gz HJWNDZNCPNYBBB-MRXNPFEDSA-N 0 3 344.484 3.164 40 0 EGABHN Cc1ncsc1CN1CCC2(CC(NC(=O)c3ccsc3)C2)C1 ZINC000108528337 454801518 /nfs/dbraw/zinc/80/15/18/454801518.db2.gz JHWCJKDMXABEET-UHFFFAOYSA-N 0 3 347.509 3.298 40 0 EGABHN Cn1ccnc1[C@H](NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC1 ZINC000127633559 454983739 /nfs/dbraw/zinc/98/37/39/454983739.db2.gz DYVQBLGENUZNRC-FZKQIMNGSA-N 0 3 346.425 3.266 40 0 EGABHN Cc1ccsc1C(=O)N1CCO[C@@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257287462 455882989 /nfs/dbraw/zinc/88/29/89/455882989.db2.gz PQCAZYSRFKLENH-MRXNPFEDSA-N 0 3 345.468 3.040 40 0 EGABHN Cc1nc(C(=O)N2CCCC[C@@H]3[C@@H]2C[C@H](c2ccccc2)N3C)co1 ZINC000257288801 455883854 /nfs/dbraw/zinc/88/38/54/455883854.db2.gz PVTHIKGPDPAYOP-QRVBRYPASA-N 0 3 339.439 3.423 40 0 EGABHN CN(C)c1cc(C(=O)OC2CCN(Cc3ccsc3)CC2)ccn1 ZINC000195568077 455986442 /nfs/dbraw/zinc/98/64/42/455986442.db2.gz FIEMHYWZGLANGP-UHFFFAOYSA-N 0 3 345.468 3.031 40 0 EGABHN Cc1ccsc1CN1C[C@H]2OC[C@@H](CNc3ccccn3)[C@H]2C1 ZINC000306143422 456569208 /nfs/dbraw/zinc/56/92/08/456569208.db2.gz YCAFLQQADCGACF-BZUAXINKSA-N 0 3 329.469 3.010 40 0 EGABHN O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@@]12CCN(Cc1ccco1)C2 ZINC000503832921 458726071 /nfs/dbraw/zinc/72/60/71/458726071.db2.gz YBJIHEIWDGJRLF-RDJZCZTQSA-N 0 3 338.398 3.186 40 0 EGABHN CN(CCc1ccccn1)[C@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585290623 459833863 /nfs/dbraw/zinc/83/38/63/459833863.db2.gz YRMAVGWTMNXDTC-XUVXKRRUSA-N 0 3 344.430 3.056 40 0 EGABHN Fc1ccc(CN2C[C@@H]3Cn4c(-c5cccnc5)cnc4[C@H]3C2)cc1 ZINC000306129614 547459888 /nfs/dbraw/zinc/45/98/88/547459888.db2.gz IIGCIKXSOAARGS-AEFFLSMTSA-N 0 3 334.398 3.313 40 0 EGABHN Cc1nc(NC[C@@H]2N(C)CCCC2(C)C)cc(-c2cccnc2)n1 ZINC000684091580 550290130 /nfs/dbraw/zinc/29/01/30/550290130.db2.gz VQQRWONYQCKGHM-KRWDZBQOSA-N 0 3 325.460 3.379 40 0 EGABHN O=C(NCc1ccc([O-])c(F)c1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000684805727 550371251 /nfs/dbraw/zinc/37/12/51/550371251.db2.gz PPJOLMZCEOZUKC-INIZCTEOSA-N 0 3 349.450 3.128 40 0 EGABHN O=C(NCc1ccc([O-])c(F)c1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000684805727 550371253 /nfs/dbraw/zinc/37/12/53/550371253.db2.gz PPJOLMZCEOZUKC-INIZCTEOSA-N 0 3 349.450 3.128 40 0 EGABHN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1cnn(C(C)(C)C)c1 ZINC000183396604 235049088 /nfs/dbraw/zinc/04/90/88/235049088.db2.gz PSWAXIAVMHAQMB-QAPCUYQASA-N 0 3 327.476 3.356 40 0 EGABHN Cc1noc(C)c1CC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000036753150 213117123 /nfs/dbraw/zinc/11/71/23/213117123.db2.gz YWEKZUCUVYGXTF-IBGZPJMESA-N 0 3 341.455 3.177 40 0 EGABHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1nnc(C2CCCCC2)o1 ZINC000036652100 213107695 /nfs/dbraw/zinc/10/76/95/213107695.db2.gz UIRLZVUAIUTUEV-ABAIWWIYSA-N 0 3 343.383 3.284 40 0 EGABHN O=C(C1CCC1)N1C[C@@H]2CCCCN(CCc3ccc(F)cc3)[C@@H]2C1 ZINC000072330632 216154563 /nfs/dbraw/zinc/15/45/63/216154563.db2.gz BOFPKDAXWDVAJI-AZUAARDMSA-N 0 3 344.474 3.481 40 0 EGABHN Cc1cc2nc([C@H]3CCCN(Cc4cccs4)C3)cc(N)n2n1 ZINC000072339772 216156786 /nfs/dbraw/zinc/15/67/86/216156786.db2.gz LHHSZKHYHTWOEA-ZDUSSCGKSA-N 0 3 327.457 3.061 40 0 EGABHN Fc1ccc(CN2CCC[C@H](c3nccnc3-n3ccnc3)C2)cc1 ZINC000072350500 216162605 /nfs/dbraw/zinc/16/26/05/216162605.db2.gz XVUSYDGHMPNZFY-INIZCTEOSA-N 0 3 337.402 3.181 40 0 EGABHN COc1ccc(CN(CCN(C)C)Cc2cccnc2)c(C)c1C ZINC000022931615 212336544 /nfs/dbraw/zinc/33/65/44/212336544.db2.gz OFBYDTJLUAFPML-UHFFFAOYSA-N 0 3 327.472 3.271 40 0 EGABHN Cc1c[nH]c(-c2nccnc2[C@@H]2CCCN(Cc3cccc(C)n3)C2)n1 ZINC000257232159 244216979 /nfs/dbraw/zinc/21/69/79/244216979.db2.gz GJRDSGRKWVKWQI-MRXNPFEDSA-N 0 3 348.454 3.258 40 0 EGABHN CCC(C)(C)C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000079096437 217191499 /nfs/dbraw/zinc/19/14/99/217191499.db2.gz BOEQVNFNWBFIQE-INIZCTEOSA-N 0 3 332.488 3.439 40 0 EGABHN C[C@@H](NC1(CNC(=O)OC(C)(C)C)CCOCC1)c1ccccc1 ZINC000079098027 217193067 /nfs/dbraw/zinc/19/30/67/217193067.db2.gz CKVCBBVSKDNMJL-OAHLLOKOSA-N 0 3 334.460 3.411 40 0 EGABHN Cc1ccc([C@@H](CNC(=O)NCc2cc(C(C)C)no2)N(C)C)cc1 ZINC000079349510 217212158 /nfs/dbraw/zinc/21/21/58/217212158.db2.gz NFZAIXLGRUABMB-GOSISDBHSA-N 0 3 344.459 3.209 40 0 EGABHN COc1cccc([C@H](O)CN2CCC(O)(c3ccccc3C)CC2)c1 ZINC000012292541 211335385 /nfs/dbraw/zinc/33/53/85/211335385.db2.gz FRYSQBUWQOCPKU-HXUWFJFHSA-N 0 3 341.451 3.021 40 0 EGABHN COc1cc2c(cc1CN1CCC3(CCCNC3=O)CC1)CCCC2 ZINC000012227966 211325559 /nfs/dbraw/zinc/32/55/59/211325559.db2.gz VKYKHAUNQLBKRX-UHFFFAOYSA-N 0 3 342.483 3.066 40 0 EGABHN C[C@H](CCN[C@@H]1CCc2c1cccc2Br)[S@](C)=O ZINC000091398854 218000629 /nfs/dbraw/zinc/00/06/29/218000629.db2.gz LACQNTZIRDSNLO-MAZCYNQFSA-N 0 3 330.291 3.183 40 0 EGABHN OCCNCc1cn(-c2ccccc2)nc1-c1ccccc1Cl ZINC000009644252 211111413 /nfs/dbraw/zinc/11/14/13/211111413.db2.gz CJOUAWLOTDJHSP-UHFFFAOYSA-N 0 3 327.815 3.275 40 0 EGABHN CCOC(=O)CCCN(CCCC(=O)OCC)Cc1ccccc1 ZINC000004975021 210344809 /nfs/dbraw/zinc/34/48/09/210344809.db2.gz RKAUGXGEICSHMN-UHFFFAOYSA-N 0 3 335.444 3.175 40 0 EGABHN OCCO[C@H]1CC2(CCN(Cc3ccncc3)CC2)c2ccccc21 ZINC000096241575 275047610 /nfs/dbraw/zinc/04/76/10/275047610.db2.gz XYKBTGBEYVBJBD-FQEVSTJZSA-N 0 3 338.451 3.069 40 0 EGABHN CC(=O)Nc1ccc(CCNCc2cccc3c2OCCCO3)cc1 ZINC000078411715 275792174 /nfs/dbraw/zinc/79/21/74/275792174.db2.gz APUCKQBPBVZTPD-UHFFFAOYSA-N 0 3 340.423 3.139 40 0 EGABHN CCN1CCC2(CC1)C[C@H](NC(=O)c1ccco1)c1ccccc1O2 ZINC000096242701 276152374 /nfs/dbraw/zinc/15/23/74/276152374.db2.gz QDURDDWWWVWUDT-INIZCTEOSA-N 0 3 340.423 3.388 40 0 EGABHN CC(C)[C@@H](c1nnnn1C1CCCC1)N1CCN(C2CCCC2)CC1 ZINC000019445965 277767349 /nfs/dbraw/zinc/76/73/49/277767349.db2.gz HTTKVNSQFOKVQJ-SFHVURJKSA-N 0 3 346.523 3.046 40 0 EGABHN CN(Cc1nc2ccc(Br)cc2[nH]1)C[C@H]1CCCOC1 ZINC000097099690 323214739 /nfs/dbraw/zinc/21/47/39/323214739.db2.gz BKBOJRUOBCLKKY-LLVKDONJSA-N 0 3 338.249 3.184 40 0 EGABHN Cc1n[nH]cc1[C@@H](C)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000180847547 455255842 /nfs/dbraw/zinc/25/58/42/455255842.db2.gz ZVKMZVYRPYPLMF-FZKQIMNGSA-N 0 3 348.878 3.096 40 0 EGABHN CCN(CC)CCOC(=O)[C@](O)(c1ccccc1)c1cccc(C)c1 ZINC000006382288 452938451 /nfs/dbraw/zinc/93/84/51/452938451.db2.gz GUBYXLPUICAYLX-NRFANRHFSA-N 0 3 341.451 3.116 40 0 EGABHN C[C@H](CN1CCCCC1)NC(=O)c1scnc1-c1ccccc1 ZINC000006443039 452945282 /nfs/dbraw/zinc/94/52/82/452945282.db2.gz UBUZGZJAMIFYKM-CQSZACIVSA-N 0 3 329.469 3.414 40 0 EGABHN Cc1cc(NC(=O)CCN(Cc2cccs2)C[C@H]2CCCO2)no1 ZINC000012979622 453432389 /nfs/dbraw/zinc/43/23/89/453432389.db2.gz FCIWUADNCNEPHS-CQSZACIVSA-N 0 3 349.456 3.054 40 0 EGABHN CC[C@@H]1CCCCN1CC(=O)N1CCC(O)(c2ccccc2C)CC1 ZINC000013996265 453496161 /nfs/dbraw/zinc/49/61/61/453496161.db2.gz PXKFGCBOVWLNJR-GOSISDBHSA-N 0 3 344.499 3.070 40 0 EGABHN CCC[C@@H](C(=O)N[C@@H](C)CN1CCCCCC1)n1nc(C)cc1C ZINC000019501810 453656755 /nfs/dbraw/zinc/65/67/55/453656755.db2.gz TXJCKAAVZNNFFL-WMZOPIPTSA-N 0 3 334.508 3.222 40 0 EGABHN COc1ccc(NCc2n[nH]c([C@H](N)c3ccc(Cl)cc3)n2)cc1 ZINC000095533970 454230502 /nfs/dbraw/zinc/23/05/02/454230502.db2.gz QNIRLSJGCRJBCF-MRXNPFEDSA-N 0 3 343.818 3.127 40 0 EGABHN CNC(=O)C[C@H]1CC2(CCN(Cc3ccoc3)CC2)c2ccccc21 ZINC000096052566 454272789 /nfs/dbraw/zinc/27/27/89/454272789.db2.gz HRZSJHXGBBPRFZ-KRWDZBQOSA-N 0 3 338.451 3.437 40 0 EGABHN Fc1ccc(CN2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1 ZINC000096055153 454274343 /nfs/dbraw/zinc/27/43/43/454274343.db2.gz SKEOIBJYTBPYOI-ICSRJNTNSA-N 0 3 344.405 3.302 40 0 EGABHN COc1ccc2c(c1)C1(CCN(Cc3ccncc3)CC1)N(C)CC2 ZINC000096100218 454282468 /nfs/dbraw/zinc/28/24/68/454282468.db2.gz ALWVFFPUZCWKRD-UHFFFAOYSA-N 0 3 337.467 3.069 40 0 EGABHN Cc1noc(C)c1CN1CCC[C@@]2(CCN(c3ncccc3C)C2)C1 ZINC000096216062 454305319 /nfs/dbraw/zinc/30/53/19/454305319.db2.gz LMDXCONDNIHKSP-HXUWFJFHSA-N 0 3 340.471 3.487 40 0 EGABHN c1ncn2c1CN(CCc1ccccc1)C[C@@H](COc1cccnc1)C2 ZINC000096209344 454305572 /nfs/dbraw/zinc/30/55/72/454305572.db2.gz ZJMGXAZFTVAGDT-LJQANCHMSA-N 0 3 348.450 3.032 40 0 EGABHN Cc1noc(C)c1CN1CCC[C@]2(CCN(c3ncccc3C)C2)C1 ZINC000096216060 454305597 /nfs/dbraw/zinc/30/55/97/454305597.db2.gz LMDXCONDNIHKSP-FQEVSTJZSA-N 0 3 340.471 3.487 40 0 EGABHN CCc1ccc(CN2CC[C@@]3(C2)CCCN(c2ncccn2)C3)o1 ZINC000096216840 454306630 /nfs/dbraw/zinc/30/66/30/454306630.db2.gz NWHMYTIXRGRALT-LJQANCHMSA-N 0 3 326.444 3.125 40 0 EGABHN C[C@H](Sc1ccccn1)C(=O)N1CCC[C@@H](N2CCCCC2)C1 ZINC000096461105 454359609 /nfs/dbraw/zinc/35/96/09/454359609.db2.gz YINHQZOOPVGNOS-JKSUJKDBSA-N 0 3 333.501 3.039 40 0 EGABHN COc1ccc([C@H](C)NC2CCC(O)CC2)c(Br)c1 ZINC000096493330 454369657 /nfs/dbraw/zinc/36/96/57/454369657.db2.gz BXVYCIZDXIMEEE-UNXYVOJBSA-N 0 3 328.250 3.412 40 0 EGABHN COc1ccccc1NC1CCN([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000096493109 454369731 /nfs/dbraw/zinc/36/97/31/454369731.db2.gz VEZRRULFPBLUBW-FPOVZHCZSA-N 0 3 338.451 3.230 40 0 EGABHN CCN1CCC[C@@H]1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000108907048 454815845 /nfs/dbraw/zinc/81/58/45/454815845.db2.gz ADKQBIMUXYEMLN-WCQYABFASA-N 0 3 345.270 3.361 40 0 EGABHN Cn1ccnc1[C@H](N[C@H]1CCN(c2ccc(F)cc2F)C1)C1CC1 ZINC000127672681 454986782 /nfs/dbraw/zinc/98/67/82/454986782.db2.gz HODWCJCACDMFBW-WMLDXEAASA-N 0 3 332.398 3.018 40 0 EGABHN CC[C@@H](NC1CCN(c2ccccc2OC)CC1)c1nccn1C ZINC000182691620 455570019 /nfs/dbraw/zinc/57/00/19/455570019.db2.gz OLTIYYNVJOVGLR-MRXNPFEDSA-N 0 3 328.460 3.138 40 0 EGABHN C[C@H](CN1CCc2nc([C@H]3CCCCN3)ncc2C1)c1ccccc1 ZINC000248168728 455692936 /nfs/dbraw/zinc/69/29/36/455692936.db2.gz QFPMVKDOFNKWCF-OXQOHEQNSA-N 0 3 336.483 3.453 40 0 EGABHN CO[C@@H](CN1CCC(C(=O)N[C@@H](C)C(C)C)CC1)c1ccccc1 ZINC000252491258 455812107 /nfs/dbraw/zinc/81/21/07/455812107.db2.gz LJVKCLCTHLTMOT-LPHOPBHVSA-N 0 3 332.488 3.247 40 0 EGABHN C[C@H]1C[C@H](NC(=O)C[C@@H]2CCCC[C@H]2O)CCN1Cc1ccccc1 ZINC000253418523 455842727 /nfs/dbraw/zinc/84/27/27/455842727.db2.gz SISXWYHCAQGLEF-IJXRJRJASA-N 0 3 344.499 3.097 40 0 EGABHN CC1(C)[C@H]2C[C@@H]1C(COC[C@@H](O)CN1CCc3ccccc3C1)=CC2 ZINC000195541514 455982655 /nfs/dbraw/zinc/98/26/55/455982655.db2.gz DCHBVYQEDRWVSH-QHAWAJNXSA-N 0 3 341.495 3.415 40 0 EGABHN CSc1nnc(NC(=O)c2ccc(CN3CCCCC3)cc2)s1 ZINC000223107326 456053674 /nfs/dbraw/zinc/05/36/74/456053674.db2.gz DZGJQYBMKFELTM-UHFFFAOYSA-N 0 3 348.497 3.498 40 0 EGABHN c1cc(-c2ccc3nc([C@@H]4CCCN(CC5CC5)C4)nn3c2)ccn1 ZINC000306144112 456570157 /nfs/dbraw/zinc/57/01/57/456570157.db2.gz YWISOWQPYCDBDJ-GOSISDBHSA-N 0 3 333.439 3.381 40 0 EGABHN COc1cccc(CN[C@H]2CCC[C@@H](Oc3ccccc3C)[C@@H]2O)c1 ZINC000585288841 459833250 /nfs/dbraw/zinc/83/32/50/459833250.db2.gz KCLAHKJWGBTWCE-CEWLAPEOSA-N 0 3 341.451 3.454 40 0 EGABHN CN(C)C[C@@H]1CSCCCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000090699815 282128854 /nfs/dbraw/zinc/12/88/54/282128854.db2.gz HJRXQJMMYHHZDK-QGZVFWFLSA-N 0 3 334.529 3.493 40 0 EGABHN CNC(=O)CCCN(C)Cc1cc(Br)c(Cl)s1 ZINC000191412221 529852221 /nfs/dbraw/zinc/85/22/21/529852221.db2.gz UBBATJHNWGXMPK-UHFFFAOYSA-N 0 3 339.686 3.122 40 0 EGABHN COc1ccc(NC(=O)N(CCN(C)C)Cc2ccccc2F)cc1 ZINC000040150522 213272820 /nfs/dbraw/zinc/27/28/20/213272820.db2.gz DMQSIPHQLUBOMH-UHFFFAOYSA-N 0 3 345.418 3.430 40 0 EGABHN N[C@@H]1C[C@]2(CCC(=O)N(Cc3ccccc3)CC2)Oc2ccccc21 ZINC000072327736 216152908 /nfs/dbraw/zinc/15/29/08/216152908.db2.gz CMEIMTLPZKIBHJ-WIYYLYMNSA-N 0 3 336.435 3.420 40 0 EGABHN COc1ccc(CN2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)cc1 ZINC000072355483 216165063 /nfs/dbraw/zinc/16/50/63/216165063.db2.gz LBYPOKLLRUJHCZ-KRWDZBQOSA-N 0 3 349.438 3.051 40 0 EGABHN Cc1cc2nc([C@@H]3CCCN(Cc4cccs4)C3)cc(N)n2n1 ZINC000072339771 216157036 /nfs/dbraw/zinc/15/70/36/216157036.db2.gz LHHSZKHYHTWOEA-CYBMUJFWSA-N 0 3 327.457 3.061 40 0 EGABHN CC(C)(C)[C@@H]1CCCC[C@@H]1NCc1csc(CS(C)(=O)=O)n1 ZINC000072605830 216280618 /nfs/dbraw/zinc/28/06/18/216280618.db2.gz DOGAMQSUGDQFJK-KGLIPLIRSA-N 0 3 344.546 3.382 40 0 EGABHN C[C@@H](N[C@@H](C)c1ccc(-c2cncnc2)cc1)C(=O)NC(C)(C)C ZINC000073411633 216383603 /nfs/dbraw/zinc/38/36/03/216383603.db2.gz QSXVXFSKBQSHQW-UONOGXRCSA-N 0 3 326.444 3.097 40 0 EGABHN CN(C)CCN(Cc1cccnc1)Cc1cc2c(cc1Cl)OCO2 ZINC000022931570 212335955 /nfs/dbraw/zinc/33/59/55/212335955.db2.gz FPTRMZIKXIOTKM-UHFFFAOYSA-N 0 3 347.846 3.028 40 0 EGABHN CN(C)C1(CN[C@@H](c2ccccc2)c2ccc(F)cn2)CCOCC1 ZINC000195560655 241009791 /nfs/dbraw/zinc/00/97/91/241009791.db2.gz MNERHGJXGBLMGJ-IBGZPJMESA-N 0 3 343.446 3.011 40 0 EGABHN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)CC1CCCCC1 ZINC000021580952 212233223 /nfs/dbraw/zinc/23/32/23/212233223.db2.gz RWRAQMMRGZSVLI-UHFFFAOYSA-N 0 3 332.444 3.299 40 0 EGABHN O[C@H](CN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)c1ccccc1 ZINC000242196994 243012707 /nfs/dbraw/zinc/01/27/07/243012707.db2.gz XGSSOBXZAQRMTC-HUUCEWRRSA-N 0 3 339.361 3.272 40 0 EGABHN COCCN1CCC[C@@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 ZINC000257247843 244260065 /nfs/dbraw/zinc/26/00/65/244260065.db2.gz JAUUQIVLCQNDFI-OAHLLOKOSA-N 0 3 332.835 3.163 40 0 EGABHN Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)Cc3cccs3)C2)n1 ZINC000257254117 244275931 /nfs/dbraw/zinc/27/59/31/244275931.db2.gz KBRRUBYOFNQKAT-CQSZACIVSA-N 0 3 329.469 3.076 40 0 EGABHN CCOC1CCN(Cc2c3ncccc3[nH]c2C2CCOCC2)CC1 ZINC000019530987 212039988 /nfs/dbraw/zinc/03/99/88/212039988.db2.gz VZXUMYODAOFIGJ-UHFFFAOYSA-N 0 3 343.471 3.458 40 0 EGABHN CC[C@H]1CCCCN1CC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000019500948 212033924 /nfs/dbraw/zinc/03/39/24/212033924.db2.gz GWIKTCAIDIIMEL-MAUKXSAKSA-N 0 3 340.471 3.491 40 0 EGABHN CCC[C@H](C(=O)N[C@@H](C)CN1CCCCCC1)n1nc(C)cc1C ZINC000019501811 212034106 /nfs/dbraw/zinc/03/41/06/212034106.db2.gz TXJCKAAVZNNFFL-FUHWJXTLSA-N 0 3 334.508 3.222 40 0 EGABHN CCC[C@H](C(=O)N[C@H](C)CN1CCCCCC1)n1nc(C)cc1C ZINC000019501813 212033869 /nfs/dbraw/zinc/03/38/69/212033869.db2.gz TXJCKAAVZNNFFL-SJLPKXTDSA-N 0 3 334.508 3.222 40 0 EGABHN C[C@@H](NC/C=C/c1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000078979866 217163932 /nfs/dbraw/zinc/16/39/32/217163932.db2.gz UCHZHHLJMMPEND-JOZWUWCOSA-N 0 3 330.453 3.422 40 0 EGABHN COc1ccccc1/C=C/CN[C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000078979804 217163982 /nfs/dbraw/zinc/16/39/82/217163982.db2.gz ZVIZHZVDORSHBS-HZRUHFOJSA-N 0 3 338.407 3.390 40 0 EGABHN CC(C(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000079351964 217212714 /nfs/dbraw/zinc/21/27/14/217212714.db2.gz VSHIOCBZVJAMIH-XJKSGUPXSA-N 0 3 337.485 3.081 40 0 EGABHN C[C@H](NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nccs1 ZINC000079438483 217224918 /nfs/dbraw/zinc/22/49/18/217224918.db2.gz PMRWGBFRGXOQDE-STQMWFEESA-N 0 3 325.478 3.441 40 0 EGABHN O=C(c1ccccc1F)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000264048730 246014686 /nfs/dbraw/zinc/01/46/86/246014686.db2.gz DOSBOHFBAJTUAN-UHFFFAOYSA-N 0 3 338.426 3.489 40 0 EGABHN O[C@@]1(c2cccnc2)CCC[C@@H]2CN(Cc3cc(F)ccc3F)C[C@@H]21 ZINC000012337142 211350523 /nfs/dbraw/zinc/35/05/23/211350523.db2.gz YHQYVBJFVDONSK-HEFCMCLBSA-N 0 3 344.405 3.480 40 0 EGABHN Cc1[nH]ncc1CN1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000092592168 218152351 /nfs/dbraw/zinc/15/23/51/218152351.db2.gz JISMCYICAIFKHE-OAHLLOKOSA-N 0 3 336.233 3.054 40 0 EGABHN C[C@H](C[C@@H](O)c1ccc(F)cc1)NCc1nc2ccccc2n1C ZINC000095448864 218392967 /nfs/dbraw/zinc/39/29/67/218392967.db2.gz CYNFPYSBPXAGLL-FZKQIMNGSA-N 0 3 327.403 3.314 40 0 EGABHN O=C(c1cnn(CCN2CCCCC2)c1)N1CCC2(C1)CCCCC2 ZINC000096425589 218794651 /nfs/dbraw/zinc/79/46/51/218794651.db2.gz CTGXMUKXZTZUKY-UHFFFAOYSA-N 0 3 344.503 3.165 40 0 EGABHN O=S1(=O)CCC[C@H](NCCCc2ccc(Cl)cc2Cl)C1 ZINC000097230741 219000053 /nfs/dbraw/zinc/00/00/53/219000053.db2.gz FBINPOIFPROPMW-ZDUSSCGKSA-N 0 3 336.284 3.093 40 0 EGABHN CCc1nc(CC(=O)Nc2cnccc2N2CCCCC2)cs1 ZINC000079041038 257835147 /nfs/dbraw/zinc/83/51/47/257835147.db2.gz XSMWRUMQSIBYPT-UHFFFAOYSA-N 0 3 330.457 3.272 40 0 EGABHN CCCC/C=C\[C@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccccc1 ZINC000005954639 452912114 /nfs/dbraw/zinc/91/21/14/452912114.db2.gz JKPUZMZDECKYBD-ZVAVNARXSA-N 0 3 343.467 3.258 40 0 EGABHN CC[C@@H](CO)NCc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000008326348 453191743 /nfs/dbraw/zinc/19/17/43/453191743.db2.gz FUNZQXLZHDFWSY-SFHVURJKSA-N 0 3 329.440 3.443 40 0 EGABHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cnc(C)s1 ZINC000075324468 453879690 /nfs/dbraw/zinc/87/96/90/453879690.db2.gz ZSHYLTVBTPVXQZ-QGZVFWFLSA-N 0 3 343.496 3.436 40 0 EGABHN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCNCC1 ZINC000067799417 453967997 /nfs/dbraw/zinc/96/79/97/453967997.db2.gz TXHKOFPMZMJOAE-UHFFFAOYSA-N 0 3 340.267 3.160 40 0 EGABHN CCOc1ccc(-c2nc([C@@H](N)c3ccccc3)n[nH]2)cc1OCC ZINC000095533493 454230291 /nfs/dbraw/zinc/23/02/91/454230291.db2.gz IYJMYWQKYQZPAT-KRWDZBQOSA-N 0 3 338.411 3.317 40 0 EGABHN c1coc(CN2CC[C@@H]3OCCC[C@]3(COCc3ccncc3)C2)c1 ZINC000096040171 454266179 /nfs/dbraw/zinc/26/61/79/454266179.db2.gz ISHJGZWJLXIHDY-VQTJNVASSA-N 0 3 342.439 3.263 40 0 EGABHN c1coc(CN2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)c1 ZINC000096040220 454267139 /nfs/dbraw/zinc/26/71/39/454267139.db2.gz JJXWLGXJZZLBOO-PMACEKPBSA-N 0 3 342.439 3.263 40 0 EGABHN COc1ccc(N[C@H]2CO[C@]3(CCN(Cc4ccco4)C3)C2)cc1 ZINC000096047598 454269405 /nfs/dbraw/zinc/26/94/05/454269405.db2.gz PLQCHCGIHJJJDF-VQIMIIECSA-N 0 3 328.412 3.134 40 0 EGABHN O=C1N(c2ccsc2)CC[C@@]12CCCN(Cc1ccccn1)C2 ZINC000096048747 454271938 /nfs/dbraw/zinc/27/19/38/454271938.db2.gz YJWNMKOPHNDTMJ-GOSISDBHSA-N 0 3 327.453 3.162 40 0 EGABHN CN(Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1ccoc1)CC2 ZINC000096051577 454272713 /nfs/dbraw/zinc/27/27/13/454272713.db2.gz JETXWKFNGLGHRN-KRWDZBQOSA-N 0 3 328.412 3.389 40 0 EGABHN Cc1ccc(CN2CCOC[C@]3(CCN(Cc4cccs4)C3)C2)o1 ZINC000096062394 454278579 /nfs/dbraw/zinc/27/85/79/454278579.db2.gz FEMXWNQWDHYYPO-IBGZPJMESA-N 0 3 346.496 3.374 40 0 EGABHN Cc1ccsc1CN1CC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC000096107615 454284419 /nfs/dbraw/zinc/28/44/19/454284419.db2.gz UKRMBHVKNPGUOX-HKUYNNGSSA-N 0 3 344.480 3.402 40 0 EGABHN Fc1cccnc1O[C@@H]1COC2(C1)CCN(Cc1ccoc1)CC2 ZINC000096107025 454285138 /nfs/dbraw/zinc/28/51/38/454285138.db2.gz DRJXNFQDXFJQTF-HNNXBMFYSA-N 0 3 332.375 3.016 40 0 EGABHN Cc1ccc(CN2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)s1 ZINC000096184570 454298598 /nfs/dbraw/zinc/29/85/98/454298598.db2.gz XPZPOXFNXXMVIS-CABCVRRESA-N 0 3 333.482 3.002 40 0 EGABHN c1csc(CN2CC[C@@H]3[C@@H](CO[C@H]3Cc3nnc(C4CC4)o3)C2)c1 ZINC000096207604 454304441 /nfs/dbraw/zinc/30/44/41/454304441.db2.gz KGYSYSGSLNPZOH-BMFZPTHFSA-N 0 3 345.468 3.088 40 0 EGABHN Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)CC(C)C)C3)C2)n1 ZINC000096216248 454306194 /nfs/dbraw/zinc/30/61/94/454306194.db2.gz RYYBLPLHAOSELH-HXUWFJFHSA-N 0 3 329.488 3.251 40 0 EGABHN CCC1=N[C@@]2(CC[C@@H]3CN(Cc4ccc(F)cc4)C[C@@H]32)C(=O)N1CC ZINC000096261603 454314237 /nfs/dbraw/zinc/31/42/37/454314237.db2.gz GFYBDEPHAYFLIA-OXFYSEKESA-N 0 3 343.446 3.077 40 0 EGABHN Cc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ncccc2C)C3)cc1 ZINC000096296311 454317385 /nfs/dbraw/zinc/31/73/85/454317385.db2.gz MLCWPJBEHQZVRT-SFHVURJKSA-N 0 3 348.450 3.251 40 0 biogenic,in-vitro EGABHN CCn1cc(NC(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)cn1 ZINC000096403997 454322179 /nfs/dbraw/zinc/32/21/79/454322179.db2.gz YAINFJHKIWUDKJ-AWEZNQCLSA-N 0 3 329.448 3.154 40 0 EGABHN CC[C@](O)(CNCc1ccncc1)c1ccc(Br)cc1 ZINC000096473212 454361920 /nfs/dbraw/zinc/36/19/20/454361920.db2.gz MCQSXNUEOMAOBJ-INIZCTEOSA-N 0 3 335.245 3.232 40 0 EGABHN Cc1ccc(CN2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)o1 ZINC000107746893 454772335 /nfs/dbraw/zinc/77/23/35/454772335.db2.gz JJGSEOORIJZVGU-APWZRJJASA-N 0 3 330.403 3.065 40 0 EGABHN C[C@H](NC(=O)N1CCC[C@H]2CN(C)CC[C@H]21)c1cccc(F)c1F ZINC000245927711 455401199 /nfs/dbraw/zinc/40/11/99/455401199.db2.gz HWQMXLNTAGFVEC-HEHGZKQESA-N 0 3 337.414 3.152 40 0 EGABHN C[C@@H](CN1CCc2nc([C@H]3CCCCN3)ncc2C1)c1ccccc1 ZINC000248168725 455692832 /nfs/dbraw/zinc/69/28/32/455692832.db2.gz QFPMVKDOFNKWCF-OXJNMPFZSA-N 0 3 336.483 3.453 40 0 EGABHN Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3cc(C(C)C)no3)C2)n1 ZINC000257289784 455884169 /nfs/dbraw/zinc/88/41/69/455884169.db2.gz QADXNNSOKBIFOF-AWEZNQCLSA-N 0 3 342.443 3.197 40 0 EGABHN Cc1cn(C)c([C@H]2CCN(Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257295544 455885134 /nfs/dbraw/zinc/88/51/34/455885134.db2.gz QYTUMFOKOXCJPO-ZDUSSCGKSA-N 0 3 327.457 3.170 40 0 EGABHN COC1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCCC1 ZINC000225625814 456098373 /nfs/dbraw/zinc/09/83/73/456098373.db2.gz XNKCOEDUBCZQBX-UHFFFAOYSA-N 0 3 332.444 3.059 40 0 EGABHN Cc1occc1CN(C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245638726 526820407 /nfs/dbraw/zinc/82/04/07/526820407.db2.gz KASYQRUZOWDAJO-ROUUACIJSA-N 0 3 327.428 3.175 40 0 EGABHN CC(C)[C@@H]1COC(=O)N1c1cncc(C2CCN(C(C)C)CC2)n1 ZINC000257232333 535264234 /nfs/dbraw/zinc/26/42/34/535264234.db2.gz GKLGOKLMXUGXNJ-INIZCTEOSA-N 0 3 332.448 3.046 40 0 EGABHN CN(C)CCOc1ccc(NC(=O)C(C)(C)Cc2ccccc2)cn1 ZINC000225942575 535907779 /nfs/dbraw/zinc/90/77/79/535907779.db2.gz MHVNFIVBKNDAOJ-UHFFFAOYSA-N 0 3 341.455 3.229 40 0 EGABHN Cc1ccc2c(n1)-n1cncc1C1(CCN(Cc3ccccc3)CC1)N2 ZINC000306123027 547459583 /nfs/dbraw/zinc/45/95/83/547459583.db2.gz ACRJRTXILBJXKQ-UHFFFAOYSA-N 0 3 345.450 3.493 40 0 EGABHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1nnc(C2CCCCC2)o1 ZINC000036652101 213107730 /nfs/dbraw/zinc/10/77/30/213107730.db2.gz UIRLZVUAIUTUEV-NHYWBVRUSA-N 0 3 343.383 3.284 40 0 EGABHN Cc1n[nH]c(C)c1NC(=O)CCc1cc(C)nc([C@H]2CCCN2C)c1 ZINC000072366902 216172546 /nfs/dbraw/zinc/17/25/46/216172546.db2.gz VELDVJGYBGARMP-QGZVFWFLSA-N 0 3 341.459 3.068 40 0 EGABHN CN(C)Cc1ccc(C(N)=O)cc1N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129540966 223067333 /nfs/dbraw/zinc/06/73/33/223067333.db2.gz QUIFLAZPYQRXLI-KBPBESRZSA-N 0 3 343.393 3.380 40 0 EGABHN O=c1cc(C2CC[NH+](Cc3ccncc3)CC2)nc(-c2ccncc2)[n-]1 ZINC000072392703 216191163 /nfs/dbraw/zinc/19/11/63/216191163.db2.gz YHJQKCVCRKUNIC-UHFFFAOYSA-N 0 3 347.422 3.019 40 0 EGABHN O=C([C@H]1CCCN(Cc2ccccc2)C1)N1CCOc2ccccc21 ZINC000225901518 242075289 /nfs/dbraw/zinc/07/52/89/242075289.db2.gz HXVKLQZOXXBQPL-SFHVURJKSA-N 0 3 336.435 3.324 40 0 EGABHN c1ccc(C[N@@H+]2CCC[C@@H](c3ccnc([N-]c4cnccn4)n3)C2)cc1 ZINC000257209713 244146327 /nfs/dbraw/zinc/14/63/27/244146327.db2.gz BRPGTPNCEMQONR-QGZVFWFLSA-N 0 3 346.438 3.390 40 0 EGABHN c1ccc(C[N@H+]2CCC[C@@H](c3ccnc([N-]c4cnccn4)n3)C2)cc1 ZINC000257209713 244146333 /nfs/dbraw/zinc/14/63/33/244146333.db2.gz BRPGTPNCEMQONR-QGZVFWFLSA-N 0 3 346.438 3.390 40 0 EGABHN COc1ccc(-c2ncc(CN(C)CCN3CCCCC3)cn2)cc1 ZINC000019586097 212047353 /nfs/dbraw/zinc/04/73/53/212047353.db2.gz LIXRLJYHTGAMFK-UHFFFAOYSA-N 0 3 340.471 3.070 40 0 EGABHN O=C1CCC[C@]2(CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)N1 ZINC000019372602 212022365 /nfs/dbraw/zinc/02/23/65/212022365.db2.gz RWYGDVGFPCVSEV-PZJWPPBQSA-N 0 3 338.426 3.464 40 0 EGABHN OCC[C@@H]1CCCCN1Cc1ccc(OCc2ccccn2)cc1 ZINC000078776839 217120697 /nfs/dbraw/zinc/12/06/97/217120697.db2.gz QRQNJXFZIQHWDD-IBGZPJMESA-N 0 3 326.440 3.398 40 0 EGABHN C[C@@H](NC1(CNC(=O)c2cccs2)CCOCC1)c1ccccc1 ZINC000079096186 217191520 /nfs/dbraw/zinc/19/15/20/217191520.db2.gz PVOJYUQUZXPWBR-OAHLLOKOSA-N 0 3 344.480 3.378 40 0 EGABHN Cc1ccsc1CN(CCCO)Cc1cc2c(cc1C)OCO2 ZINC000012291853 211335438 /nfs/dbraw/zinc/33/54/38/211335438.db2.gz JPGTZGHUKDIDCU-UHFFFAOYSA-N 0 3 333.453 3.478 40 0 EGABHN Cc1cc2ncc([C@H](C)NCCc3cn4cccc(C)c4n3)c(C)n2n1 ZINC000091732159 218054503 /nfs/dbraw/zinc/05/45/03/218054503.db2.gz BZGYYMSZAIMLFW-HNNXBMFYSA-N 0 3 348.454 3.196 40 0 EGABHN c1cc(CN2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)co1 ZINC000306140510 257924006 /nfs/dbraw/zinc/92/40/06/257924006.db2.gz UVXAXFZRNSPOCV-GOSISDBHSA-N 0 3 345.406 3.374 40 0 EGABHN Cc1ccc2c(c1)CN(Cc1ccccc1F)[C@H](CN(C)C)CO2 ZINC000019219393 292326533 /nfs/dbraw/zinc/32/65/33/292326533.db2.gz HQIDLEBINIUMAI-GOSISDBHSA-N 0 3 328.431 3.459 40 0 EGABHN CC(C)C(=O)N1CCCc2cc([C@H](O)CN3CCC(C)CC3)ccc21 ZINC000012291380 277331432 /nfs/dbraw/zinc/33/14/32/277331432.db2.gz XOKPAXGBPNNSFB-HXUWFJFHSA-N 0 3 344.499 3.387 40 0 EGABHN C[C@@H](c1ccccc1)N1CCC(N2C(=O)N3CCC[C@]3(C)C2=O)CC1 ZINC000253630255 278419356 /nfs/dbraw/zinc/41/93/56/278419356.db2.gz QPJUITBSPGLSNS-MGPUTAFESA-N 0 3 341.455 3.029 40 0 EGABHN Nc1ccc(C(=O)O[C@@H](CCN2CCCCC2)C(F)(F)F)cc1 ZINC000001688811 452673885 /nfs/dbraw/zinc/67/38/85/452673885.db2.gz FHAVNJLDAXWUSZ-AWEZNQCLSA-N 0 3 330.350 3.233 40 0 EGABHN CC[C@@H](CO)NCc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000008326344 453191701 /nfs/dbraw/zinc/19/17/01/453191701.db2.gz PGZDGEWXDHBFAJ-SFHVURJKSA-N 0 3 329.440 3.443 40 0 EGABHN O=C1NC[C@H]([C@@H]2CCCN(Cc3ccccc3)C2)Oc2ccccc21 ZINC000019371934 453656482 /nfs/dbraw/zinc/65/64/82/453656482.db2.gz GGNONQJFXASSTJ-YLJYHZDGSA-N 0 3 336.435 3.090 40 0 EGABHN CCOc1ccc(-c2nc([C@H](N)c3ccc(C)cc3)n[nH]2)cc1OC ZINC000095534202 454230601 /nfs/dbraw/zinc/23/06/01/454230601.db2.gz FYSVXQNIEYJXAI-QGZVFWFLSA-N 0 3 338.411 3.236 40 0 EGABHN [NH3+][C@@H](Cc1ccccc1)c1nnc(-c2ccc(Br)o2)[n-]1 ZINC000095534920 454230897 /nfs/dbraw/zinc/23/08/97/454230897.db2.gz YSTOKKHTJCYJGB-JTQLQIEISA-N 0 3 333.189 3.070 40 0 EGABHN N[C@@H](Cc1ccccc1)c1nc(-c2ccc(Br)o2)n[nH]1 ZINC000095534920 454230902 /nfs/dbraw/zinc/23/09/02/454230902.db2.gz YSTOKKHTJCYJGB-JTQLQIEISA-N 0 3 333.189 3.070 40 0 EGABHN C[C@@H](C(=O)N1CCCCC1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000071953244 454262003 /nfs/dbraw/zinc/26/20/03/454262003.db2.gz LNZKIZPKVKUALH-INIZCTEOSA-N 0 3 332.463 3.481 40 0 EGABHN Cc1ccc(CN2C[C@@H](OCc3ccccn3)[C@H]3OCCC[C@H]32)s1 ZINC000096042538 454268243 /nfs/dbraw/zinc/26/82/43/454268243.db2.gz WEQBCFXQPDDEFY-QRVBRYPASA-N 0 3 344.480 3.400 40 0 EGABHN O=C(c1cscn1)N1CCC2(C1)CCN(Cc1cccs1)CC2 ZINC000096046536 454270443 /nfs/dbraw/zinc/27/04/43/454270443.db2.gz OUFSLPOZSGOPDN-UHFFFAOYSA-N 0 3 347.509 3.333 40 0 EGABHN Cc1ccc(CN2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)o1 ZINC000096047874 454271802 /nfs/dbraw/zinc/27/18/02/454271802.db2.gz GDBWZUOAYRHXEX-IBGZPJMESA-N 0 3 342.439 3.323 40 0 EGABHN Cc1ccc(N[C@@H]2CO[C@]3(C2)CCCN(Cc2ccsc2)C3)nn1 ZINC000096048445 454271815 /nfs/dbraw/zinc/27/18/15/454271815.db2.gz XKXNPPZXEKWQKL-WMZOPIPTSA-N 0 3 344.484 3.082 40 0 EGABHN Cc1ccc(N[C@@H]2CO[C@]3(C2)CCCN(Cc2cccs2)C3)nn1 ZINC000096048437 454271832 /nfs/dbraw/zinc/27/18/32/454271832.db2.gz AWXCJRFHAIIYDH-YJBOKZPZSA-N 0 3 344.484 3.082 40 0 EGABHN c1csc(CN2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)c1 ZINC000096047885 454271946 /nfs/dbraw/zinc/27/19/46/454271946.db2.gz ALKZDFVDCKJXCM-INIZCTEOSA-N 0 3 330.453 3.346 40 0 EGABHN Cc1ccc(CN2CCC[C@]3(C2)COCCN(c2cccnc2)C3)o1 ZINC000096049549 454272857 /nfs/dbraw/zinc/27/28/57/454272857.db2.gz SIVDRQLYCSDWJU-HXUWFJFHSA-N 0 3 341.455 3.102 40 0 EGABHN O=C(Nc1ccccc1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096090680 454281244 /nfs/dbraw/zinc/28/12/44/454281244.db2.gz ZNBFXUDSUUKNJS-IAGOWNOFSA-N 0 3 339.414 3.421 40 0 EGABHN c1cc(CN2CC[C@H]3OCC[C@@]3(COc3cccnc3)C2)cs1 ZINC000096111169 454287327 /nfs/dbraw/zinc/28/73/27/454287327.db2.gz ITVIPCDVVRJPEW-MSOLQXFVSA-N 0 3 330.453 3.203 40 0 EGABHN C[C@@H]1CN2CCC[C@H]2CN1Cc1coc2ccc(Cl)cc2c1=O ZINC000072324641 454294397 /nfs/dbraw/zinc/29/43/97/454294397.db2.gz CLYIEFQKKICHAM-DOMZBBRYSA-N 0 3 332.831 3.115 40 0 EGABHN O=C1C[C@@H](c2ccccc2)C2(CCN(Cc3cccs3)CC2)N1 ZINC000096199579 454302992 /nfs/dbraw/zinc/30/29/92/454302992.db2.gz NMZIDTQDQVYXCI-KRWDZBQOSA-N 0 3 326.465 3.386 40 0 EGABHN CC(C)C(=O)NC[C@H]1CCC[C@]2(CCN(Cc3cccc(F)c3)C2)O1 ZINC000096218155 454306594 /nfs/dbraw/zinc/30/65/94/454306594.db2.gz BCLQWGCJTWPVEC-UYAOXDASSA-N 0 3 348.462 3.112 40 0 EGABHN Fc1cccc(CN2CC[C@]3(C2)CCCN(c2ncccn2)C3)c1 ZINC000096216928 454307441 /nfs/dbraw/zinc/30/74/41/454307441.db2.gz YOEIYCGQGADOPN-IBGZPJMESA-N 0 3 326.419 3.108 40 0 EGABHN c1cc(CN2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)co1 ZINC000096216331 454307934 /nfs/dbraw/zinc/30/79/34/454307934.db2.gz HERXTPPAFNNREE-GOSISDBHSA-N 0 3 342.439 3.372 40 0 EGABHN O=C1CCC2(CCN(Cc3ccsc3)CC2)N1Cc1cccnc1 ZINC000096228152 454309151 /nfs/dbraw/zinc/30/91/51/454309151.db2.gz WFQBAZLEQCUENV-UHFFFAOYSA-N 0 3 341.480 3.300 40 0 EGABHN COc1ccc([C@H](C)NC[C@H]2Cc3ccccc3O2)cc1NC(C)=O ZINC000096476516 454362767 /nfs/dbraw/zinc/36/27/67/454362767.db2.gz XBMUGDYQLUDHJJ-SUMWQHHRSA-N 0 3 340.423 3.308 40 0 EGABHN COC[C@@H](NC1CCN(c2nc(C)cs2)CC1)c1ccc(C)o1 ZINC000096478903 454364395 /nfs/dbraw/zinc/36/43/95/454364395.db2.gz XIFICOMVPRCBMH-OAHLLOKOSA-N 0 3 335.473 3.299 40 0 EGABHN O=C(Nc1ccc(NC2CCOCC2)cc1)[C@H](C1CC1)N1CCCC1 ZINC000097376440 454434842 /nfs/dbraw/zinc/43/48/42/454434842.db2.gz KNDUPSBQAJNUMA-IBGZPJMESA-N 0 3 343.471 3.090 40 0 EGABHN COc1cccc(CN2CC[C@H](c3nnc(-c4ccco4)o3)C2)c1 ZINC000049169499 454537543 /nfs/dbraw/zinc/53/75/43/454537543.db2.gz KQZDQCLBHDFCLE-AWEZNQCLSA-N 0 3 325.368 3.328 40 0 biogenic,in-vitro EGABHN O=c1[nH]c2ccccc2cc1CNC[C@H](c1ccco1)N1CCCC1 ZINC000074335178 454567242 /nfs/dbraw/zinc/56/72/42/454567242.db2.gz UCJAYCXXTWQRQR-GOSISDBHSA-N 0 3 337.423 3.048 40 0 EGABHN c1coc(CN2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)c1 ZINC000107712384 454769939 /nfs/dbraw/zinc/76/99/39/454769939.db2.gz ISHJGZWJLXIHDY-UXHICEINSA-N 0 3 342.439 3.263 40 0 EGABHN C[C@H](NC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21)c1cccc(F)c1F ZINC000245927716 455401657 /nfs/dbraw/zinc/40/16/57/455401657.db2.gz HWQMXLNTAGFVEC-WOSRLPQWSA-N 0 3 337.414 3.152 40 0 EGABHN CNc1cc(C)nc([C@@H]2CN(C(=O)c3cccc(Cl)c3)CCO2)c1 ZINC000257302551 455886453 /nfs/dbraw/zinc/88/64/53/455886453.db2.gz SDIWHEBAPFKXAT-KRWDZBQOSA-N 0 3 345.830 3.299 40 0 EGABHN c1csc(-c2n[nH]cc2CN2CCC[C@H](c3ccncn3)C2)c1 ZINC000257329903 455893336 /nfs/dbraw/zinc/89/33/36/455893336.db2.gz XLYWZJSMGCWQMG-ZDUSSCGKSA-N 0 3 325.441 3.308 40 0 EGABHN CN(Cc1ccc(OCCF)cc1)C[C@@H](O)COC1CCCCC1 ZINC000257340317 455895630 /nfs/dbraw/zinc/89/56/30/455895630.db2.gz ZFLZHECZQCJKTK-QGZVFWFLSA-N 0 3 339.451 3.177 40 0 EGABHN CC(C)C[C@H](N)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000195554552 455983385 /nfs/dbraw/zinc/98/33/85/455983385.db2.gz BPVBYCUINWINEF-MNOVXSKESA-N 0 3 349.422 3.241 40 0 EGABHN O=C(Nc1cnc2c(c1)CNCC2)c1cccc(C(F)(F)F)c1F ZINC000195549167 455984339 /nfs/dbraw/zinc/98/43/39/455984339.db2.gz OCGLAKHRIWUCDQ-UHFFFAOYSA-N 0 3 339.292 3.138 40 0 EGABHN CO[C@@](C)(C(=O)Nc1ccc(OCCN2CCCCC2)cc1)C1CC1 ZINC000225643584 456100620 /nfs/dbraw/zinc/10/06/20/456100620.db2.gz MSLBTDXIAQYLTG-HXUWFJFHSA-N 0 3 346.471 3.305 40 0 EGABHN CCOCC[C@H]1CCOC12CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000585103816 459824324 /nfs/dbraw/zinc/82/43/24/459824324.db2.gz DBQOLPWKOTUVTP-KRWDZBQOSA-N 0 3 347.455 3.213 40 0 EGABHN CCc1nc(C)c(CN2CC[C@@H](OC)[C@H](Cc3ccccc3)C2)[nH]1 ZINC000585279516 459832251 /nfs/dbraw/zinc/83/22/51/459832251.db2.gz ZIKDTIARMWSLSN-IEBWSBKVSA-N 0 3 327.472 3.360 40 0 EGABHN O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1NCc1ccccn1 ZINC000585289920 459833096 /nfs/dbraw/zinc/83/30/96/459833096.db2.gz XQFTUKYZOPPVGM-RCCFBDPRSA-N 0 3 332.831 3.186 40 0 EGABHN Cc1ccc(C)c2[nH]c(=O)c(CN[C@H](CO)Cc3ccccc3)cc12 ZINC000585292815 459834435 /nfs/dbraw/zinc/83/44/35/459834435.db2.gz AVMPPUDTZFPUKH-SFHVURJKSA-N 0 3 336.435 3.250 40 0 EGABHN COc1cccc(-c2c[nH]nc2[C@H]2CCCN2C2CCOCC2)c1 ZINC000257230959 537062176 /nfs/dbraw/zinc/06/21/76/537062176.db2.gz GEPPEOCXQJQWBV-GOSISDBHSA-N 0 3 327.428 3.401 40 0 EGABHN CN(C)C[C@@H]1CCCCN1C(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 ZINC000019082425 282118823 /nfs/dbraw/zinc/11/88/23/282118823.db2.gz NDTCEBAFKYOHDQ-CABCVRRESA-N 0 3 347.503 3.382 40 0 EGABHN Cc1cc(C)c(C)c(OC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000004305231 210164588 /nfs/dbraw/zinc/16/45/88/210164588.db2.gz NSUPENCYWPKROY-HXUWFJFHSA-N 0 3 325.452 3.410 40 0 EGABHN COc1cccc(CN2CCCC[C@H]3CN(C(=O)C4CCC4)C[C@H]32)c1 ZINC000072330631 216154514 /nfs/dbraw/zinc/15/45/14/216154514.db2.gz NACMAXHHDCFCAE-AZUAARDMSA-N 0 3 342.483 3.308 40 0 EGABHN Clc1ccccc1CN1CCC[C@H](c2[nH]nc3nccnc32)C1 ZINC000072393828 216192320 /nfs/dbraw/zinc/19/23/20/216192320.db2.gz QVMLEOXPOLELDG-ZDUSSCGKSA-N 0 3 327.819 3.386 40 0 EGABHN CNc1cc(C)nc([C@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)c1 ZINC000257219535 244177588 /nfs/dbraw/zinc/17/75/88/244177588.db2.gz DHDAWPGJVPJIGD-CSHXORCISA-N 0 3 337.423 3.045 40 0 EGABHN CNC(=O)c1sc2nc([C@]3(C)CCCN(C(C)C)C3)ccc2c1N ZINC000257208162 244140560 /nfs/dbraw/zinc/14/05/60/244140560.db2.gz BLADLXLYAKQVKI-GOSISDBHSA-N 0 3 346.500 3.000 40 0 EGABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)c3sc(C)nc3C)C2)c1 ZINC000257223987 244194230 /nfs/dbraw/zinc/19/42/30/244194230.db2.gz DZUFCXZIQHZVFL-CYBMUJFWSA-N 0 3 330.457 3.135 40 0 EGABHN Fc1cc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)ccc1Cl ZINC000019292966 212013506 /nfs/dbraw/zinc/01/35/06/212013506.db2.gz FJSCAODYPPIGML-KRWDZBQOSA-N 0 3 346.837 3.252 40 0 EGABHN Fc1cccc(CN2C[C@H]3CCc4nnc(-c5cccnc5)n4[C@H]3C2)c1 ZINC000019293910 212013191 /nfs/dbraw/zinc/01/31/91/212013191.db2.gz QAICJWAMQPSBSM-AEFFLSMTSA-N 0 3 349.413 3.099 40 0 EGABHN CCn1nc(C)c(CNC2CCN(c3ccc(F)cc3)CC2)c1C ZINC000078552342 217073585 /nfs/dbraw/zinc/07/35/85/217073585.db2.gz BGGVXTWUUSTZSG-UHFFFAOYSA-N 0 3 330.451 3.418 40 0 EGABHN CCC(CC)C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000079096445 217191277 /nfs/dbraw/zinc/19/12/77/217191277.db2.gz MTMPIAZJOYPPDE-INIZCTEOSA-N 0 3 332.488 3.439 40 0 EGABHN CC(C)=CCN1CCC(NC(=O)C[C@H]2OCCc3ccccc32)CC1 ZINC000079361780 217216138 /nfs/dbraw/zinc/21/61/38/217216138.db2.gz QYYXHCZIWRATGQ-HXUWFJFHSA-N 0 3 342.483 3.237 40 0 EGABHN Cc1cnc(-c2nc(C3CCN(Cc4ccsc4)CC3)no2)cn1 ZINC000012337369 211351078 /nfs/dbraw/zinc/35/10/78/211351078.db2.gz XEERSQZZYXGSQU-UHFFFAOYSA-N 0 3 341.440 3.276 40 0 EGABHN Cc1nc2c(c(=O)[n-]1)C[N@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012185043 211312118 /nfs/dbraw/zinc/31/21/18/211312118.db2.gz GZJHBYMSSLYDFO-UHFFFAOYSA-N 0 3 331.419 3.304 40 0 EGABHN Cc1nc2c(c(=O)[n-]1)C[N@@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012185043 211312122 /nfs/dbraw/zinc/31/21/22/211312122.db2.gz GZJHBYMSSLYDFO-UHFFFAOYSA-N 0 3 331.419 3.304 40 0 EGABHN CN(C)CCNc1ncc(-c2ccncc2)c(-c2cccs2)n1 ZINC000012222346 211323630 /nfs/dbraw/zinc/32/36/30/211323630.db2.gz LECPKHIQDOBLMP-UHFFFAOYSA-N 0 3 325.441 3.241 40 0 EGABHN Cc1ccc(NC(=O)N2Cc3ccccc3C2)c(OCCN(C)C)c1 ZINC000095399559 218332732 /nfs/dbraw/zinc/33/27/32/218332732.db2.gz FTVHCHLBLUWIKQ-UHFFFAOYSA-N 0 3 339.439 3.483 40 0 EGABHN CC[C@@H](CO)NCc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000008326350 210936122 /nfs/dbraw/zinc/93/61/22/210936122.db2.gz PUYTZHMEXBMUCK-INIZCTEOSA-N 0 3 333.403 3.274 40 0 EGABHN Cc1ccc(CNC[C@@H]2Cn3nnc(-c4ccccc4)c3CO2)s1 ZINC000096061082 218554260 /nfs/dbraw/zinc/55/42/60/218554260.db2.gz NARKWVFMKONBLD-OAHLLOKOSA-N 0 3 340.452 3.004 40 0 EGABHN CC(C)(CN[C@@H](c1ccncc1)c1ccc(F)cc1)N1CCOCC1 ZINC000183297108 455273271 /nfs/dbraw/zinc/27/32/71/455273271.db2.gz BUQZZGCFJBQUBQ-LJQANCHMSA-N 0 3 343.446 3.011 40 0 EGABHN Cc1cc2c(nc(N3CCNCC3)nc2-c2ccccc2F)s1 ZINC000000004901 452491596 /nfs/dbraw/zinc/49/15/96/452491596.db2.gz FVIVKIGLBDRWNR-UHFFFAOYSA-N 0 3 328.416 3.215 40 0 investigational EGABHN Nc1ccc(C(=O)O[C@H](CCN2CCCCC2)C(F)(F)F)cc1 ZINC000002044392 452684682 /nfs/dbraw/zinc/68/46/82/452684682.db2.gz FHAVNJLDAXWUSZ-CQSZACIVSA-N 0 3 330.350 3.233 40 0 EGABHN COc1cc(CC[C@H]2c3cc(O)c(OC)cc3CCN2C)ccc1O ZINC000003847475 452785168 /nfs/dbraw/zinc/78/51/68/452785168.db2.gz SQOGYRBPCGNZFV-INIZCTEOSA-N 0 3 343.423 3.277 40 0 EGABHN CCCN1C[C@H](C[S@](C)=O)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000005834050 452905268 /nfs/dbraw/zinc/90/52/68/452905268.db2.gz WOIHSNDTPKFAJW-APQAJVFDSA-N 0 3 330.497 3.287 40 0 EGABHN CC(C)COc1ccccc1CN1CC[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019713210 453658336 /nfs/dbraw/zinc/65/83/36/453658336.db2.gz ORESHKIEYHVPRH-ZWKOTPCHSA-N 0 3 330.472 3.355 40 0 EGABHN CCCCN(CC(=O)Nc1cccc(C(=O)N(C)C)c1)[C@H](C)CC ZINC000026650608 453803573 /nfs/dbraw/zinc/80/35/73/453803573.db2.gz RQJGONUMUVXSCF-OAHLLOKOSA-N 0 3 333.476 3.228 40 0 EGABHN Cc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1 ZINC000031075280 453846042 /nfs/dbraw/zinc/84/60/42/453846042.db2.gz XDSJRKSNAXFRLS-UHFFFAOYSA-N 0 3 344.480 3.069 40 0 EGABHN Cc1noc(C)c1CN1CC[C@H]2OCCC[C@]2(COCC2CCC2)C1 ZINC000096040286 454266846 /nfs/dbraw/zinc/26/68/46/454266846.db2.gz DGJMIOUXNXTKSN-WOJBJXKFSA-N 0 3 348.487 3.479 40 0 EGABHN Cc1ccc(CN2CCC3(CCN(C(=O)c4cscn4)C3)CC2)o1 ZINC000096046540 454269901 /nfs/dbraw/zinc/26/99/01/454269901.db2.gz AYJHNNBYENPSML-UHFFFAOYSA-N 0 3 345.468 3.173 40 0 EGABHN Cn1cc([C@@H]2COC3(C2)CCN(Cc2ccc(F)cc2)CC3)cn1 ZINC000096047799 454270973 /nfs/dbraw/zinc/27/09/73/454270973.db2.gz PHDRPUPDDQNVJR-INIZCTEOSA-N 0 3 329.419 3.098 40 0 EGABHN O=C1N(c2ccsc2)CC[C@]12CCCN(Cc1cccnc1)C2 ZINC000096048748 454271665 /nfs/dbraw/zinc/27/16/65/454271665.db2.gz MGMOLEYSAQIFTR-SFHVURJKSA-N 0 3 327.453 3.162 40 0 EGABHN c1csc(CN2C[C@@H](OCc3ccncc3)[C@@H]3OCCC[C@@H]32)c1 ZINC000096058127 454276200 /nfs/dbraw/zinc/27/62/00/454276200.db2.gz XHCCASSEDVVPHM-RCCFBDPRSA-N 0 3 330.453 3.092 40 0 EGABHN O=C1C[C@H](c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)N1 ZINC000096061417 454276259 /nfs/dbraw/zinc/27/62/59/454276259.db2.gz HLCJHXWYQKFIHZ-LJQANCHMSA-N 0 3 338.426 3.464 40 0 EGABHN COc1ccc2nc(CO[C@H]3CN(CCC(C)C)C[C@H]3F)[nH]c2c1 ZINC000096112264 454287658 /nfs/dbraw/zinc/28/76/58/454287658.db2.gz VGGSPHRGAYZHCB-PBHICJAKSA-N 0 3 335.423 3.157 40 0 biogenic,in-vitro EGABHN Cc1ncsc1CN1CCC2(CO[C@@H](COCC3CC3)C2)CC1 ZINC000096208585 454305392 /nfs/dbraw/zinc/30/53/92/454305392.db2.gz KIHXYHORCFKSKI-MRXNPFEDSA-N 0 3 336.501 3.249 40 0 EGABHN Cc1nc(CN2CC[C@]3(CCCN(Cc4ccoc4)C3)C2=O)cs1 ZINC000096224370 454309509 /nfs/dbraw/zinc/30/95/09/454309509.db2.gz QGJANOZGHWRSTP-SFHVURJKSA-N 0 3 345.468 3.059 40 0 EGABHN O=C(c1cscn1)N1C[C@H]2CN(Cc3cccc(Cl)c3)C[C@H]2C1 ZINC000096245483 454311217 /nfs/dbraw/zinc/31/12/17/454311217.db2.gz PEXMFTUKJOGULG-OKILXGFUSA-N 0 3 347.871 3.001 40 0 EGABHN Cc1noc(C)c1CN1CCc2[nH]nc(-c3ccc(F)cc3)c2CC1 ZINC000096254389 454313007 /nfs/dbraw/zinc/31/30/07/454313007.db2.gz HSDHKGSGMXOZSK-UHFFFAOYSA-N 0 3 340.402 3.421 40 0 EGABHN CCC1=N[C@@]2(CC[C@@H]3CN(Cc4ccccc4F)C[C@@H]32)C(=O)N1CC ZINC000096261615 454314073 /nfs/dbraw/zinc/31/40/73/454314073.db2.gz SUQWJODGICREMH-PTSWNOGYSA-N 0 3 343.446 3.077 40 0 EGABHN C[C@H](c1ccccc1)N1CCC(NC(=O)/C=C/c2cscn2)CC1 ZINC000096407281 454325067 /nfs/dbraw/zinc/32/50/67/454325067.db2.gz RLJSSLDSJKSRPD-MVGZEHJDSA-N 0 3 341.480 3.498 40 0 EGABHN CSC[C@@H]1CCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000096437301 454348435 /nfs/dbraw/zinc/34/84/35/454348435.db2.gz QJLKYAZAUWLLPX-CYBMUJFWSA-N 0 3 332.469 3.320 40 0 EGABHN C[C@H](CN[C@H]1CCCC[C@@H]1S(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000096491678 454368814 /nfs/dbraw/zinc/36/88/14/454368814.db2.gz IDJKISDLUCAMFQ-RLCCDNCMSA-N 0 3 331.428 3.014 40 0 EGABHN Cc1n[nH]cc1[C@H](C)NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000097233875 454429061 /nfs/dbraw/zinc/42/90/61/454429061.db2.gz SEQQJUWCRNUFSG-SCLBCKFNSA-N 0 3 348.878 3.096 40 0 EGABHN FC(F)(F)c1ccc(N2CCC(NCc3cncs3)CC2)nc1 ZINC000135882856 454707153 /nfs/dbraw/zinc/70/71/53/454707153.db2.gz KFRJHVYYJBQXHL-UHFFFAOYSA-N 0 3 342.390 3.316 40 0 EGABHN CN(C)Cc1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000109052505 454820357 /nfs/dbraw/zinc/82/03/57/454820357.db2.gz VOIHWIQUQPEJFC-INIZCTEOSA-N 0 3 329.469 3.225 40 0 EGABHN CN1CCC[C@H](CNC(=O)Nc2nccs2)[C@H]1c1cccs1 ZINC000110633418 454850352 /nfs/dbraw/zinc/85/03/52/454850352.db2.gz AKUGBXNTCMXDRE-YPMHNXCESA-N 0 3 336.486 3.409 40 0 EGABHN Cc1occc1CN(C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179205616 455019814 /nfs/dbraw/zinc/01/98/14/455019814.db2.gz KASYQRUZOWDAJO-QZTJIDSGSA-N 0 3 327.428 3.175 40 0 EGABHN c1ccc2c(c1)NCCC[C@H]2NCc1ccnc(O[C@@H]2CCOC2)c1 ZINC000193063766 455740588 /nfs/dbraw/zinc/74/05/88/455740588.db2.gz MIFREKNKZCZACN-VQIMIIECSA-N 0 3 339.439 3.286 40 0 EGABHN Cc1cccnc1[C@H]1CCC[C@@]2(C1)NC(=N)Nc1nc3ccccc3n12 ZINC000252498345 455814285 /nfs/dbraw/zinc/81/42/85/455814285.db2.gz QZFHGTFQYWCUMX-VBKZILBWSA-N 0 3 346.438 3.300 40 0 EGABHN CCn1cc(CCN2CCC(n3c(C)nc4ccccc43)CC2)cn1 ZINC000253416860 455842412 /nfs/dbraw/zinc/84/24/12/455842412.db2.gz DZSDJGFVXWTGAS-UHFFFAOYSA-N 0 3 337.471 3.441 40 0 EGABHN Cc1nnc(CN(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)s1 ZINC000253418488 455842784 /nfs/dbraw/zinc/84/27/84/455842784.db2.gz QYXBSRYVHXQKCR-WMLDXEAASA-N 0 3 330.501 3.331 40 0 EGABHN Cc1cc(NC(=O)C2CCN(c3ccnc4ccccc43)CC2)no1 ZINC000253420101 455843308 /nfs/dbraw/zinc/84/33/08/455843308.db2.gz YBKFTMPVCZQHSS-UHFFFAOYSA-N 0 3 336.395 3.386 40 0 EGABHN C[C@H](c1ccccc1)N1CCC(N2C(=O)N3CCC[C@]3(C)C2=O)CC1 ZINC000253630254 455855957 /nfs/dbraw/zinc/85/59/57/455855957.db2.gz QPJUITBSPGLSNS-FOIQADDNSA-N 0 3 341.455 3.029 40 0 EGABHN CC(=O)N1CCN(c2ccncc2)[C@H](c2ccc(OC(C)C)cc2)C1 ZINC000257342882 455895854 /nfs/dbraw/zinc/89/58/54/455895854.db2.gz ZQMJFHYOLAQVGE-FQEVSTJZSA-N 0 3 339.439 3.279 40 0 EGABHN CCOc1ccc(CN2CCC[C@H](Cc3n[nH]cc3C)C2)cc1CO ZINC000257344148 455896698 /nfs/dbraw/zinc/89/66/98/455896698.db2.gz ZVYSEETZSBUUNZ-MRXNPFEDSA-N 0 3 343.471 3.064 40 0 EGABHN CC(=O)c1csc(C(=O)Nc2ccc3c(c2)N(C)CCN(C)C3)c1 ZINC000195579310 455988889 /nfs/dbraw/zinc/98/88/89/455988889.db2.gz BPQQNLJXMXNCQL-UHFFFAOYSA-N 0 3 343.452 3.085 40 0 EGABHN Cc1ccccc1CN1CC2(C1)C[C@H](OCC1CCOCC1)CS2 ZINC000585104637 459823824 /nfs/dbraw/zinc/82/38/24/459823824.db2.gz JZWKOGUYEMXPFR-IBGZPJMESA-N 0 3 347.524 3.498 40 0 EGABHN Cc1ccc(C(=O)N2CCC[C@@]3(CCN3C[C@@H]3CCCO3)C2)c(C)c1 ZINC000585102045 459823901 /nfs/dbraw/zinc/82/39/01/459823901.db2.gz OPLGIKQLYLIBCZ-GHTZIAJQSA-N 0 3 342.483 3.163 40 0 EGABHN CN(C)c1ccc(C(=O)N2CCC[C@]3(CCN3C)C2)c2ccccc21 ZINC000585102109 459824298 /nfs/dbraw/zinc/82/42/98/459824298.db2.gz RVXCPJPGDBJLLL-NRFANRHFSA-N 0 3 337.467 3.216 40 0 EGABHN COc1ccccc1CN[C@H]1CCC[C@@H](Oc2ccccc2C)[C@@H]1O ZINC000585288805 459833518 /nfs/dbraw/zinc/83/35/18/459833518.db2.gz JMPBKKOZHZTFRE-IOMROCGXSA-N 0 3 341.451 3.454 40 0 EGABHN Cc1ncsc1CN1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC000096209003 282233018 /nfs/dbraw/zinc/23/30/18/282233018.db2.gz XDAKSFKSOWKRNR-INIZCTEOSA-N 0 3 345.468 3.049 40 0 EGABHN COc1ccc(CN2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)cc1 ZINC000072355484 216164998 /nfs/dbraw/zinc/16/49/98/216164998.db2.gz LBYPOKLLRUJHCZ-QGZVFWFLSA-N 0 3 349.438 3.051 40 0 EGABHN CC(C)(C)C[N@@H+]1CCC[C@@H](c2cnc([N-]c3ncccn3)cn2)C1 ZINC000072361895 216169216 /nfs/dbraw/zinc/16/92/16/216169216.db2.gz YKEJVWOGJKNQLL-CQSZACIVSA-N 0 3 326.448 3.236 40 0 EGABHN CC(C)(C)C[N@H+]1CCC[C@@H](c2cnc([N-]c3ncccn3)cn2)C1 ZINC000072361895 216169218 /nfs/dbraw/zinc/16/92/18/216169218.db2.gz YKEJVWOGJKNQLL-CQSZACIVSA-N 0 3 326.448 3.236 40 0 EGABHN Cc1cccc(CC(=O)NCC2CCN(Cc3ccco3)CC2)c1 ZINC000023128029 212352676 /nfs/dbraw/zinc/35/26/76/212352676.db2.gz JDDJLNOZODYIAT-UHFFFAOYSA-N 0 3 326.440 3.159 40 0 EGABHN N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000195542478 240995670 /nfs/dbraw/zinc/99/56/70/240995670.db2.gz KLEVRZSIYHMWCN-HKUYNNGSSA-N 0 3 340.492 3.197 40 0 EGABHN CC(C)OCCCNC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000020484261 212136579 /nfs/dbraw/zinc/13/65/79/212136579.db2.gz VCALRWIEWPJMFT-UHFFFAOYSA-N 0 3 332.488 3.463 40 0 EGABHN CCOc1ccc(CN2CCCC[C@H]2c2[nH]ncc2C)cc1CO ZINC000257217488 244168963 /nfs/dbraw/zinc/16/89/63/244168963.db2.gz CZEGZQYWEJYOQC-KRWDZBQOSA-N 0 3 329.444 3.336 40 0 EGABHN Cc1c[nH]c(-c2nccnc2[C@H]2CCCN(Cc3cccc(C)n3)C2)n1 ZINC000257232158 244218054 /nfs/dbraw/zinc/21/80/54/244218054.db2.gz GJRDSGRKWVKWQI-INIZCTEOSA-N 0 3 348.454 3.258 40 0 EGABHN Cc1nc(Nc2ccccn2)cc([C@@H]2CCCN(Cc3cnc[nH]3)C2)n1 ZINC000257236689 244229360 /nfs/dbraw/zinc/22/93/60/244229360.db2.gz HDFRFVALZQLIQS-OAHLLOKOSA-N 0 3 349.442 3.026 40 0 EGABHN CN(CCN1CCCCC1)C(=O)CCc1cn(C)c2ccccc12 ZINC000019657517 212053924 /nfs/dbraw/zinc/05/39/24/212053924.db2.gz GRPMNKNGJPSHQT-UHFFFAOYSA-N 0 3 327.472 3.055 40 0 EGABHN COCCC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C ZINC000019590806 212049551 /nfs/dbraw/zinc/04/95/51/212049551.db2.gz JKZVESMIEYOMEB-NSHGMRRFSA-N 0 3 348.462 3.031 40 0 EGABHN CCc1noc(C)c1C(=O)N1CCC(c2cc3c[nH]ccc-3n2)CC1 ZINC000019521193 212036741 /nfs/dbraw/zinc/03/67/41/212036741.db2.gz AQUHFXKJDJCDSX-UHFFFAOYSA-N 0 3 338.411 3.442 40 0 EGABHN CCc1noc(C)c1C(=O)N1CCC(c2cc3cnccc3[nH]2)CC1 ZINC000019521193 212036744 /nfs/dbraw/zinc/03/67/44/212036744.db2.gz AQUHFXKJDJCDSX-UHFFFAOYSA-N 0 3 338.411 3.442 40 0 EGABHN COc1ccc(OC)c(CN2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000019359010 212021678 /nfs/dbraw/zinc/02/16/78/212021678.db2.gz AJFSFBSOIUMROK-FCEWJHQRSA-N 0 3 330.472 3.010 40 0 EGABHN Fc1ccc(CN2C[C@H]3CCc4nnc(-c5cccnc5)n4[C@H]3C2)cc1 ZINC000019341538 212017582 /nfs/dbraw/zinc/01/75/82/212017582.db2.gz MAOMNKCOIMXONA-AEFFLSMTSA-N 0 3 349.413 3.099 40 0 EGABHN COc1cccc(CN2Cc3cc(C)ccc3OC[C@H]2CN(C)C)c1 ZINC000019219391 212005188 /nfs/dbraw/zinc/00/51/88/212005188.db2.gz AUVQCUPORIJMMK-LJQANCHMSA-N 0 3 340.467 3.328 40 0 EGABHN CCC(C)(C)C(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000079096441 217192189 /nfs/dbraw/zinc/19/21/89/217192189.db2.gz BOEQVNFNWBFIQE-MRXNPFEDSA-N 0 3 332.488 3.439 40 0 EGABHN C[C@@H](NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nccs1 ZINC000079438492 217225166 /nfs/dbraw/zinc/22/51/66/217225166.db2.gz PMRWGBFRGXOQDE-CHWSQXEVSA-N 0 3 325.478 3.441 40 0 EGABHN CN(C)C[C@H]1CSCCCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000090699814 289218663 /nfs/dbraw/zinc/21/86/63/289218663.db2.gz HJRXQJMMYHHZDK-KRWDZBQOSA-N 0 3 334.529 3.493 40 0 EGABHN CCc1nc2ccccc2n1C1CCN(C(=O)[C@@H](N)CC(C)C)CC1 ZINC000097234134 323215112 /nfs/dbraw/zinc/21/51/12/323215112.db2.gz ZCFQICOEVXRMDF-INIZCTEOSA-N 0 3 342.487 3.136 40 0 EGABHN COc1ccc([C@@H](C)NC2CCN(c3nccs3)CC2)c(OC)c1 ZINC000097237313 323215655 /nfs/dbraw/zinc/21/56/55/323215655.db2.gz MNFUECLMDHNMQU-CYBMUJFWSA-N 0 3 347.484 3.480 40 0 EGABHN O=C(c1cccc(Cl)c1)N1CCN(C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000002765110 452720136 /nfs/dbraw/zinc/72/01/36/452720136.db2.gz NUPOXGUGXABKNY-UXLLHSPISA-N 0 3 330.859 3.310 40 0 EGABHN CC(C)c1nc2sc3c(c2c(N2CCNCC2)n1)CC[C@@H](C)C3 ZINC000004910646 452825559 /nfs/dbraw/zinc/82/55/59/452825559.db2.gz WCROKSLWGACBNC-GFCCVEGCSA-N 0 3 330.501 3.349 40 0 EGABHN CCn1cncc1CN1C[C@@H]2CCC[C@@](O)(c3ccc(C)cc3)[C@@H]2C1 ZINC000012221323 453348828 /nfs/dbraw/zinc/34/88/28/453348828.db2.gz NXAYDVCQUNHBFR-IOMROCGXSA-N 0 3 339.483 3.331 40 0 EGABHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCc2ccccc21 ZINC000013002411 453436056 /nfs/dbraw/zinc/43/60/56/453436056.db2.gz BEYLGMVMKIKXMS-TZIWHRDSSA-N 0 3 334.463 3.497 40 0 EGABHN Cc1cccc(-c2noc([C@@H]3C[C@@H](O)CN3C3CCCCC3)n2)c1 ZINC000015674373 453581843 /nfs/dbraw/zinc/58/18/43/453581843.db2.gz VOHCTFQRJSVQBT-SJORKVTESA-N 0 3 327.428 3.485 40 0 biogenic,in-vitro EGABHN COc1cc(C)c(CNCc2cccc(-c3nc[nH]n3)c2)cc1OC ZINC000083468910 453949006 /nfs/dbraw/zinc/94/90/06/453949006.db2.gz NDQSKODZHNGRKR-UHFFFAOYSA-N 0 3 338.411 3.087 40 0 EGABHN OCC1CCN(Cc2cccc(NCc3cccc(O)c3)c2)CC1 ZINC000086258196 454046250 /nfs/dbraw/zinc/04/62/50/454046250.db2.gz STRPDXPTHIZVFP-UHFFFAOYSA-N 0 3 326.440 3.209 40 0 EGABHN FC(F)(F)CN1CC[C@H](N[C@H](c2ccccc2)c2ccncc2)C1 ZINC000095420999 454208306 /nfs/dbraw/zinc/20/83/06/454208306.db2.gz KFUKSQNHQYUDPH-DLBZAZTESA-N 0 3 335.373 3.397 40 0 EGABHN CCN1CCn2c(C)cnc2C12CCN(Cc1ccc(C)s1)CC2 ZINC000096037058 454265509 /nfs/dbraw/zinc/26/55/09/454265509.db2.gz XHWJYWBXIRFLJR-UHFFFAOYSA-N 0 3 344.528 3.388 40 0 EGABHN O=C1COC2(CCN(Cc3cccs3)CC2)CN1c1ccsc1 ZINC000096049245 454271610 /nfs/dbraw/zinc/27/16/10/454271610.db2.gz SFORNTKKNPJJBJ-UHFFFAOYSA-N 0 3 348.493 3.208 40 0 EGABHN c1cc(CN2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)co1 ZINC000096065149 454278106 /nfs/dbraw/zinc/27/81/06/454278106.db2.gz QUVPMDXGNAYNCP-VQTJNVASSA-N 0 3 342.439 3.263 40 0 EGABHN c1csc(CN2CCC[C@]3(C[C@H](OCc4cccnc4)CO3)C2)c1 ZINC000096107505 454284462 /nfs/dbraw/zinc/28/44/62/454284462.db2.gz SSKWFHOGUFVRTO-HKUYNNGSSA-N 0 3 344.480 3.483 40 0 EGABHN COc1ccc(C[C@H]2CN(Cc3cccc(C)n3)CC[C@H]2OC)cc1 ZINC000096110238 454285950 /nfs/dbraw/zinc/28/59/50/454285950.db2.gz RRCZPNKVNWQKCT-GHTZIAJQSA-N 0 3 340.467 3.478 40 0 EGABHN c1csc(CN2CC[C@]3(C[C@@H](OCc4cccnc4)CO3)C2)c1 ZINC000096107765 454286203 /nfs/dbraw/zinc/28/62/03/454286203.db2.gz KPSMSQWVYZXXFR-AEFFLSMTSA-N 0 3 330.453 3.093 40 0 EGABHN O=C(CC1CC1)N[C@@H]1COCCC12CCN(Cc1ccsc1)CC2 ZINC000096217231 454307506 /nfs/dbraw/zinc/30/75/06/454307506.db2.gz ICXLVGIEARGCLV-QGZVFWFLSA-N 0 3 348.512 3.036 40 0 EGABHN CN(Cc1ccccc1)[C@H]1COC2(C1)CCN(C(=O)C1CCC1)CC2 ZINC000096221043 454309536 /nfs/dbraw/zinc/30/95/36/454309536.db2.gz ZNMUEVLUIAULHM-LJQANCHMSA-N 0 3 342.483 3.069 40 0 EGABHN CC(C)NC(=O)N1CC[C@H](F)[C@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096241267 454311425 /nfs/dbraw/zinc/31/14/25/454311425.db2.gz FEEGXCIVAJOQOH-RDJZCZTQSA-N 0 3 339.480 3.102 40 0 EGABHN Cc1nnc(CN2CCN(Cc3ccccc3)C3(CCCCC3)C2)o1 ZINC000096461366 454359476 /nfs/dbraw/zinc/35/94/76/454359476.db2.gz YUXNQZWFHXREBK-UHFFFAOYSA-N 0 3 340.471 3.399 40 0 EGABHN C[C@@H](CCN[C@H]1CCCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000096491681 454368555 /nfs/dbraw/zinc/36/85/55/454368555.db2.gz ISVPSVXLECNTKR-WFASDCNBSA-N 0 3 349.418 3.366 40 0 EGABHN CN1CC[C@@]2(CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)C2)C1 ZINC000063527592 454421465 /nfs/dbraw/zinc/42/14/65/454421465.db2.gz QYCOQVRCOHYQEE-OAHLLOKOSA-N 0 3 330.325 3.012 40 0 EGABHN COc1ccccc1CN1CC[C@H](c2nnc(-c3ccncc3)o2)C1 ZINC000049169590 454537291 /nfs/dbraw/zinc/53/72/91/454537291.db2.gz ZMHZAVDZXJKSCT-INIZCTEOSA-N 0 3 336.395 3.130 40 0 biogenic,in-vitro EGABHN COc1ccccc1NC1CCN(Cc2nc(C)ccc2O)CC1 ZINC000093817111 454737812 /nfs/dbraw/zinc/73/78/12/454737812.db2.gz ITCNPHLVHSRAOM-UHFFFAOYSA-N 0 3 327.428 3.181 40 0 EGABHN COc1ccccc1NC1CC[NH+](Cc2nc(C)ccc2[O-])CC1 ZINC000093817111 454737815 /nfs/dbraw/zinc/73/78/15/454737815.db2.gz ITCNPHLVHSRAOM-UHFFFAOYSA-N 0 3 327.428 3.181 40 0 EGABHN CN(C)Cc1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000109052507 454820344 /nfs/dbraw/zinc/82/03/44/454820344.db2.gz VOIHWIQUQPEJFC-MRXNPFEDSA-N 0 3 329.469 3.225 40 0 EGABHN CC(=O)Nc1ccc(N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1 ZINC000181956777 455404568 /nfs/dbraw/zinc/40/45/68/455404568.db2.gz SJBMPBACTOFJLE-QRWLVFNGSA-N 0 3 338.455 3.363 40 0 EGABHN Cc1cc(C)n(C[C@H](O)CN(Cc2ccco2)C[C@@H]2CC=CCC2)n1 ZINC000247883222 455652491 /nfs/dbraw/zinc/65/24/91/455652491.db2.gz CPLVJSANCGWLTC-RTBURBONSA-N 0 3 343.471 3.312 40 0 EGABHN c1cc(CN2CC[C@H]3OCCN(c4cccnc4)[C@@H]3CC2)cs1 ZINC000247952284 455659295 /nfs/dbraw/zinc/65/92/95/455659295.db2.gz KNYGNVSNACRDIW-QZTJIDSGSA-N 0 3 329.469 3.013 40 0 EGABHN Cc1ccc([C@]2(O)CCC[C@H]3CN(Cc4cnc(C)nc4)C[C@H]32)cc1 ZINC000248088018 455680286 /nfs/dbraw/zinc/68/02/86/455680286.db2.gz LOEHXFLWUKAUCB-CEWLAPEOSA-N 0 3 337.467 3.213 40 0 EGABHN Cc1nc(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)no1 ZINC000252481764 455808632 /nfs/dbraw/zinc/80/86/32/455808632.db2.gz CRMIQXHBTIPMQS-VQTJNVASSA-N 0 3 348.450 3.136 40 0 EGABHN C[C@H](C[S@@](C)=O)N(C)C1CC(c2ccc(Br)cc2)C1 ZINC000194482742 455848248 /nfs/dbraw/zinc/84/82/48/455848248.db2.gz CJCPVIKUBMXCIW-YTULBECBSA-N 0 3 344.318 3.394 40 0 EGABHN CC(=O)NCc1cc([C@H]2CCCN2Cc2sccc2C)ccn1 ZINC000257344121 455897172 /nfs/dbraw/zinc/89/71/72/455897172.db2.gz ZVULTNHMEKDYID-QGZVFWFLSA-N 0 3 329.469 3.425 40 0 EGABHN O=C(NCCCNCc1cccnc1)c1ccc2sccc2c1 ZINC000195542767 455982902 /nfs/dbraw/zinc/98/29/02/455982902.db2.gz HPVFCXBVTJPBTA-UHFFFAOYSA-N 0 3 325.437 3.206 40 0 EGABHN Fc1ccccc1COC1CCN(CCO[C@H]2CCCCO2)CC1 ZINC000225531237 456090494 /nfs/dbraw/zinc/09/04/94/456090494.db2.gz MRPTWLNNNMBSHF-IBGZPJMESA-N 0 3 337.435 3.350 40 0 EGABHN CC(C)(C)C[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000225548664 456091934 /nfs/dbraw/zinc/09/19/34/456091934.db2.gz NLYMZKJXYJDHJK-XJKSGUPXSA-N 0 3 327.465 3.327 40 0 EGABHN CCC(=O)O/C=C/c1ccc(CNCCNC(=O)OC(C)(C)C)cc1 ZINC000228980560 456125748 /nfs/dbraw/zinc/12/57/48/456125748.db2.gz DMLYCLXJODDWOK-JLHYYAGUSA-N 0 3 348.443 3.225 40 0 EGABHN c1nc([N-]c2cncc([C@@H]3CCC[NH2+]C3)n2)sc1-c1ccccc1 ZINC000585263294 459832216 /nfs/dbraw/zinc/83/22/16/459832216.db2.gz VCIRNAJRRMXVPR-CQSZACIVSA-N 0 3 337.452 3.233 40 0 EGABHN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CCN(C)CC1 ZINC000222943263 547245426 /nfs/dbraw/zinc/24/54/26/547245426.db2.gz XUFAHYYSOSUJGF-SFHVURJKSA-N 0 3 332.488 3.352 40 0 EGABHN COc1ccc(CN2CCN(C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)c(OC)c1 ZINC000224085506 547246577 /nfs/dbraw/zinc/24/65/77/547246577.db2.gz GYEMFVMJQAHSIM-SCTDSRPQSA-N 0 3 342.483 3.034 40 0 EGABHN Fc1ccc(CN2CCC(c3nccnc3-n3ccnc3)CC2)cc1 ZINC000072350499 216162483 /nfs/dbraw/zinc/16/24/83/216162483.db2.gz SKDSNQNRKLNZGG-UHFFFAOYSA-N 0 3 337.402 3.181 40 0 EGABHN c1ncc(CN2CCC[C@@H](Cc3ccc(NC4CCCC4)nn3)C2)[nH]1 ZINC000072387289 216186250 /nfs/dbraw/zinc/18/62/50/216186250.db2.gz CXHMOZCYDRBMBQ-HNNXBMFYSA-N 0 3 340.475 3.009 40 0 EGABHN CCc1ccc(-c2ccc(CNC[C@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000072921762 216328441 /nfs/dbraw/zinc/32/84/41/216328441.db2.gz SOGLEOVOLYPRLG-OAHLLOKOSA-N 0 3 333.453 3.033 40 0 EGABHN CC(C)n1nccc1NC(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000072928806 216328533 /nfs/dbraw/zinc/32/85/33/216328533.db2.gz YYXGYYKNEAXXQA-UHFFFAOYSA-N 0 3 331.420 3.048 40 0 EGABHN COc1cc(Cl)c(Cl)cc1NC(=O)NC1CCN(C)CC1 ZINC000191285370 239014916 /nfs/dbraw/zinc/01/49/16/239014916.db2.gz RNQBZDVGKRHBAS-UHFFFAOYSA-N 0 3 332.231 3.218 40 0 EGABHN Cn1cncc1-c1nccnc1C1CCN(Cc2ccccc2)CC1 ZINC000257234647 244221937 /nfs/dbraw/zinc/22/19/37/244221937.db2.gz GUNHUMBQWPZBHY-UHFFFAOYSA-N 0 3 333.439 3.257 40 0 EGABHN COc1ccccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C)C2 ZINC000257237228 244231447 /nfs/dbraw/zinc/23/14/47/244231447.db2.gz HFQGQRNBFFCCON-XBQLCILLSA-N 0 3 328.456 3.173 40 0 EGABHN O=C1CCCC[C@]2(CN(Cc3ccccc3)C[C@H]2c2ccccn2)N1 ZINC000019372616 212022892 /nfs/dbraw/zinc/02/28/92/212022892.db2.gz QREXKJBFXYDPGM-GHTZIAJQSA-N 0 3 335.451 3.110 40 0 EGABHN O[C@@]1(c2ccccc2)CCN(Cc2cccc(Oc3ncccn3)c2)C1 ZINC000019369777 212022559 /nfs/dbraw/zinc/02/25/59/212022559.db2.gz DASHMSDRRRFPRJ-NRFANRHFSA-N 0 3 347.418 3.362 40 0 EGABHN Cc1ccc2c(c1)CN(Cc1ccccc1F)[C@@H](CN(C)C)CO2 ZINC000019219397 212005700 /nfs/dbraw/zinc/00/57/00/212005700.db2.gz HQIDLEBINIUMAI-SFHVURJKSA-N 0 3 328.431 3.459 40 0 EGABHN Cc1ccc(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1 ZINC000078578663 217079994 /nfs/dbraw/zinc/07/99/94/217079994.db2.gz ZSJBTAXYFBXORU-UHFFFAOYSA-N 0 3 338.451 3.398 40 0 EGABHN C[C@H](CNC(=O)N(C)[C@H](C)c1cccnc1)N(C)Cc1ccccc1 ZINC000078926009 217148781 /nfs/dbraw/zinc/14/87/81/217148781.db2.gz IYFXKZKTQABYJS-IAGOWNOFSA-N 0 3 340.471 3.305 40 0 EGABHN O[C@]1(c2cccnc2)CCC[C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@@H]21 ZINC000012337135 211351556 /nfs/dbraw/zinc/35/15/56/211351556.db2.gz GCEVUISTTAMAGY-SYNHAJSKSA-N 0 3 344.405 3.480 40 0 EGABHN CCCn1cc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cn1 ZINC000012242280 211329679 /nfs/dbraw/zinc/32/96/79/211329679.db2.gz MJGRAEHJIVLHJH-YOFSQIOKSA-N 0 3 343.446 3.447 40 0 EGABHN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NCC(C)(C)N1CCCCC1 ZINC000091595379 218029141 /nfs/dbraw/zinc/02/91/41/218029141.db2.gz KZPDDSIJNYBFES-MRXNPFEDSA-N 0 3 347.507 3.138 40 0 EGABHN C[C@H](N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cnn(C)c1 ZINC000095422513 218365197 /nfs/dbraw/zinc/36/51/97/218365197.db2.gz VSVUQQDORHKRLJ-SWLSCSKDSA-N 0 3 338.377 3.368 40 0 EGABHN C[C@H](NCC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1cnn(C)c1 ZINC000097373411 219017189 /nfs/dbraw/zinc/01/71/89/219017189.db2.gz NRBBGKNDOWVUEZ-AWEZNQCLSA-N 0 3 336.480 3.108 40 0 EGABHN O[C@@]1(CN[C@H]2CCc3c2c(Br)ccc3F)CCSC1 ZINC000089704424 285345830 /nfs/dbraw/zinc/34/58/30/285345830.db2.gz CSYUPDLWSIWQFL-GXTWGEPZSA-N 0 3 346.265 3.033 40 0 EGABHN C[C@@H]1CCc2c(sc3nc(C4CC4)nc(N4CCNCC4)c23)C1 ZINC000004847588 274320349 /nfs/dbraw/zinc/32/03/49/274320349.db2.gz VUCZIMVZCWWWDQ-LLVKDONJSA-N 0 3 328.485 3.103 40 0 EGABHN Cc1cccnc1[C@@H]1CCC[C@]2(C1)NC(=N)Nc1nc3ccccc3n12 ZINC000252498346 274813845 /nfs/dbraw/zinc/81/38/45/274813845.db2.gz QZFHGTFQYWCUMX-VLIAUNLRSA-N 0 3 346.438 3.300 40 0 EGABHN OCCN[C@H](c1ccc(Cl)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC000001555486 275047619 /nfs/dbraw/zinc/04/76/19/275047619.db2.gz FHGFQQXEMNVJIA-HZPDHXFCSA-N 0 3 326.223 3.350 40 0 EGABHN C[C@@H](CCN[C@@H]1CCc2c1cccc2Br)[S@](C)=O ZINC000091398853 278233885 /nfs/dbraw/zinc/23/38/85/278233885.db2.gz LACQNTZIRDSNLO-DGVXXNCNSA-N 0 3 330.291 3.183 40 0 EGABHN Cc1ccc2nccc(N3CCCN(C(=O)c4ccncc4)CC3)c2c1 ZINC000096502978 281169085 /nfs/dbraw/zinc/16/90/85/281169085.db2.gz BZWRPRJSNCQYGL-UHFFFAOYSA-N 0 3 346.434 3.291 40 0 EGABHN CCN1CC[C@H](SC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000001710802 452675098 /nfs/dbraw/zinc/67/50/98/452675098.db2.gz CRAZPPVOJPYVLH-SFHVURJKSA-N 0 3 341.476 3.277 40 0 EGABHN COc1cc(CC[C@@H]2c3cc(O)c(OC)cc3CCN2C)ccc1O ZINC000003847476 452785627 /nfs/dbraw/zinc/78/56/27/452785627.db2.gz SQOGYRBPCGNZFV-MRXNPFEDSA-N 0 3 343.423 3.277 40 0 EGABHN Cc1cc(C)c(OC[C@H](O)CN2CCc3ccccc3C2)c(C)c1 ZINC000006500577 452947864 /nfs/dbraw/zinc/94/78/64/452947864.db2.gz BWKFDNLKEHZJFX-HXUWFJFHSA-N 0 3 325.452 3.410 40 0 EGABHN CC(C)(C)n1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2ccccc2F)c1 ZINC000014001570 453498499 /nfs/dbraw/zinc/49/84/99/453498499.db2.gz HFXJHYMJOZAHKN-MJGOQNOKSA-N 0 3 343.446 3.492 40 0 EGABHN CCC(=O)N1CCCc2cc([C@H](O)CN3CCC(C)CC3)ccc21 ZINC000019498882 453656720 /nfs/dbraw/zinc/65/67/20/453656720.db2.gz JRRHIKLRTNOCNS-LJQANCHMSA-N 0 3 330.472 3.141 40 0 EGABHN O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)CN2Cc1ccccn1 ZINC000019712617 453659074 /nfs/dbraw/zinc/65/90/74/453659074.db2.gz CWRYWBYPFGVVPT-ZVDOUQERSA-N 0 3 335.451 3.108 40 0 EGABHN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000027932246 453821443 /nfs/dbraw/zinc/82/14/43/453821443.db2.gz WBVLCVHAYAQPDX-DGCLKSJQSA-N 0 3 343.254 3.067 40 0 EGABHN CCOc1cc([C@@H](N)c2n[nH]c(-c3ccc(C)cc3)n2)ccc1OC ZINC000095534457 454230933 /nfs/dbraw/zinc/23/09/33/454230933.db2.gz IDMXVPYMJUNPGJ-QGZVFWFLSA-N 0 3 338.411 3.236 40 0 EGABHN Cc1cccc(CN2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)n1 ZINC000096039807 454265809 /nfs/dbraw/zinc/26/58/09/454265809.db2.gz UVKUOMVUHHETHJ-VQTJNVASSA-N 0 3 330.472 3.188 40 0 EGABHN O=C(c1cccs1)N1CCC[C@@]2(CCN(Cc3cccnc3)C2)C1 ZINC000096047026 454270287 /nfs/dbraw/zinc/27/02/87/454270287.db2.gz IMBFMSYMRBRWNG-IBGZPJMESA-N 0 3 341.480 3.271 40 0 EGABHN c1csc(CN2CCC3(CCN(Cc4ccccn4)C3)CC2)n1 ZINC000096046620 454270556 /nfs/dbraw/zinc/27/05/56/454270556.db2.gz URCNXNFEFBOAEZ-UHFFFAOYSA-N 0 3 328.485 3.026 40 0 EGABHN c1cc(CN2CCC3(CC2)CN(Cc2ccccn2)CCO3)cs1 ZINC000096048957 454271353 /nfs/dbraw/zinc/27/13/53/454271353.db2.gz RUXNVPLYSDOOJK-UHFFFAOYSA-N 0 3 343.496 3.010 40 0 EGABHN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3Cc2cccs2)cs1 ZINC000096056574 454274005 /nfs/dbraw/zinc/27/40/05/454274005.db2.gz GKXSUEUXBWCSSZ-HZPDHXFCSA-N 0 3 347.509 3.279 40 0 EGABHN Cc1ccc(CN2CCOC[C@@]3(CCN(c4ccccn4)C3)C2)s1 ZINC000096062465 454278215 /nfs/dbraw/zinc/27/82/15/454278215.db2.gz RNBRFSVBWVBMBL-IBGZPJMESA-N 0 3 343.496 3.180 40 0 EGABHN Cc1cccc(CN2CCCC3(CCN(c4ncccn4)CC3)C2)n1 ZINC000096071875 454280479 /nfs/dbraw/zinc/28/04/79/454280479.db2.gz IDGGZVDDSCNPMI-UHFFFAOYSA-N 0 3 337.471 3.063 40 0 EGABHN Cc1noc(C)c1CN1CCCC12CCN(C(=O)c1ccoc1)CC2 ZINC000096075298 454280498 /nfs/dbraw/zinc/28/04/98/454280498.db2.gz JJPHQBPJMAZRBJ-UHFFFAOYSA-N 0 3 343.427 3.155 40 0 EGABHN Cc1ccc(CN2CC[C@]3(C[C@H](OCc4csc(C)n4)CO3)C2)o1 ZINC000096107625 454284732 /nfs/dbraw/zinc/28/47/32/454284732.db2.gz XTAWDSZIGVRJIV-ROUUACIJSA-N 0 3 348.468 3.303 40 0 EGABHN Cc1noc(C)c1CN1CC[C@H](OCC2CC2)[C@@H]1Cc1cccnc1 ZINC000096200546 454302230 /nfs/dbraw/zinc/30/22/30/454302230.db2.gz FJUYQTJVAPPHOQ-PMACEKPBSA-N 0 3 341.455 3.299 40 0 EGABHN c1cc(CN2CC[C@@]3(C2)CCC[C@H](CNc2ncccn2)O3)cs1 ZINC000096220124 454306986 /nfs/dbraw/zinc/30/69/86/454306986.db2.gz ATIFGSOXVYQZCR-SJLPKXTDSA-N 0 3 344.484 3.164 40 0 EGABHN Cc1ccc(CN2CCC[C@@]3(C[C@H](Oc4ncccn4)CO3)C2)s1 ZINC000096222578 454309019 /nfs/dbraw/zinc/30/90/19/454309019.db2.gz HECZIZUNNFBAFD-MAUKXSAKSA-N 0 3 345.468 3.049 40 0 EGABHN O=C(c1ccsc1)N1CCC2(CCCN2Cc2cccnc2)CC1 ZINC000096227979 454309576 /nfs/dbraw/zinc/30/95/76/454309576.db2.gz PUVFNBRNEPBRRC-UHFFFAOYSA-N 0 3 341.480 3.414 40 0 EGABHN CCC1=N[C@@]2(CC[C@@H]3CN(Cc4ccc(Cl)cc4)C[C@@H]32)C(=O)N1C ZINC000096261588 454315095 /nfs/dbraw/zinc/31/50/95/454315095.db2.gz GEHVHJJYLSWXMO-SIXWZSSISA-N 0 3 345.874 3.201 40 0 EGABHN O=C([C@H]1C[C@@H]1c1cccnc1)N(CCN1CCCC1)c1ccccc1 ZINC000096416798 454332360 /nfs/dbraw/zinc/33/23/60/454332360.db2.gz AUURWOZHATUEAA-UXHICEINSA-N 0 3 335.451 3.314 40 0 EGABHN C[C@H](CC(=O)NC1CCN(C)CC1)c1ccccc1C(F)(F)F ZINC000096427037 454340469 /nfs/dbraw/zinc/34/04/69/454340469.db2.gz KIYVAVKUYIZYRB-GFCCVEGCSA-N 0 3 328.378 3.409 40 0 EGABHN CN(C)CCn1ccc(NC(=O)N2CCC3(CCCCC3)CC2)n1 ZINC000096435381 454346743 /nfs/dbraw/zinc/34/67/43/454346743.db2.gz WXEAYZKYJIYNQX-UHFFFAOYSA-N 0 3 333.480 3.023 40 0 EGABHN C[C@@H](NCCOC1CCCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000096477934 454364301 /nfs/dbraw/zinc/36/43/01/454364301.db2.gz AWIAJLNVNYFFHQ-OAHLLOKOSA-N 0 3 339.501 3.480 40 0 EGABHN O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(CCc2ccncc2)C1 ZINC000096483685 454366763 /nfs/dbraw/zinc/36/67/63/454366763.db2.gz AESKDEZQMFYFSU-IRXDYDNUSA-N 0 3 336.357 3.451 40 0 EGABHN Cc1cc(Br)ccc1C(=O)NCCN1CCCCCC1 ZINC000048573199 454499523 /nfs/dbraw/zinc/49/95/23/454499523.db2.gz UHKDXNSIBRQISY-UHFFFAOYSA-N 0 3 339.277 3.363 40 0 EGABHN CN(C)c1ccc(-c2nnc([C@H]3CCN(Cc4ccncc4)C3)o2)cc1 ZINC000049170232 454537182 /nfs/dbraw/zinc/53/71/82/454537182.db2.gz QRVWBOYEBRDJLI-KRWDZBQOSA-N 0 3 349.438 3.187 40 0 biogenic,in-vitro EGABHN CC[C@@H]1CCCCN1CC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000052567614 454685248 /nfs/dbraw/zinc/68/52/48/454685248.db2.gz GWIKTCAIDIIMEL-QAPCUYQASA-N 0 3 340.471 3.491 40 0 EGABHN Cc1ccc(C)c(C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)c1 ZINC000152953624 454746744 /nfs/dbraw/zinc/74/67/44/454746744.db2.gz GAERBRRJIOAKAU-UHFFFAOYSA-N 0 3 339.439 3.424 40 0 EGABHN Cc1ncsc1CN1CC[C@@H]2OCCC[C@@]2(COCC2CC2)C1 ZINC000107712068 454769817 /nfs/dbraw/zinc/76/98/17/454769817.db2.gz SEWYPOTXDYBQCO-ROUUACIJSA-N 0 3 336.501 3.249 40 0 EGABHN CN1CCC[C@H](CNC(=O)NCc2ccco2)[C@H]1c1cccs1 ZINC000110630302 454849869 /nfs/dbraw/zinc/84/98/69/454849869.db2.gz IBICKUORQFEJNB-CJNGLKHVSA-N 0 3 333.457 3.223 40 0 EGABHN CN(C)Cc1ccc(C(N)=O)cc1N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129540781 455116397 /nfs/dbraw/zinc/11/63/97/455116397.db2.gz QUIFLAZPYQRXLI-UONOGXRCSA-N 0 3 343.393 3.380 40 0 EGABHN CCc1ocnc1C(=O)OC[C@@H]1CCN(C)[C@H]1c1ccc(OC)cc1 ZINC000248179511 455695719 /nfs/dbraw/zinc/69/57/19/455695719.db2.gz CKKHVRQLKVUALX-KSSFIOAISA-N 0 3 344.411 3.095 40 0 EGABHN Cc1ncccc1CN1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248588327 455720913 /nfs/dbraw/zinc/72/09/13/455720913.db2.gz GRQXVFIOODIXBH-YESZJQIVSA-N 0 3 331.460 3.125 40 0 EGABHN Cc1cc(CN(C)C)cc(NC(=O)c2ncccc2Br)c1 ZINC000252498351 455814686 /nfs/dbraw/zinc/81/46/86/455814686.db2.gz QZKICJKGEYVBRG-UHFFFAOYSA-N 0 3 348.244 3.466 40 0 EGABHN CNc1cnc(C[C@@H]2CCCN(Cc3scnc3C)CC2)cn1 ZINC000257297341 455885321 /nfs/dbraw/zinc/88/53/21/455885321.db2.gz RGVNCSYQXQTIGS-CQSZACIVSA-N 0 3 331.489 3.128 40 0 EGABHN Fc1ccc(CN2CCC3(CO[C@H](Cc4cncnc4)C3)CC2)cc1 ZINC000257294538 455885693 /nfs/dbraw/zinc/88/56/93/455885693.db2.gz QUPPKIWTQQSZLN-LJQANCHMSA-N 0 3 341.430 3.230 40 0 EGABHN COc1cccc2c1CC[C@H]2N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000195540597 455982200 /nfs/dbraw/zinc/98/22/00/455982200.db2.gz QGGVCJSGNWAMFM-SCLBCKFNSA-N 0 3 345.464 3.437 40 0 EGABHN CCN(CC)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c([O-])c1 ZINC000195546790 455982682 /nfs/dbraw/zinc/98/26/82/455982682.db2.gz YROCVBBXKXSISH-YJBOKZPZSA-N 0 3 347.503 3.041 40 0 EGABHN CCN(CC)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c([O-])c1 ZINC000195546790 455982687 /nfs/dbraw/zinc/98/26/87/455982687.db2.gz YROCVBBXKXSISH-YJBOKZPZSA-N 0 3 347.503 3.041 40 0 EGABHN Cc1cc(NC(=O)[C@@H]2CCCN2C2CCOCC2)c2ccccc2n1 ZINC000195557775 455985184 /nfs/dbraw/zinc/98/51/84/455985184.db2.gz ZNWDAMFYUZIYRK-IBGZPJMESA-N 0 3 339.439 3.125 40 0 EGABHN CC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225601895 456096957 /nfs/dbraw/zinc/09/69/57/456096957.db2.gz VSYCJKMONWZSNH-LJQANCHMSA-N 0 3 334.460 3.305 40 0 EGABHN CCCC[C@H](C)C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000225693087 456104170 /nfs/dbraw/zinc/10/41/70/456104170.db2.gz LBPGTGXYRCEKLJ-RDJZCZTQSA-N 0 3 345.487 3.149 40 0 EGABHN CCOCC[C@H]1CCOC12CCN(Cc1ccc(OC)cc1)CC2 ZINC000585105085 459825464 /nfs/dbraw/zinc/82/54/64/459825464.db2.gz PBXWTXXQCOJUOA-SFHVURJKSA-N 0 3 333.472 3.493 40 0 EGABHN O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1NCc1ccc(F)cc1F ZINC000585289959 459833281 /nfs/dbraw/zinc/83/32/81/459833281.db2.gz YFHSNGVFZKZCGB-IPMKNSEASA-N 0 3 333.378 3.415 40 0 EGABHN COc1ccc2cc(CN3CCC4(CC3)OCCC[C@@H]4O)ccc2c1 ZINC000257265753 537033578 /nfs/dbraw/zinc/03/35/78/537033578.db2.gz MACRLJIVYWIFLD-FQEVSTJZSA-N 0 3 341.451 3.354 40 0 EGABHN Cc1cc(CCC(=O)Nc2cn[nH]c2)cc([C@H]2CCCN2C(C)C)n1 ZINC000072366852 216172527 /nfs/dbraw/zinc/17/25/27/216172527.db2.gz BQVQMHWXCGRPQH-GOSISDBHSA-N 0 3 341.459 3.230 40 0 EGABHN CN(C)Cc1ccc(C(N)=O)cc1N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000129541188 223067262 /nfs/dbraw/zinc/06/72/62/223067262.db2.gz QUIFLAZPYQRXLI-ZIAGYGMSSA-N 0 3 343.393 3.380 40 0 EGABHN O=c1cc(C2CC[NH+](Cc3ccncc3)CC2)nc(-c2cccnc2)[n-]1 ZINC000072392757 216191029 /nfs/dbraw/zinc/19/10/29/216191029.db2.gz WJZNZVUYNSDHID-UHFFFAOYSA-N 0 3 347.422 3.019 40 0 EGABHN C[C@@H]1CCCN(Cc2cc(-c3ccc(F)cc3)cn3nnnc23)C1 ZINC000072392331 216191138 /nfs/dbraw/zinc/19/11/38/216191138.db2.gz FIHYSXHRGAYYAZ-CYBMUJFWSA-N 0 3 325.391 3.162 40 0 EGABHN C[C@@H](CN1CCC(N2CCCNC2=O)CC1)c1cccc(Cl)c1 ZINC000195573016 241019760 /nfs/dbraw/zinc/01/97/60/241019760.db2.gz HIMSCEBQEVPWSN-AWEZNQCLSA-N 0 3 335.879 3.323 40 0 EGABHN Cc1cnc(NC(=O)C2(Cc3cccc(F)c3)CCN(C)CC2)s1 ZINC000257227157 244205076 /nfs/dbraw/zinc/20/50/76/244205076.db2.gz FNYMAJLBGMVLOB-UHFFFAOYSA-N 0 3 347.459 3.484 40 0 EGABHN CC(=O)NCC[C@@H]1CCCCN1Cc1cn(C)c2ccc(F)cc12 ZINC000019749145 212062074 /nfs/dbraw/zinc/06/20/74/212062074.db2.gz XGVWBVCNEGTPHX-KRWDZBQOSA-N 0 3 331.435 3.198 40 0 EGABHN COc1ccc([C@@H]2CN(Cc3ccncc3)C[C@H]2c2cc[nH]n2)cc1 ZINC000019557235 212042270 /nfs/dbraw/zinc/04/22/70/212042270.db2.gz ZJAGKICBNVDBRS-RBUKOAKNSA-N 0 3 334.423 3.197 40 0 EGABHN Fc1cc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)ccc1Cl ZINC000019292967 212012702 /nfs/dbraw/zinc/01/27/02/212012702.db2.gz FJSCAODYPPIGML-QGZVFWFLSA-N 0 3 346.837 3.252 40 0 EGABHN COc1ccccc1CN1CCC[C@@H](c2nn(C)c3ncccc23)C1 ZINC000019289502 212012023 /nfs/dbraw/zinc/01/20/23/212012023.db2.gz YNWXYVMAPVIANK-MRXNPFEDSA-N 0 3 336.439 3.357 40 0 EGABHN Cc1nn(CCO)c(C)c1CN[C@@H]1CCC(C)(C)c2ccccc21 ZINC000078553339 217074861 /nfs/dbraw/zinc/07/48/61/217074861.db2.gz QMNBLCAFQXKJCT-LJQANCHMSA-N 0 3 327.472 3.395 40 0 EGABHN C[C@H](NC1(CNC(=O)C[C@@H]2C=CCC2)CCOCC1)c1ccccc1 ZINC000079096340 217192115 /nfs/dbraw/zinc/19/21/15/217192115.db2.gz PJPQVPKDPGKLEJ-ZWKOTPCHSA-N 0 3 342.483 3.359 40 0 EGABHN CC[C@H]1CCCCN1CCNC(=O)Nc1cccc(NC(C)=O)c1 ZINC000079101281 217192434 /nfs/dbraw/zinc/19/24/34/217192434.db2.gz URRHFIUTYQKZMV-KRWDZBQOSA-N 0 3 332.448 3.031 40 0 EGABHN O[C@@]1(c2cccnc2)CCC[C@H]2CN(Cc3ccc(F)c(F)c3)C[C@@H]21 ZINC000012337136 211350780 /nfs/dbraw/zinc/35/07/80/211350780.db2.gz GCEVUISTTAMAGY-RIFZZMRRSA-N 0 3 344.405 3.480 40 0 EGABHN C[C@@H](c1ccccc1)N1CCC(NC(=O)CN2CCC(C)CC2)CC1 ZINC000012113263 211293298 /nfs/dbraw/zinc/29/32/98/211293298.db2.gz SBPHWEOJGVEEMD-SFHVURJKSA-N 0 3 343.515 3.060 40 0 EGABHN Cc1ccc2c(c1)C(=O)NCC1(CCN(Cc3ccccc3)CC1)O2 ZINC000012142610 274770557 /nfs/dbraw/zinc/77/05/57/274770557.db2.gz MSUACKJEJZJDSU-UHFFFAOYSA-N 0 3 336.435 3.152 40 0 EGABHN CN(C)[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1c1cn(C)c2ccccc12 ZINC000072395158 276845478 /nfs/dbraw/zinc/84/54/78/276845478.db2.gz KQMSVQZSIANXMP-FUHWJXTLSA-N 0 3 327.472 3.080 40 0 EGABHN CN1CCC[C@@]12CCCN(C(=O)c1ccc(C(F)(F)F)cc1)C2 ZINC000096071410 277070832 /nfs/dbraw/zinc/07/08/32/277070832.db2.gz CXJPBUZRALDDJF-INIZCTEOSA-N 0 3 326.362 3.406 40 0 EGABHN CN1CCC[C@]12CCCN(C(=O)c1ccc(C(F)(F)F)cc1)C2 ZINC000096071411 277085195 /nfs/dbraw/zinc/08/51/95/277085195.db2.gz CXJPBUZRALDDJF-MRXNPFEDSA-N 0 3 326.362 3.406 40 0 EGABHN C[C@@H]1C[C@H](OC[C@H](O)CN(CCO)Cc2ccccc2)CC(C)(C)C1 ZINC000095532666 279001274 /nfs/dbraw/zinc/00/12/74/279001274.db2.gz FKQLTXLKHRPMII-RLLQIKCJSA-N 0 3 349.515 3.073 40 0 EGABHN CC[C@H](OC[C@H](O)CN(CCO)Cc1ccccc1)c1ccccc1 ZINC000002694627 281012024 /nfs/dbraw/zinc/01/20/24/281012024.db2.gz ITVGMNRFDVQDOW-RTWAWAEBSA-N 0 3 343.467 3.010 40 0 EGABHN C[C@@H]1CCN(C(=O)Nc2ccn(CCN(C)C)n2)[C@H](c2ccco2)C1 ZINC000097099174 323214666 /nfs/dbraw/zinc/21/46/66/323214666.db2.gz YMWJSNXPNPLHKF-CABCVRRESA-N 0 3 345.447 3.043 40 0 EGABHN CN(C)[C@H](CNC(=O)c1nc2ccccc2s1)c1ccccc1 ZINC000003260617 452753869 /nfs/dbraw/zinc/75/38/69/452753869.db2.gz QPZVOLNOWZGVHB-OAHLLOKOSA-N 0 3 325.437 3.329 40 0 EGABHN CCC(=O)O[C@H](CN)[C@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000003845399 452785082 /nfs/dbraw/zinc/78/50/82/452785082.db2.gz FLMGZJLLDPIYRL-IEBWSBKVSA-N 0 3 325.408 3.324 40 0 EGABHN CN1CCC[C@@H](OC(=O)[C@@H](c2ccccc2)C2(O)CCCCC2)C1 ZINC000005119317 452838501 /nfs/dbraw/zinc/83/85/01/452838501.db2.gz PPTLBEHNSNNAFL-QZTJIDSGSA-N 0 3 331.456 3.103 40 0 EGABHN CC(C)(CN1CCCCCC1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000005523821 452880894 /nfs/dbraw/zinc/88/08/94/452880894.db2.gz SFPYQDUHURWXTD-UHFFFAOYSA-N 0 3 344.908 3.273 40 0 EGABHN COc1cccc(CNC[C@H](C)O)c1OCc1ccccc1Cl ZINC000008498058 453209417 /nfs/dbraw/zinc/20/94/17/453209417.db2.gz VQPGLCRTSCHJNK-ZDUSSCGKSA-N 0 3 335.831 3.398 40 0 EGABHN CN1CCCC[C@@H]2[C@H]1CCN2C(=O)CCc1c[nH]c2ccccc12 ZINC000019712569 453658868 /nfs/dbraw/zinc/65/88/68/453658868.db2.gz RERANWOVJSLEOV-RTBURBONSA-N 0 3 325.456 3.186 40 0 EGABHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cnc(C)s1 ZINC000075324472 453879435 /nfs/dbraw/zinc/87/94/35/453879435.db2.gz ZSHYLTVBTPVXQZ-KRWDZBQOSA-N 0 3 343.496 3.436 40 0 EGABHN COc1cccc(NC(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000046062736 454213503 /nfs/dbraw/zinc/21/35/03/454213503.db2.gz STRRAUUJXGDLBI-UHFFFAOYSA-N 0 3 339.439 3.265 40 0 EGABHN COc1ccc([C@H](N)c2nc(COc3ccc(Cl)cc3)n[nH]2)cc1 ZINC000095533650 454230653 /nfs/dbraw/zinc/23/06/53/454230653.db2.gz IYDXTEPDVDZTBV-INIZCTEOSA-N 0 3 344.802 3.094 40 0 EGABHN CCOc1ccc([C@@H](N)c2n[nH]c(-c3ccc(F)cc3)n2)cc1OC ZINC000095534209 454230728 /nfs/dbraw/zinc/23/07/28/454230728.db2.gz JKCNNUDTQWEGSC-MRXNPFEDSA-N 0 3 342.374 3.066 40 0 EGABHN CCOc1ccc([C@@H](N)c2n[nH]c(-c3ccc(C)cc3)n2)cc1OC ZINC000095534313 454230744 /nfs/dbraw/zinc/23/07/44/454230744.db2.gz CDBYQNYZWXZBRC-QGZVFWFLSA-N 0 3 338.411 3.236 40 0 EGABHN Fc1cccnc1N[C@H]1CO[C@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096047634 454269804 /nfs/dbraw/zinc/26/98/04/454269804.db2.gz OSNRCXSBVAZSAT-RHSMWYFYSA-N 0 3 333.432 3.128 40 0 EGABHN Cc1ccc(C(=O)N2CCC3(CCN(Cc4cccnc4)C3)CC2)o1 ZINC000096046519 454270636 /nfs/dbraw/zinc/27/06/36/454270636.db2.gz KKRMVLQOVJMHIX-UHFFFAOYSA-N 0 3 339.439 3.111 40 0 EGABHN CN(Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1ccco1)CC2 ZINC000096047997 454271645 /nfs/dbraw/zinc/27/16/45/454271645.db2.gz YCMVVDRBPHZKPO-INIZCTEOSA-N 0 3 330.428 3.128 40 0 EGABHN Cc1ccc(CN2CC[C@H]3[C@H]2CC(=O)N3Cc2cccc(C)n2)s1 ZINC000096055762 454273834 /nfs/dbraw/zinc/27/38/34/454273834.db2.gz KQYSFQCJCDYOJZ-ZWKOTPCHSA-N 0 3 341.480 3.135 40 0 EGABHN Cn1cccc1CN1CC[C@]2(C1)CCCN(C(=O)c1cccs1)C2 ZINC000096158135 454295428 /nfs/dbraw/zinc/29/54/28/454295428.db2.gz WYGBSVSZNLMWAJ-IBGZPJMESA-N 0 3 343.496 3.215 40 0 EGABHN COCCO[C@@H]1CCN(Cc2c(C)noc2C)[C@H]1Cc1ccccc1 ZINC000096200073 454303172 /nfs/dbraw/zinc/30/31/72/454303172.db2.gz RQBUQQAKKIIQOF-VQTJNVASSA-N 0 3 344.455 3.140 40 0 EGABHN CCOC[C@H]1COCCC12CCN(Cc1ccccc1OC)CC2 ZINC000096205843 454304632 /nfs/dbraw/zinc/30/46/32/454304632.db2.gz YSGCWTWAQMGNBA-SFHVURJKSA-N 0 3 333.472 3.350 40 0 EGABHN Cc1noc(C[C@@H]2CO[C@@H]3CN(Cc4cccc5ccccc54)C[C@H]23)n1 ZINC000096216045 454306137 /nfs/dbraw/zinc/30/61/37/454306137.db2.gz LQVNYKLTTYXHNL-MISYRCLQSA-N 0 3 349.434 3.221 40 0 EGABHN COC(=O)N1CCC(NCc2csc(-c3cccs3)n2)CC1 ZINC000096403969 454322054 /nfs/dbraw/zinc/32/20/54/454322054.db2.gz SCHQTCRTGOTDQI-UHFFFAOYSA-N 0 3 337.470 3.192 40 0 EGABHN CCN1CCC(N(C(=O)c2ncoc2-c2cccs2)C2CC2)CC1 ZINC000096404784 454323774 /nfs/dbraw/zinc/32/37/74/454323774.db2.gz CVHDKKXGXLHPRT-UHFFFAOYSA-N 0 3 345.468 3.492 40 0 EGABHN Cn1cc([C@@](C)(O)CNCc2cc(C(F)(F)F)ccc2Cl)cn1 ZINC000096483940 454366031 /nfs/dbraw/zinc/36/60/31/454366031.db2.gz CNWJQROVWJVNSV-AWEZNQCLSA-N 0 3 347.768 3.090 40 0 EGABHN O[C@@H](CNC/C=C/c1ccco1)c1cc(Cl)c2c(c1)OCCO2 ZINC000096485906 454367254 /nfs/dbraw/zinc/36/72/54/454367254.db2.gz LTYFJQULQSEMDU-KZTTYJGESA-N 0 3 335.787 3.041 40 0 EGABHN O=S1(=O)CC[C@H](CNCc2ccc(-c3ccccc3)cc2F)C1 ZINC000096500114 454371837 /nfs/dbraw/zinc/37/18/37/454371837.db2.gz VRSPCTFQBRVPHZ-CQSZACIVSA-N 0 3 333.428 3.017 40 0 EGABHN Clc1cncc(CN2CCC3(CC(Nc4ncccn4)C3)CC2)c1 ZINC000108534944 454802504 /nfs/dbraw/zinc/80/25/04/454802504.db2.gz UZDHSPSLTQWABT-UHFFFAOYSA-N 0 3 343.862 3.382 40 0 EGABHN CN1CCC(N(Cc2ccco2)C(=O)c2ccc(Cl)cn2)CC1 ZINC000265638841 455354388 /nfs/dbraw/zinc/35/43/88/455354388.db2.gz VFELSUDPDKJJBE-UHFFFAOYSA-N 0 3 333.819 3.065 40 0 EGABHN CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(Cc4cnc[nH]4)[C@@H]3C[C@H]21 ZINC000257216620 455880594 /nfs/dbraw/zinc/88/05/94/455880594.db2.gz CVJYZUQRGUACMB-RWQQGDIJSA-N 0 3 339.439 3.301 40 0 EGABHN Cc1cc(Cl)c([C@@H](C)NC2CCN(S(C)(=O)=O)CC2)cc1C ZINC000195557619 455985198 /nfs/dbraw/zinc/98/51/98/455985198.db2.gz RJTAEKRQDACSGU-CYBMUJFWSA-N 0 3 344.908 3.031 40 0 EGABHN COc1ccccc1N1CCC[C@H](N[C@H](C)c2cnn(C)c2C)C1 ZINC000221347396 456042170 /nfs/dbraw/zinc/04/21/70/456042170.db2.gz STZJFBOMRWTQRE-ZBFHGGJFSA-N 0 3 328.460 3.057 40 0 EGABHN Cc1cc(N2CCC[C@H](N3CCOCC3)CC2)c2ccccc2n1 ZINC000518796197 458894406 /nfs/dbraw/zinc/89/44/06/458894406.db2.gz WFDDEWIPOXWGRY-KRWDZBQOSA-N 0 3 325.456 3.234 40 0 EGABHN CN(C)C/C=C/C(=O)N1CCC2(CC1)C[C@H](c1ccccc1)CCO2 ZINC000585289319 459833422 /nfs/dbraw/zinc/83/34/22/459833422.db2.gz HXXYYJJHQYFAHC-MBNRZODZSA-N 0 3 342.483 3.060 40 0 EGABHN CC(C)NCC(=O)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000659386676 461326715 /nfs/dbraw/zinc/32/67/15/461326715.db2.gz PZBVPGIFKRBGLH-OAHLLOKOSA-N 0 3 339.277 3.331 40 0 EGABHN COC(=O)c1ccccc1-c1ccc(CN2CCC(C)(O)CC2)o1 ZINC000186995811 534285887 /nfs/dbraw/zinc/28/58/87/534285887.db2.gz MPLGTSXIRQSCCL-UHFFFAOYSA-N 0 3 329.396 3.080 40 0 EGABHN O=C(NCc1ccc([O-])c(F)c1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000684805729 550371300 /nfs/dbraw/zinc/37/13/00/550371300.db2.gz PPJOLMZCEOZUKC-MRXNPFEDSA-N 0 3 349.450 3.128 40 0 EGABHN O=C(NCc1ccc([O-])c(F)c1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000684805729 550371301 /nfs/dbraw/zinc/37/13/01/550371301.db2.gz PPJOLMZCEOZUKC-MRXNPFEDSA-N 0 3 349.450 3.128 40 0 EGABHN COc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000040152245 213273463 /nfs/dbraw/zinc/27/34/63/213273463.db2.gz JUBWJBDSQPYENR-UHFFFAOYSA-N 0 3 345.418 3.430 40 0 EGABHN CC(=O)Nc1ccc(Oc2cncc(C3CCN(C)CC3)n2)cc1 ZINC000072361557 216166979 /nfs/dbraw/zinc/16/69/79/216166979.db2.gz GASGGVATJMRZPN-UHFFFAOYSA-N 0 3 326.400 3.037 40 0 EGABHN O=C(Nc1cnccn1)c1cccc([C@H]2CCCN2C2CCCC2)n1 ZINC000072355773 216164436 /nfs/dbraw/zinc/16/44/36/216164436.db2.gz BAYAJWYHUAYCGV-QGZVFWFLSA-N 0 3 337.427 3.203 40 0 EGABHN Cc1cc(CCC(=O)Nc2cn[nH]c2)cc([C@@H]2CCCN2C(C)C)n1 ZINC000072366851 216172792 /nfs/dbraw/zinc/17/27/92/216172792.db2.gz BQVQMHWXCGRPQH-SFHVURJKSA-N 0 3 341.459 3.230 40 0 EGABHN Cc1ccc(NC(=O)CCc2cc(C)nc([C@H]3CCCN3C)c2)nc1 ZINC000072366964 216173475 /nfs/dbraw/zinc/17/34/75/216173475.db2.gz FERHRFVVGXQOCE-GOSISDBHSA-N 0 3 338.455 3.431 40 0 EGABHN Cn1nc(CCNCc2ccc(Br)o2)c2ccccc21 ZINC000191615110 239213996 /nfs/dbraw/zinc/21/39/96/239213996.db2.gz UNJMRBQIUBRBGF-UHFFFAOYSA-N 0 3 334.217 3.261 40 0 EGABHN COc1ccc([C@@H](CNC(=O)/C=C/c2cccs2)N(C)C)cc1 ZINC000022414402 212295427 /nfs/dbraw/zinc/29/54/27/212295427.db2.gz PNFYMAIUVAXZND-SXSDINLZSA-N 0 3 330.453 3.189 40 0 EGABHN Cc1cc(C)n2ncc(CN3CCC[C@@H](Cc4cccnc4)C3)c2n1 ZINC000257255963 244280913 /nfs/dbraw/zinc/28/09/13/244280913.db2.gz KJOUUEATXLRZDO-SFHVURJKSA-N 0 3 335.455 3.196 40 0 EGABHN CN(C)c1ncccc1CN1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 ZINC000019719787 212057369 /nfs/dbraw/zinc/05/73/69/212057369.db2.gz JWWTVFSZZVAWLY-MRXNPFEDSA-N 0 3 349.482 3.479 40 0 EGABHN CCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C)C1 ZINC000019528727 212039706 /nfs/dbraw/zinc/03/97/06/212039706.db2.gz WWNDVZCWVMALKD-FQEVSTJZSA-N 0 3 341.455 3.041 40 0 EGABHN C[C@@H]1C[C@H]1C(=O)N(C)C1CCC2(CC1)CN(C)Cc1ccccc1O2 ZINC000019462660 212030925 /nfs/dbraw/zinc/03/09/25/212030925.db2.gz XYXLQFRGOUIUPI-XTIMDLJNSA-N 0 3 342.483 3.307 40 0 EGABHN C[C@@H](NCc1cccc(O)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000078553337 217075050 /nfs/dbraw/zinc/07/50/50/217075050.db2.gz PVNPNLNGIDTPIW-OAHLLOKOSA-N 0 3 343.446 3.134 40 0 EGABHN CN1CCC(Oc2ccc(CNC(=O)c3cccs3)cc2)CC1 ZINC000078578756 217079212 /nfs/dbraw/zinc/07/92/12/217079212.db2.gz UVEKZCAFEPHCEM-UHFFFAOYSA-N 0 3 330.453 3.151 40 0 EGABHN CC(C)(C)n1cc(CNC[C@H](O)c2cccc(C(F)(F)F)c2)cn1 ZINC000078663124 217097022 /nfs/dbraw/zinc/09/70/22/217097022.db2.gz GOILBOANWLXRNA-HNNXBMFYSA-N 0 3 341.377 3.480 40 0 EGABHN CC(C)CN[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000017084905 211954196 /nfs/dbraw/zinc/95/41/96/211954196.db2.gz YWOIINXTWYFLGQ-SFHVURJKSA-N 0 3 338.407 3.356 40 0 EGABHN C=Cn1cc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)c(C)n1 ZINC000012345372 211351840 /nfs/dbraw/zinc/35/18/40/211351840.db2.gz QGAFNKSMCJVQNZ-YOFSQIOKSA-N 0 3 341.430 3.446 40 0 EGABHN c1cc(CN2CCC3(C[C@@H](Oc4ccccn4)CO3)CC2)cs1 ZINC000096106956 218599026 /nfs/dbraw/zinc/59/90/26/218599026.db2.gz IGXSPZKSZNLWNH-MRXNPFEDSA-N 0 3 330.453 3.346 40 0 EGABHN COc1cccc(CN2Cc3cc(C)ccc3OC[C@@H]2CN(C)C)c1 ZINC000019219388 274145834 /nfs/dbraw/zinc/14/58/34/274145834.db2.gz AUVQCUPORIJMMK-IBGZPJMESA-N 0 3 340.467 3.328 40 0 EGABHN C[C@H]1C[C@H](NCc2ccc([S@](C)=O)cc2)CN1c1ccccc1 ZINC000085330552 274624338 /nfs/dbraw/zinc/62/43/38/274624338.db2.gz XBRDIAKRCDIBDP-WSZRMNBISA-N 0 3 328.481 3.181 40 0 EGABHN O=C(SCCN1CCCC1)[C@@](O)(c1ccccc1)C1CCCC1 ZINC000006581979 452957428 /nfs/dbraw/zinc/95/74/28/452957428.db2.gz LFSDSEBODSFFKT-LJQANCHMSA-N 0 3 333.497 3.420 40 0 EGABHN COc1ccc([C@@H](CNc2ncnc3sccc32)N(C)C)cc1 ZINC000008063236 453156035 /nfs/dbraw/zinc/15/60/35/453156035.db2.gz NCKGMZCMILBDJA-OAHLLOKOSA-N 0 3 328.441 3.415 40 0 EGABHN O[C@]1(c2cccnc2)CCC[C@H]2CN(Cc3c(F)cccc3F)C[C@@H]21 ZINC000012337141 453356013 /nfs/dbraw/zinc/35/60/13/453356013.db2.gz SWBIKSIPDQMZTB-VHFSOBRXSA-N 0 3 344.405 3.480 40 0 EGABHN COc1ccc2c(CN(C)CCOc3ccccc3)cc(=O)oc2c1 ZINC000012997182 453436975 /nfs/dbraw/zinc/43/69/75/453436975.db2.gz XIUOWXOXSXLXBM-UHFFFAOYSA-N 0 3 339.391 3.312 40 0 EGABHN CCCN1C[C@H](C[S@@](C)=O)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000022065718 453686267 /nfs/dbraw/zinc/68/62/67/453686267.db2.gz WOIHSNDTPKFAJW-WAUXWYCISA-N 0 3 330.497 3.287 40 0 in-vitro EGABHN Cc1ccsc1[C@H](C)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000095422330 454208360 /nfs/dbraw/zinc/20/83/60/454208360.db2.gz CUIUHKVIQKFLJP-ZDUSSCGKSA-N 0 3 338.498 3.303 40 0 EGABHN C[C@@H]1C[C@@H](OC[C@H](O)CN(CCO)Cc2ccccc2)CC(C)(C)C1 ZINC000095532670 454230706 /nfs/dbraw/zinc/23/07/06/454230706.db2.gz FKQLTXLKHRPMII-MISYRCLQSA-N 0 3 349.515 3.073 40 0 EGABHN COc1ccc(CN2CC3(C2)CCN(Cc2ccsc2)C3)cc1 ZINC000096046487 454270420 /nfs/dbraw/zinc/27/04/20/454270420.db2.gz COKRPUXYQCOQIE-UHFFFAOYSA-N 0 3 328.481 3.465 40 0 EGABHN c1cc(CN2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)cs1 ZINC000096048243 454271504 /nfs/dbraw/zinc/27/15/04/454271504.db2.gz RYGMJMVSWIKWKK-ROUUACIJSA-N 0 3 330.453 3.346 40 0 EGABHN Cc1ccc(CN2CCC3(CC[C@H](C(=O)N4CCCC4)O3)CC2)s1 ZINC000096061234 454276022 /nfs/dbraw/zinc/27/60/22/454276022.db2.gz MLXVVDWQKWMWKP-QGZVFWFLSA-N 0 3 348.512 3.193 40 0 EGABHN c1cc(CN2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)co1 ZINC000096065135 454278043 /nfs/dbraw/zinc/27/80/43/454278043.db2.gz LWRLQBVZLISGFY-WOJBJXKFSA-N 0 3 342.439 3.263 40 0 EGABHN c1csc(CN2CC[C@@]3(C2)COCCN(Cc2ccoc2)C3)c1 ZINC000096087617 454280085 /nfs/dbraw/zinc/28/00/85/454280085.db2.gz QKQRLVGGYGBEPI-SFHVURJKSA-N 0 3 332.469 3.066 40 0 EGABHN c1cc(CN2CCC3(CO[C@@H](COCC4CCOCC4)C3)CC2)co1 ZINC000096106064 454283566 /nfs/dbraw/zinc/28/35/66/454283566.db2.gz SCKJYABAGFTROS-LJQANCHMSA-N 0 3 349.471 3.094 40 0 EGABHN Cc1oncc1C(=O)N1CC[C@@]2(C1)CCCN(Cc1cccs1)C2 ZINC000096158014 454293896 /nfs/dbraw/zinc/29/38/96/454293896.db2.gz GKZSAHUYEUOXDK-SFHVURJKSA-N 0 3 345.468 3.173 40 0 EGABHN Cc1ccc(CN2CCC3(CC2)NC(=O)C[C@H]3c2ccncc2)s1 ZINC000096199909 454303121 /nfs/dbraw/zinc/30/31/21/454303121.db2.gz CVBQGGBFGYTDCM-KRWDZBQOSA-N 0 3 341.480 3.090 40 0 EGABHN Cc1ccc(CN2CC[C@@]3(CC(=O)N(c4ccccn4)C3)C2)s1 ZINC000096239146 454309936 /nfs/dbraw/zinc/30/99/36/454309936.db2.gz KOOAVHGAMYWYIA-GOSISDBHSA-N 0 3 327.453 3.081 40 0 EGABHN COc1ccsc1C(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000096432970 454343461 /nfs/dbraw/zinc/34/34/61/454343461.db2.gz FKEPDRSEXPUFSG-MRXNPFEDSA-N 0 3 344.480 3.351 40 0 EGABHN CSc1ccc(NC(=O)N(C)C[C@@H]2CCCN(C)C2)cc1F ZINC000096435401 454346895 /nfs/dbraw/zinc/34/68/95/454346895.db2.gz WRJISHMSJNQJDR-GFCCVEGCSA-N 0 3 325.453 3.353 40 0 EGABHN CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H](O)c1ccsc1 ZINC000096437272 454348319 /nfs/dbraw/zinc/34/83/19/454348319.db2.gz URMHEWFCJDLUCO-HNNXBMFYSA-N 0 3 344.436 3.019 40 0 EGABHN CC(C)N(C)CC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000096473946 454361793 /nfs/dbraw/zinc/36/17/93/454361793.db2.gz RLDSYULGAVUMOI-GOSISDBHSA-N 0 3 331.847 3.281 40 0 EGABHN CC(C)N(C)CC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000096473944 454362110 /nfs/dbraw/zinc/36/21/10/454362110.db2.gz RLDSYULGAVUMOI-SFHVURJKSA-N 0 3 331.847 3.281 40 0 EGABHN COc1cc(OC)cc(N2CCC(N[C@H](C)c3ccccn3)CC2)c1 ZINC000096487618 454367435 /nfs/dbraw/zinc/36/74/35/454367435.db2.gz HMOVSRNFVOKKKW-OAHLLOKOSA-N 0 3 341.455 3.418 40 0 EGABHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Nc1c(F)cc(F)cc1Cl ZINC000245289788 455281579 /nfs/dbraw/zinc/28/15/79/455281579.db2.gz FDJVTCHRMWLIHS-TVQRCGJNSA-N 0 3 331.794 3.422 40 0 EGABHN CO[C@@H](CN1CCC[C@@H](CNC(=O)C(C)(C)C)C1)c1ccccc1 ZINC000252488336 455810820 /nfs/dbraw/zinc/81/08/20/455810820.db2.gz IPIYFOPSGGSSEO-WMZOPIPTSA-N 0 3 332.488 3.248 40 0 EGABHN C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCCC[C@H]2O)CCN1Cc1ccccc1 ZINC000253418506 455842930 /nfs/dbraw/zinc/84/29/30/455842930.db2.gz SISXWYHCAQGLEF-BTHPGYMESA-N 0 3 344.499 3.097 40 0 EGABHN CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(C2CCCC2)C1 ZINC000257276426 455879887 /nfs/dbraw/zinc/87/98/87/455879887.db2.gz NTSIIHZMJONEDW-GFCCVEGCSA-N 0 3 344.484 3.125 40 0 EGABHN Cn1cc(CCC(=O)N2CC[C@@H]3[C@H]2CCCCN3C)c2ccccc21 ZINC000257307402 455887303 /nfs/dbraw/zinc/88/73/03/455887303.db2.gz SYMQVJWWTSQSJE-WOJBJXKFSA-N 0 3 339.483 3.196 40 0 EGABHN Cc1csc([C@@H](C)N[C@@H](C)CCN2C(=O)c3ccccc3C2=O)n1 ZINC000195566390 455986239 /nfs/dbraw/zinc/98/62/39/455986239.db2.gz IDBWXOQZXQLZLH-WCQYABFASA-N 0 3 343.452 3.177 40 0 EGABHN COc1ccc(CN2CCC[C@@]3(CCC(=O)N3CCF)CC2)cc1 ZINC000585100809 459822921 /nfs/dbraw/zinc/82/29/21/459822921.db2.gz XHFGVTIGMBYCKZ-LJQANCHMSA-N 0 3 334.435 3.012 40 0 EGABHN Cc1ccc(C)c(CN2CCOC[C@@]3(CC(=O)N(CC(C)C)C3)C2)c1 ZINC000585103940 459824317 /nfs/dbraw/zinc/82/43/17/459824317.db2.gz HKKWHYZTWIVVSY-NRFANRHFSA-N 0 3 344.499 3.010 40 0 EGABHN CC[C@H]1CN(CCn2cccn2)CCN1C/C(C)=C/c1ccccc1 ZINC000678250400 549444615 /nfs/dbraw/zinc/44/46/15/549444615.db2.gz BMRRZDFLHCCNHB-HCUHUEOSSA-N 0 3 338.499 3.383 40 0 EGABHN CC(C)(C)OC(=O)N1CCC2(CC1)CNC[C@@H](c1ccccc1)O2 ZINC000203809978 574980184 /nfs/dbraw/zinc/98/01/84/574980184.db2.gz RTRGDMDCYYYUCI-INIZCTEOSA-N 0 3 332.444 3.117 40 0 EGABHN Cn1cc(CC(=O)N2CCC[C@H]2CN2CCCCC2)c2ccccc21 ZINC000068131886 215280615 /nfs/dbraw/zinc/28/06/15/215280615.db2.gz OHJNJORPRINQKZ-SFHVURJKSA-N 0 3 339.483 3.198 40 0 EGABHN Clc1ccccc1CN1CCC[C@@H](c2[nH]nc3nccnc32)C1 ZINC000072393829 216193138 /nfs/dbraw/zinc/19/31/38/216193138.db2.gz QVMLEOXPOLELDG-CYBMUJFWSA-N 0 3 327.819 3.386 40 0 EGABHN Cc1ccc(NC(=O)CSCc2ccncc2)c(CN(C)C)c1 ZINC000072840989 216314806 /nfs/dbraw/zinc/31/48/06/216314806.db2.gz ZRHZCQTWKWLVLW-UHFFFAOYSA-N 0 3 329.469 3.324 40 0 EGABHN C[C@@H](N[C@H](C)c1ccc(-c2cncnc2)cc1)C(=O)NC(C)(C)C ZINC000073411634 216383884 /nfs/dbraw/zinc/38/38/84/216383884.db2.gz QSXVXFSKBQSHQW-ZIAGYGMSSA-N 0 3 326.444 3.097 40 0 EGABHN CCOc1ccc(C(=O)NCC2CCN(Cc3ccco3)CC2)cc1 ZINC000023128028 212352380 /nfs/dbraw/zinc/35/23/80/212352380.db2.gz SFTOFSAJVOJUFM-UHFFFAOYSA-N 0 3 342.439 3.320 40 0 EGABHN CCN1CCN(CCC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000021486250 212226187 /nfs/dbraw/zinc/22/61/87/212226187.db2.gz MXDPKQDJWVJQNG-UHFFFAOYSA-N 0 3 337.467 3.320 40 0 EGABHN Cc1nc(C)c(C(=O)N2CC[C@H](c3cc(N(C)C)cc(C)n3)C2)s1 ZINC000257231288 244213639 /nfs/dbraw/zinc/21/36/39/244213639.db2.gz GGAOPQDUUACSBZ-AWEZNQCLSA-N 0 3 344.484 3.159 40 0 EGABHN CC(=O)NCc1cc([C@@H]2CCCN2Cc2ccc(C)s2)ccn1 ZINC000257268390 244366258 /nfs/dbraw/zinc/36/62/58/244366258.db2.gz MLLYUNGGVTVMKP-SFHVURJKSA-N 0 3 329.469 3.425 40 0 EGABHN CCOC(=O)[C@H]1CN(Cc2ccccc2)C[C@@]12Cc1ccccc1C2=O ZINC000019530470 212039177 /nfs/dbraw/zinc/03/91/77/212039177.db2.gz WWALFQLIWFZCOO-KNQAVFIVSA-N 0 3 349.430 3.107 40 0 EGABHN CCN1CCC[C@@H]1CN(Cc1nc2ccccc2[nH]1)Cc1ccccn1 ZINC000019527145 212037501 /nfs/dbraw/zinc/03/75/01/212037501.db2.gz WPFZJUAERDKAKT-GOSISDBHSA-N 0 3 349.482 3.444 40 0 EGABHN C[C@H]1C[C@H]1C(=O)N(C)C1CCC2(CC1)CN(C)Cc1ccccc1O2 ZINC000019462662 212030930 /nfs/dbraw/zinc/03/09/30/212030930.db2.gz XYXLQFRGOUIUPI-JJXOGSGTSA-N 0 3 342.483 3.307 40 0 EGABHN C[C@@H](CN1CCc2nc([C@@H]3CCCCN3)ncc2C1)c1ccccc1 ZINC000019456385 212029268 /nfs/dbraw/zinc/02/92/68/212029268.db2.gz QFPMVKDOFNKWCF-JXFKEZNVSA-N 0 3 336.483 3.453 40 0 EGABHN C[C@H](NC/C=C/c1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000078979860 217164268 /nfs/dbraw/zinc/16/42/68/217164268.db2.gz UCHZHHLJMMPEND-VSGCLNPGSA-N 0 3 330.453 3.422 40 0 EGABHN CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1COc2ccccc21 ZINC000079309497 217205637 /nfs/dbraw/zinc/20/56/37/217205637.db2.gz YXJLKIUQFQFLGW-INIZCTEOSA-N 0 3 336.391 3.358 40 0 EGABHN COc1ccc([C@H]2[C@H](CNC(=O)c3ccoc3)CCCN2C)cc1 ZINC000079358333 217215367 /nfs/dbraw/zinc/21/53/67/217215367.db2.gz KHUKBMRDWWBWLO-YJBOKZPZSA-N 0 3 328.412 3.101 40 0 EGABHN C=Cn1cc(CN2CCC[C@@](O)(c3ccc(F)cc3)CC2)c(C)n1 ZINC000012188830 211315718 /nfs/dbraw/zinc/31/57/18/211315718.db2.gz PTZNOQQLVRKPJB-IBGZPJMESA-N 0 3 329.419 3.305 40 0 EGABHN C[C@@H](NCCOc1ccc(F)cc1F)c1ccc([S@](C)=O)cc1 ZINC000095423593 218366359 /nfs/dbraw/zinc/36/63/59/218366359.db2.gz YIFAOOGNRFZBDY-SFDCACGMSA-N 0 3 339.407 3.432 40 0 EGABHN O=C1NCCCC12CCN(Cc1ccccc1N1CCCCC1)CC2 ZINC000012132393 296365044 /nfs/dbraw/zinc/36/50/44/296365044.db2.gz IVQNWRSVEGQQCD-UHFFFAOYSA-N 0 3 341.499 3.169 40 0 EGABHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NCc1ccc(Cl)cn1 ZINC000097379791 219020430 /nfs/dbraw/zinc/02/04/30/219020430.db2.gz JOUJQYFLIIHUSD-UONOGXRCSA-N 0 3 325.840 3.270 40 0 EGABHN Cc1ccc2c(c1)CN(Cc1cccc(F)c1)[C@H](CN(C)C)CO2 ZINC000019219382 281071022 /nfs/dbraw/zinc/07/10/22/281071022.db2.gz RXJBWSOUBUCEQV-LJQANCHMSA-N 0 3 328.431 3.459 40 0 EGABHN COc1cccc(F)c1[C@H](C)NC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000097234427 323215198 /nfs/dbraw/zinc/21/51/98/323215198.db2.gz GZCPEZKKRYGDDM-LZWOXQAQSA-N 0 3 349.450 3.021 40 0 EGABHN Cc1n[nH]cc1[C@@H](C)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000180847510 455255314 /nfs/dbraw/zinc/25/53/14/455255314.db2.gz ZVKMZVYRPYPLMF-ACJLOTCBSA-N 0 3 348.878 3.096 40 0 EGABHN COc1ccc2c(c1OC)[C@]1(CCN(C)C)CC(=O)CC[C@@H]1C=C2 ZINC000001560175 452667834 /nfs/dbraw/zinc/66/78/34/452667834.db2.gz ZZYRTKUDKQIIKW-MGPUTAFESA-N 0 3 329.440 3.289 40 0 EGABHN CCN(Cc1ccccc1)C[C@H](O)COc1ccc(C(C)=O)cc1 ZINC000001475570 452668595 /nfs/dbraw/zinc/66/85/95/452668595.db2.gz KXAMIVMIZWCHGN-IBGZPJMESA-N 0 3 327.424 3.151 40 0 EGABHN CCCC/C=C/[C@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccccc1 ZINC000005781980 452901379 /nfs/dbraw/zinc/90/13/79/452901379.db2.gz JKPUZMZDECKYBD-JFUHVDNBSA-N 0 3 343.467 3.258 40 0 EGABHN Clc1ccc2c(c1)[C@H](c1ccccc1)N=C(N1CCOCC1)N2 ZINC000005775317 452902257 /nfs/dbraw/zinc/90/22/57/452902257.db2.gz CWNKKEHBCMFZEF-KRWDZBQOSA-N 0 3 327.815 3.352 40 0 EGABHN CC1CCN([C@@H](CNc2ncnc3n[nH]cc32)c2cccs2)CC1 ZINC000012547870 453372234 /nfs/dbraw/zinc/37/22/34/453372234.db2.gz XJPDAJKUZSHDSG-AWEZNQCLSA-N 0 3 342.472 3.300 40 0 EGABHN Cc1nccn1-c1ccc(CN(CCN(C)C)Cc2ccccn2)cc1 ZINC000019288250 453655435 /nfs/dbraw/zinc/65/54/35/453655435.db2.gz ANWIUFWQAKCAAM-UHFFFAOYSA-N 0 3 349.482 3.140 40 0 EGABHN Cc1ccccc1N1CCN(C[C@@H](O)c2cn(C)c3ccccc23)CC1 ZINC000019237306 453655522 /nfs/dbraw/zinc/65/55/22/453655522.db2.gz ROPKIKISKPFWKN-JOCHJYFZSA-N 0 3 349.478 3.342 40 0 EGABHN O=C(NCCCN1CCc2ccccc2C1)c1cc2c(s1)CCC2 ZINC000032400195 453870230 /nfs/dbraw/zinc/87/02/30/453870230.db2.gz JDIBEMQHMHXSFQ-UHFFFAOYSA-N 0 3 340.492 3.415 40 0 EGABHN CCOc1ccc([C@@H]2SC(=N)N[C@@H]2[C@H](O)c2ccccc2)cc1 ZINC000033746452 453917428 /nfs/dbraw/zinc/91/74/28/453917428.db2.gz VVRSZSPECIFBQS-ZACQAIPSSA-N 0 3 328.437 3.290 40 0 EGABHN Cc1ccc(CN2CC[C@@]3(C2)CCCN(Cc2ccccn2)C3)o1 ZINC000096046947 454270406 /nfs/dbraw/zinc/27/04/06/454270406.db2.gz GQLFXZFTIZQMRY-FQEVSTJZSA-N 0 3 325.456 3.471 40 0 EGABHN Fc1ccc(-c2ncnc3c2CCN(Cc2cccnc2)CC3)cc1 ZINC000096058705 454275982 /nfs/dbraw/zinc/27/59/82/454275982.db2.gz MFSMFCSHOZOJKC-UHFFFAOYSA-N 0 3 334.398 3.279 40 0 EGABHN Cc1ncsc1CN1CCC2(C[C@H](Oc3ccccn3)CO2)CC1 ZINC000096106994 454284383 /nfs/dbraw/zinc/28/43/83/454284383.db2.gz WIKTXCJCRVNPPR-HNNXBMFYSA-N 0 3 345.468 3.049 40 0 EGABHN Cc1oncc1C(=O)N1CC[C@]2(C1)CCCN(Cc1cccs1)C2 ZINC000096158015 454294036 /nfs/dbraw/zinc/29/40/36/454294036.db2.gz GKZSAHUYEUOXDK-GOSISDBHSA-N 0 3 345.468 3.173 40 0 EGABHN Cc1cccc(CN2CCC[C@]3(CCN(C(=O)CC(C)C)C3)C2)n1 ZINC000096216244 454305956 /nfs/dbraw/zinc/30/59/56/454305956.db2.gz RYYBLPLHAOSELH-FQEVSTJZSA-N 0 3 329.488 3.251 40 0 EGABHN CN(Cc1cccnc1)C[C@H]1CC12CCN(C(=O)c1ccco1)CC2 ZINC000096238325 454310383 /nfs/dbraw/zinc/31/03/83/454310383.db2.gz OLJWJFCYEDWVGG-QGZVFWFLSA-N 0 3 339.439 3.049 40 0 EGABHN c1csc(CN2CC[C@H]3OCCN(Cc4cccnc4)[C@H]3CC2)c1 ZINC000096249376 454312057 /nfs/dbraw/zinc/31/20/57/454312057.db2.gz GKRSPYBYFOQTEJ-RBUKOAKNSA-N 0 3 343.496 3.009 40 0 EGABHN COc1ccc(CNCC2=Cc3ccccc3OC2)cc1NC(C)=O ZINC000096403163 454322704 /nfs/dbraw/zinc/32/27/04/454322704.db2.gz KFUICJAMFHRNFJ-UHFFFAOYSA-N 0 3 338.407 3.219 40 0 EGABHN CC(C)[C@H](C(=O)Nc1ccc(OCC2CCOCC2)cc1)N(C)C ZINC000096413198 454330243 /nfs/dbraw/zinc/33/02/43/454330243.db2.gz URCGSMYDXIVRII-GOSISDBHSA-N 0 3 334.460 3.017 40 0 EGABHN C[C@@H]1C[C@H](C)CN(CCNC(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC000096414279 454331324 /nfs/dbraw/zinc/33/13/24/454331324.db2.gz DXCYJKXBVNVWOV-OKILXGFUSA-N 0 3 347.484 3.040 40 0 EGABHN Cc1ccc(CNCc2cccc3c[nH]nc32)c(O[C@H]2CCOC2)c1 ZINC000096466790 454360367 /nfs/dbraw/zinc/36/03/67/454360367.db2.gz DCBISBHIVSFSIL-SFHVURJKSA-N 0 3 337.423 3.329 40 0 EGABHN Cc1cccc(-c2noc(CN3CCN(CCC(C)C)CC3)n2)c1 ZINC000048365827 454480151 /nfs/dbraw/zinc/48/01/51/454480151.db2.gz SXBQBNUVXISFTK-UHFFFAOYSA-N 0 3 328.460 3.209 40 0 EGABHN Cc1cc(C)c(C(=O)N(C)C2CCN(CCc3ccccn3)CC2)o1 ZINC000176312702 454727584 /nfs/dbraw/zinc/72/75/84/454727584.db2.gz KRGZQLNHZBVNID-UHFFFAOYSA-N 0 3 341.455 3.071 40 0 EGABHN Cc1cccnc1CN1CCC2(CC(NC(=O)c3ccsc3)C2)C1 ZINC000108531781 454801220 /nfs/dbraw/zinc/80/12/20/454801220.db2.gz YROMGXHRGQWZMA-UHFFFAOYSA-N 0 3 341.480 3.236 40 0 EGABHN COc1ccc([C@@H](CO)N(C)C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000110640917 454850543 /nfs/dbraw/zinc/85/05/43/454850543.db2.gz YVOCTSKKMBDQMR-MSOLQXFVSA-N 0 3 335.831 3.047 40 0 EGABHN C[C@@H](NCc1ccnc(N2CCO[C@H](C)C2)c1)c1cccc(F)c1 ZINC000110688722 454851444 /nfs/dbraw/zinc/85/14/44/454851444.db2.gz WAWFYCZEFQWQGU-HUUCEWRRSA-N 0 3 329.419 3.297 40 0 EGABHN Cn1ccnc1[C@@H](NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC1 ZINC000127633341 454983643 /nfs/dbraw/zinc/98/36/43/454983643.db2.gz DYVQBLGENUZNRC-UGSOOPFHSA-N 0 3 346.425 3.266 40 0 EGABHN c1csc(CN2CC[C@@H]3[C@H](CC2)OCCN3Cc2cccnc2)c1 ZINC000247820986 455647621 /nfs/dbraw/zinc/64/76/21/455647621.db2.gz GKRSPYBYFOQTEJ-MOPGFXCFSA-N 0 3 343.496 3.009 40 0 EGABHN Cc1cccnc1[C@@H]1CCC[C@@]2(C1)NC(=N)Nc1nc3ccccc3n12 ZINC000252498344 455814588 /nfs/dbraw/zinc/81/45/88/455814588.db2.gz QZFHGTFQYWCUMX-JLTOFOAXSA-N 0 3 346.438 3.300 40 0 EGABHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2cc(C)ncc2C)cc1 ZINC000253418422 455842082 /nfs/dbraw/zinc/84/20/82/455842082.db2.gz VIYSKFIWSLJPPR-GOSISDBHSA-N 0 3 342.443 3.131 40 0 EGABHN Cc1ccnc([C@H]2CCN(Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257228445 455880437 /nfs/dbraw/zinc/88/04/37/455880437.db2.gz FTWPIPXVXMWAMZ-ZDUSSCGKSA-N 0 3 325.441 3.226 40 0 EGABHN Cc1noc(C)c1-c1cc(C[C@@H]2CCN(Cc3ccncc3)C2)ncn1 ZINC000257288687 455884260 /nfs/dbraw/zinc/88/42/60/455884260.db2.gz PVEIBDWQRQJGBS-KRWDZBQOSA-N 0 3 349.438 3.208 40 0 EGABHN CO[C@H]1CCCOC12CCN(Cc1ccc3ncccc3c1)CC2 ZINC000257308676 455887708 /nfs/dbraw/zinc/88/77/08/455887708.db2.gz TXRIYJJYJNUNBQ-IBGZPJMESA-N 0 3 326.440 3.395 40 0 EGABHN Cn1cncc1-c1cc(CC2CCN(Cc3cccnc3)CC2)ccn1 ZINC000257321156 455890959 /nfs/dbraw/zinc/89/09/59/455890959.db2.gz WAHZBNGATOPRMC-UHFFFAOYSA-N 0 3 347.466 3.332 40 0 EGABHN Cc1c(NC(=O)CNC[C@@H]2CCCO2)cccc1OC1CCCC1 ZINC000195543423 455982573 /nfs/dbraw/zinc/98/25/73/455982573.db2.gz AAFIETLFRNSLGX-INIZCTEOSA-N 0 3 332.444 3.024 40 0 EGABHN N[C@H](Cc1ccccc1)C(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000195542479 455983001 /nfs/dbraw/zinc/98/30/01/455983001.db2.gz KLEVRZSIYHMWCN-PKOBYXMFSA-N 0 3 340.492 3.197 40 0 EGABHN O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1NCc1cccnc1 ZINC000585289401 459833152 /nfs/dbraw/zinc/83/31/52/459833152.db2.gz QPJYISPRFTYNPI-RCCFBDPRSA-N 0 3 332.831 3.186 40 0 EGABHN O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1NCc1cccc(F)c1 ZINC000585288781 459833707 /nfs/dbraw/zinc/83/37/07/459833707.db2.gz IZYMIDABLRFHRT-IPMKNSEASA-N 0 3 333.378 3.415 40 0 EGABHN CCN(CC)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)c([O-])c1 ZINC000090686066 546660381 /nfs/dbraw/zinc/66/03/81/546660381.db2.gz YROCVBBXKXSISH-QAPCUYQASA-N 0 3 347.503 3.041 40 0 EGABHN CCN(CC)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c([O-])c1 ZINC000090686066 546660384 /nfs/dbraw/zinc/66/03/84/546660384.db2.gz YROCVBBXKXSISH-QAPCUYQASA-N 0 3 347.503 3.041 40 0 EGABHN Fc1ccc(CN2C[C@@H]3c4ncc(-c5cccnc5)n4C[C@@H]3C2)cc1 ZINC000306129617 547459785 /nfs/dbraw/zinc/45/97/85/547459785.db2.gz IIGCIKXSOAARGS-WMZOPIPTSA-N 0 3 334.398 3.313 40 0 EGABHN O=C(Nc1ccccc1OC1CCCC1)N1CC[C@H](N2CC=CC2)C1 ZINC000102716754 219224620 /nfs/dbraw/zinc/22/46/20/219224620.db2.gz SHJHKPSQVLTVJC-INIZCTEOSA-N 0 3 341.455 3.486 40 0 EGABHN COC(=O)c1c(C)c(C)sc1NC(=O)CCN1CCC(C)CC1 ZINC000003267118 209993117 /nfs/dbraw/zinc/99/31/17/209993117.db2.gz GHOCKEGCJPMNBE-UHFFFAOYSA-N 0 3 338.473 3.212 40 0 EGABHN CC(C)(C)c1ncc(CNCCc2nnc3n2CCCCC3)s1 ZINC000067698422 215189989 /nfs/dbraw/zinc/18/99/89/215189989.db2.gz DTTOILNDRBYFFJ-UHFFFAOYSA-N 0 3 333.505 3.091 40 0 EGABHN O=C(Cc1cccc(Cl)c1)NCCCN1CCc2ccccc2C1 ZINC000067809642 215218196 /nfs/dbraw/zinc/21/81/96/215218196.db2.gz HZNLCDXJWDHGAL-UHFFFAOYSA-N 0 3 342.870 3.447 40 0 EGABHN CN1CCN(C[C@@H](NCc2ccc(F)c(F)c2)c2ccccc2)CC1 ZINC000069171403 215366950 /nfs/dbraw/zinc/36/69/50/215366950.db2.gz DYYJICILIIQTRR-HXUWFJFHSA-N 0 3 345.437 3.043 40 0 EGABHN O[C@@H](CN1CCC(c2nc3ccccc3[nH]2)CC1)CC(F)(F)F ZINC000189662696 237116934 /nfs/dbraw/zinc/11/69/34/237116934.db2.gz SWOUQAQHNKCJKV-GFCCVEGCSA-N 0 3 327.350 3.056 40 0 EGABHN COc1ccc(CN2CCC[C@@H](c3nccnc3-n3ccnc3)C2)cc1 ZINC000072350512 216162017 /nfs/dbraw/zinc/16/20/17/216162017.db2.gz LXRWHWPFZBZOFZ-QGZVFWFLSA-N 0 3 349.438 3.051 40 0 EGABHN COc1cccc(CNCCN(C)C)c1OCc1ccc(F)cc1 ZINC000022075327 212276299 /nfs/dbraw/zinc/27/62/99/212276299.db2.gz MZYBYQYOELFYBP-UHFFFAOYSA-N 0 3 332.419 3.065 40 0 EGABHN CC(C)[C@H](N)c1nnc2ccc(-c3ccc(Br)cc3)nn21 ZINC000217566055 241258962 /nfs/dbraw/zinc/25/89/62/241258962.db2.gz MNQWOTDROBRFOA-AWEZNQCLSA-N 0 3 346.232 3.210 40 0 EGABHN CN(CCCNC(=O)COc1ccccc1Cl)Cc1ccccc1 ZINC000021939005 212265484 /nfs/dbraw/zinc/26/54/84/212265484.db2.gz QCMHZBUCCPSTBC-UHFFFAOYSA-N 0 3 346.858 3.357 40 0 EGABHN CCOc1ccc(CN2CCC[C@@H](c3nccs3)C2)cc1CO ZINC000257217662 244174012 /nfs/dbraw/zinc/17/40/12/244174012.db2.gz CZZJSSMZUFOPJC-OAHLLOKOSA-N 0 3 332.469 3.414 40 0 EGABHN Cc1ncc2cc(C3(C)CCN(Cc4cccnc4)CC3)nc(C)n21 ZINC000257209628 244145705 /nfs/dbraw/zinc/14/57/05/244145705.db2.gz BRESPDXFMZVQKJ-UHFFFAOYSA-N 0 3 335.455 3.295 40 0 EGABHN CO[C@H]1CCN(Cc2cn(C)c3ccc(F)cc23)C[C@@]12CCCO2 ZINC000257237161 244233625 /nfs/dbraw/zinc/23/36/25/244233625.db2.gz HFKASZZYWCWOIO-OALUTQOASA-N 0 3 332.419 3.087 40 0 EGABHN Fc1ccccc1CN1CCC(c2nccnc2-c2ncc[nH]2)CC1 ZINC000257261716 244350539 /nfs/dbraw/zinc/35/05/39/244350539.db2.gz LINNVICVFOMSLE-UHFFFAOYSA-N 0 3 337.402 3.385 40 0 EGABHN CC1(C)Cc2cc(CN3CC[C@@H](C(=O)NC4CCCC4)C3)ccc2O1 ZINC000019750388 212062468 /nfs/dbraw/zinc/06/24/68/212062468.db2.gz WBHWHTYMZSWIAK-MRXNPFEDSA-N 0 3 342.483 3.281 40 0 EGABHN CCCNC(=O)c1cc([C@H]2CCCN(Cc3ccccc3)C2)no1 ZINC000019503708 212035196 /nfs/dbraw/zinc/03/51/96/212035196.db2.gz JCJLIKIFQALMAC-INIZCTEOSA-N 0 3 327.428 3.194 40 0 EGABHN OC1CCN(Cc2ccc(CNCc3ccccc3F)cc2)CC1 ZINC000078553930 217074934 /nfs/dbraw/zinc/07/49/34/217074934.db2.gz NISMRZUIKVCDOD-UHFFFAOYSA-N 0 3 328.431 3.072 40 0 EGABHN CC(C)(C)n1cc(CNC[C@@H](O)c2cccc(C(F)(F)F)c2)cn1 ZINC000078663126 217097198 /nfs/dbraw/zinc/09/71/98/217097198.db2.gz GOILBOANWLXRNA-OAHLLOKOSA-N 0 3 341.377 3.480 40 0 EGABHN C[C@H](CNC(=O)N(C)[C@@H](C)c1cccnc1)N(C)Cc1ccccc1 ZINC000078925999 217149516 /nfs/dbraw/zinc/14/95/16/217149516.db2.gz IYFXKZKTQABYJS-SJORKVTESA-N 0 3 340.471 3.305 40 0 EGABHN CCCO[C@@H]1CCCN([C@@H](C)C(=O)NCCc2cccs2)CC1 ZINC000079354173 217213283 /nfs/dbraw/zinc/21/32/83/217213283.db2.gz FBPLIBPHGBXQDU-JKSUJKDBSA-N 0 3 338.517 3.076 40 0 EGABHN O[C@]1(c2cccnc2)CCC[C@@H]2CN(Cc3cc(F)ccc3F)C[C@@H]21 ZINC000012337143 211350902 /nfs/dbraw/zinc/35/09/02/211350902.db2.gz YHQYVBJFVDONSK-WNYOCNMUSA-N 0 3 344.405 3.480 40 0 EGABHN CCn1cc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cn1 ZINC000012325309 211349698 /nfs/dbraw/zinc/34/96/98/211349698.db2.gz SMZFMCJTNVPTSB-DFNIBXOVSA-N 0 3 329.419 3.057 40 0 EGABHN Cc1cc(-c2cnc(NCCN(C)C)nc2-c2cccs2)on1 ZINC000012154288 211309787 /nfs/dbraw/zinc/30/97/87/211309787.db2.gz WBPWCMLAYAOOFM-UHFFFAOYSA-N 0 3 329.429 3.142 40 0 EGABHN COC(=O)N1CCC(NCc2ncc(-c3ccccc3)s2)CC1 ZINC000092374518 218136734 /nfs/dbraw/zinc/13/67/34/218136734.db2.gz KRUCLLYSKIIEJC-UHFFFAOYSA-N 0 3 331.441 3.131 40 0 EGABHN CCN1CCN(c2cc(CN[C@@H](C)c3sccc3C)ccn2)CC1 ZINC000095421339 218362877 /nfs/dbraw/zinc/36/28/77/218362877.db2.gz TWNMCOXJUSFSDE-INIZCTEOSA-N 0 3 344.528 3.444 40 0 EGABHN C[C@@H](CC(=O)Nc1ccc(Cl)cc1)NC[C@@](C)(O)c1ccco1 ZINC000095423311 218366334 /nfs/dbraw/zinc/36/63/34/218366334.db2.gz GTUPUUUYLQAWML-YVEFUNNKSA-N 0 3 336.819 3.147 40 0 EGABHN COc1ccc2c(c1OC)[C@]1(CCN(C)C)CC(=O)CC[C@H]1C=C2 ZINC000001560173 295277846 /nfs/dbraw/zinc/27/78/46/295277846.db2.gz ZZYRTKUDKQIIKW-FOIQADDNSA-N 0 3 329.440 3.289 40 0 EGABHN CC[C@H](OC[C@@H](O)CN(CCO)Cc1ccccc1)c1ccccc1 ZINC000006440554 452945046 /nfs/dbraw/zinc/94/50/46/452945046.db2.gz ITVGMNRFDVQDOW-SFTDATJTSA-N 0 3 343.467 3.010 40 0 EGABHN Cc1cc(Cl)ccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000006501103 452948090 /nfs/dbraw/zinc/94/80/90/452948090.db2.gz LUVDTOQNWMQDCD-GOSISDBHSA-N 0 3 331.843 3.446 40 0 EGABHN Cc1ccc([C@@]2(O)CCC[C@@H]3CN(Cc4cnc(C)nc4)C[C@@H]32)cc1 ZINC000012186320 453347014 /nfs/dbraw/zinc/34/70/14/453347014.db2.gz LOEHXFLWUKAUCB-GIVPXCGWSA-N 0 3 337.467 3.213 40 0 EGABHN CC(C)C(=O)N1CCCc2cc([C@@H](O)CN3CCCCC3)ccc21 ZINC000012291366 453353605 /nfs/dbraw/zinc/35/36/05/453353605.db2.gz HSAQCBZCUBYDCS-IBGZPJMESA-N 0 3 330.472 3.141 40 0 EGABHN COc1cc(CNC(C)(C)CO)ccc1OCc1ccccc1C ZINC000016362727 453602237 /nfs/dbraw/zinc/60/22/37/453602237.db2.gz PKIQLPBFJNTEOY-UHFFFAOYSA-N 0 3 329.440 3.443 40 0 EGABHN O=C1NC[C@@H](C2CCN(Cc3ccccc3)CC2)Oc2ccccc21 ZINC000019371813 453656223 /nfs/dbraw/zinc/65/62/23/453656223.db2.gz QEOHEOJPIUWENK-FQEVSTJZSA-N 0 3 336.435 3.090 40 0 EGABHN CCN1CCC(NC(=O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000029605890 453830027 /nfs/dbraw/zinc/83/00/27/453830027.db2.gz WQSNJZXWNJOYHL-UHFFFAOYSA-N 0 3 338.451 3.480 40 0 EGABHN C[C@@H](Oc1ccccc1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000029839114 453831945 /nfs/dbraw/zinc/83/19/45/453831945.db2.gz FVUPDSOBSDYOSB-QGZVFWFLSA-N 0 3 338.451 3.019 40 0 EGABHN COc1ccc(C(=O)[C@H]2SC(=N)N[C@@H]2c2ccc(OC)cc2)cc1 ZINC000033665195 453916513 /nfs/dbraw/zinc/91/65/13/453916513.db2.gz LRNIPQIMNMMAAB-WBVHZDCISA-N 0 3 342.420 3.058 40 0 EGABHN C[C@@H](c1ccccc1)N(CC(=O)NC1CCOCC1)CC1CCC1 ZINC000077372233 454098452 /nfs/dbraw/zinc/09/84/52/454098452.db2.gz FLZBDCNITGVPSB-INIZCTEOSA-N 0 3 330.472 3.145 40 0 EGABHN O[C@H](CNCc1cnn(-c2ccc(F)cc2)c1)c1ccc(F)c(F)c1 ZINC000077400403 454102042 /nfs/dbraw/zinc/10/20/42/454102042.db2.gz XLKWPTAJEWUTCN-GOSISDBHSA-N 0 3 347.340 3.113 40 0 EGABHN C[C@H]1CN(Cc2ccccn2)CC[C@H]1Nc1cnn(C(C)(C)C)c1 ZINC000245918652 455399790 /nfs/dbraw/zinc/39/97/90/455399790.db2.gz PSWAXIAVMHAQMB-MAUKXSAKSA-N 0 3 327.476 3.356 40 0 EGABHN N=C1NC[C@@H]2c3ccccc3Cc3cc(Br)ccc3N12 ZINC000044699380 454115016 /nfs/dbraw/zinc/11/50/16/454115016.db2.gz HQFMNGNBQOQKRX-OAHLLOKOSA-N 0 3 328.213 3.439 40 0 in-vitro EGABHN O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1CCN2CCC1CC2 ZINC000190923597 455406613 /nfs/dbraw/zinc/40/66/13/455406613.db2.gz LDLVXFODDSKUEH-UHFFFAOYSA-N 0 3 345.777 3.253 40 0 EGABHN CCOc1cc(-c2nc([C@H](N)c3ccc(F)cc3)n[nH]2)ccc1OC ZINC000095533364 454230129 /nfs/dbraw/zinc/23/01/29/454230129.db2.gz ACBZSLYXFXQRFZ-MRXNPFEDSA-N 0 3 342.374 3.066 40 0 EGABHN Cc1ccc([C@@H](N)c2nc(COc3ccc(Cl)cc3)n[nH]2)cc1 ZINC000095534077 454230757 /nfs/dbraw/zinc/23/07/57/454230757.db2.gz NKOHFFYTTLKZGL-MRXNPFEDSA-N 0 3 328.803 3.394 40 0 EGABHN CCOc1ccc(-c2nc([C@@H](N)c3ccc(F)cc3)n[nH]2)cc1OC ZINC000095533369 454231068 /nfs/dbraw/zinc/23/10/68/454231068.db2.gz RRVJXBIGIKKXFG-INIZCTEOSA-N 0 3 342.374 3.066 40 0 EGABHN COc1cccc2cc(CNC[C@@H]3CCN(CC(F)(F)F)C3)oc21 ZINC000095951272 454236887 /nfs/dbraw/zinc/23/68/87/454236887.db2.gz IUKKEXWHPDYASV-LBPRGKRZSA-N 0 3 342.361 3.415 40 0 EGABHN Cn1cc(CN2CCC[C@@]3(CCN(Cc4ccc(F)cc4)C3)C2)cn1 ZINC000096046988 454269358 /nfs/dbraw/zinc/26/93/58/454269358.db2.gz YPVCDFBODJECLZ-HXUWFJFHSA-N 0 3 342.462 3.047 40 0 EGABHN O=C(c1cccs1)N1CCC[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC000096047024 454269413 /nfs/dbraw/zinc/26/94/13/454269413.db2.gz VYUZBHDABYBVMT-IBGZPJMESA-N 0 3 341.480 3.271 40 0 EGABHN Cc1ccc(CN2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)o1 ZINC000096050719 454272945 /nfs/dbraw/zinc/27/29/45/454272945.db2.gz FJKKLFHXSVYERW-IBGZPJMESA-N 0 3 328.387 3.356 40 0 EGABHN CC[C@@H]1N(Cc2cccs2)CCC[C@]12CCC(=O)N2CCOC ZINC000096052434 454272987 /nfs/dbraw/zinc/27/29/87/454272987.db2.gz UKCURYZLEGMBED-WMZOPIPTSA-N 0 3 336.501 3.130 40 0 EGABHN O=C(Nc1ccccc1)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096090681 454281196 /nfs/dbraw/zinc/28/11/96/454281196.db2.gz ZNBFXUDSUUKNJS-IRXDYDNUSA-N 0 3 339.414 3.421 40 0 EGABHN c1csc(CN2CC[C@H]3OCC[C@@]3(COc3cccnc3)C2)c1 ZINC000096110370 454285828 /nfs/dbraw/zinc/28/58/28/454285828.db2.gz YYRKYVOKZKGUAY-MSOLQXFVSA-N 0 3 330.453 3.203 40 0 EGABHN Cc1noc(C)c1CN1CC[C@]2(C1)CCCN(Cc1nccs1)C2 ZINC000096158083 454294529 /nfs/dbraw/zinc/29/45/29/454294529.db2.gz JXWJFGCQYHCASG-GOSISDBHSA-N 0 3 346.500 3.236 40 0 EGABHN Fc1cccc(-c2ncnc3c2CCN(Cc2ccccn2)CC3)c1 ZINC000096187646 454299958 /nfs/dbraw/zinc/29/99/58/454299958.db2.gz YJRSCBPHNVPICL-UHFFFAOYSA-N 0 3 334.398 3.279 40 0 EGABHN COc1ccc2c3c1O[C@@]1(C)C=C(Cl)C=C4[C@@H](C2)N(C)CC[C@@]341 ZINC000096316378 454318321 /nfs/dbraw/zinc/31/83/21/454318321.db2.gz ZOKWVYUPBVGDOC-CCKFTAQKSA-N 0 3 329.827 3.407 40 0 biogenic,in-vitro EGABHN CSC[C@H]1CCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000096437300 454348733 /nfs/dbraw/zinc/34/87/33/454348733.db2.gz QJLKYAZAUWLLPX-ZDUSSCGKSA-N 0 3 332.469 3.320 40 0 EGABHN COc1ccc([C@H](C)NC[C@@H]2Cc3ccccc3O2)cc1NC(C)=O ZINC000096476514 454362744 /nfs/dbraw/zinc/36/27/44/454362744.db2.gz XBMUGDYQLUDHJJ-GUYCJALGSA-N 0 3 340.423 3.308 40 0 EGABHN CNS(=O)(=O)c1cccc([C@@H](C)NC[C@H](C)c2ccsc2)c1 ZINC000096478870 454364052 /nfs/dbraw/zinc/36/40/52/454364052.db2.gz PZEDTZWYPKFARX-QWHCGFSZSA-N 0 3 338.498 3.111 40 0 EGABHN COc1ccc([C@@H](C)NCc2cn(C)nc2-c2cccnc2)cc1F ZINC000091061679 454373969 /nfs/dbraw/zinc/37/39/69/454373969.db2.gz BHZMGRDREGEZPA-CYBMUJFWSA-N 0 3 340.402 3.481 40 0 EGABHN COc1ccc(CN2CC[C@H](c3nnc(-c4ccco4)o3)C2)cc1 ZINC000049169463 454537606 /nfs/dbraw/zinc/53/76/06/454537606.db2.gz QCFNJCCWWQATQP-AWEZNQCLSA-N 0 3 325.368 3.328 40 0 biogenic,in-vitro EGABHN O=C(/C=C/c1nc2ccccc2o1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000065607439 454602227 /nfs/dbraw/zinc/60/22/27/454602227.db2.gz PRVGTBSRSHTQQA-DVQDXYAYSA-N 0 3 347.418 3.232 40 0 EGABHN CN1CCC(NC(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000153737653 454827772 /nfs/dbraw/zinc/82/77/72/454827772.db2.gz LCWVIXQRAVPXMB-CYBMUJFWSA-N 0 3 349.784 3.337 40 0 EGABHN COc1ccc(NC(=O)NC[C@H]2CN(C)C[C@H]2c2cccs2)cc1 ZINC000252516820 455819797 /nfs/dbraw/zinc/81/97/97/455819797.db2.gz XBOVYNUCTICSID-XJKSGUPXSA-N 0 3 345.468 3.224 40 0 EGABHN Cc1csc([C@@H](C)N[C@H](C)CCN2C(=O)c3ccccc3C2=O)n1 ZINC000195566394 455986461 /nfs/dbraw/zinc/98/64/61/455986461.db2.gz IDBWXOQZXQLZLH-DGCLKSJQSA-N 0 3 343.452 3.177 40 0 EGABHN Cc1cc(NCCNC(=S)Nc2ccncc2)c2ccccc2n1 ZINC000225217653 456076009 /nfs/dbraw/zinc/07/60/09/456076009.db2.gz GBFNZHKSJNXFMG-UHFFFAOYSA-N 0 3 337.452 3.337 40 0 EGABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(F)cc1C ZINC000225597718 456096405 /nfs/dbraw/zinc/09/64/05/456096405.db2.gz NBGAOOBBYABCET-MRXNPFEDSA-N 0 3 342.480 3.067 40 0 EGABHN Cc1ncc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c(C2CC2)n1 ZINC000281390665 456220335 /nfs/dbraw/zinc/22/03/35/456220335.db2.gz OYZIRKAUNSZXPM-ORAYPTAESA-N 0 3 338.455 3.084 40 0 EGABHN O=C(c1cccc(F)c1)N1CCC[C@H](N2CCc3ccccc3C2)C1 ZINC000408609774 457583932 /nfs/dbraw/zinc/58/39/32/457583932.db2.gz ORPMJTGUCZTKRA-FQEVSTJZSA-N 0 3 338.426 3.489 40 0 EGABHN O=C(c1ccc(F)cc1)N1CCC[C@H](N2CCc3ccccc3C2)C1 ZINC000408610652 457584268 /nfs/dbraw/zinc/58/42/68/457584268.db2.gz QZJVULCSQAERLO-FQEVSTJZSA-N 0 3 338.426 3.489 40 0 EGABHN CCCN1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 ZINC000514289768 458798148 /nfs/dbraw/zinc/79/81/48/458798148.db2.gz DWBYMZQIBAZITB-IRFCIJBXSA-N 0 3 344.499 3.269 40 0 biogenic,in-vitro EGABHN O=C(N1CCC2(CCCN(Cc3ccccn3)C2)CC1)C1(F)CCC1 ZINC000585099908 459823177 /nfs/dbraw/zinc/82/31/77/459823177.db2.gz XMECPLBMPPZTKW-UHFFFAOYSA-N 0 3 345.462 3.178 40 0 EGABHN CN(C)c1ccc(C(=O)N2CCC[C@@]3(CCN3C)C2)c2ccccc21 ZINC000585102110 459824049 /nfs/dbraw/zinc/82/40/49/459824049.db2.gz RVXCPJPGDBJLLL-OAQYLSRUSA-N 0 3 337.467 3.216 40 0 EGABHN CC(=O)N[C@H]1CCCN(Cc2cncc(C)c2)[C@H]1Cc1ccccc1 ZINC000585269149 459832575 /nfs/dbraw/zinc/83/25/75/459832575.db2.gz KNTPVDLPNXIBIB-SFTDATJTSA-N 0 3 337.467 3.102 40 0 EGABHN C/C=C/C=C/C(=O)N[C@H](C)CCN1CCN(c2cccc(C)c2)CC1 ZINC000032580279 518514018 /nfs/dbraw/zinc/51/40/18/518514018.db2.gz IUGYTOHLQNWEEP-PANGETNDSA-N 0 3 341.499 3.144 40 0 EGABHN CN1C(=O)C2(C[C@H]1Cc1ccccc1)CCN(Cc1ccccn1)CC2 ZINC000257218795 536307217 /nfs/dbraw/zinc/30/72/17/536307217.db2.gz DEKXREJCYPDFRW-HXUWFJFHSA-N 0 3 349.478 3.137 40 0 EGABHN Cn1cc(C[C@H]2[C@@H](OCC3CC3)CCN2Cc2cccs2)cn1 ZINC000306127193 547459867 /nfs/dbraw/zinc/45/98/67/547459867.db2.gz FRHQVYCZNZABFR-ROUUACIJSA-N 0 3 331.485 3.094 40 0 EGABHN COc1ccccc1CNCCc1cc(OC)c(OC)c(OC)c1 ZINC000200457543 564132867 /nfs/dbraw/zinc/13/28/67/564132867.db2.gz USPSMWCGHVXKMN-UHFFFAOYSA-N 0 3 331.412 3.053 40 0 in-vitro EGABHN Clc1cccc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)c1 ZINC000019293427 202003055 /nfs/dbraw/zinc/00/30/55/202003055.db2.gz JQOZLUHFJJHFAF-QGZVFWFLSA-N 0 3 328.847 3.113 40 0 EGABHN COc1cccc(CN2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c1OC ZINC000019567950 202011328 /nfs/dbraw/zinc/01/13/28/202011328.db2.gz BKVRQJVVBDBNDZ-JZXOWHBKSA-N 0 3 330.472 3.010 40 0 EGABHN COc1ccc(OC)c(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000019842194 202024361 /nfs/dbraw/zinc/02/43/61/202024361.db2.gz ZWJZTTGEYYUYPC-SQNIBIBYSA-N 0 3 342.483 3.034 40 0 EGABHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)/C=C/c1ccncc1 ZINC000077140380 202383792 /nfs/dbraw/zinc/38/37/92/202383792.db2.gz RHFOZEKTCMDBOH-GFOMBABLSA-N 0 3 335.451 3.218 40 0 EGABHN COc1ccc([C@@H](CN(C)C)NC(=O)c2sccc2Cl)cc1 ZINC000285883971 201332696 /nfs/dbraw/zinc/33/26/96/201332696.db2.gz CCGMOVPDMZSAFN-CQSZACIVSA-N 0 3 338.860 3.443 40 0 EGABHN Cc1cncc(CNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC000225790027 242038564 /nfs/dbraw/zinc/03/85/64/242038564.db2.gz YLUGXTBWYVCLAN-KRWDZBQOSA-N 0 3 346.862 3.146 40 0 EGABHN CC(=O)NCc1cccc([C@@H]2CCCN2CCc2ccc(F)cc2)n1 ZINC000257207559 244138943 /nfs/dbraw/zinc/13/89/43/244138943.db2.gz BIHOLZBFQMCQFZ-FQEVSTJZSA-N 0 3 341.430 3.236 40 0 EGABHN c1ccc(CC[N@@H+]2CCC[C@@H]2c2ccnc([N-]c3cnccn3)n2)cc1 ZINC000072377571 203209782 /nfs/dbraw/zinc/20/97/82/203209782.db2.gz PTOVMDNXRSCZJI-GOSISDBHSA-N 0 3 346.438 3.390 40 0 EGABHN c1ccc(CC[N@H+]2CCC[C@@H]2c2ccnc([N-]c3cnccn3)n2)cc1 ZINC000072377571 203209785 /nfs/dbraw/zinc/20/97/85/203209785.db2.gz PTOVMDNXRSCZJI-GOSISDBHSA-N 0 3 346.438 3.390 40 0 EGABHN Cc1ccnc(NC(=O)CCc2cc(C)nc([C@H]3CCCN3C)c2)c1 ZINC000072366935 203208210 /nfs/dbraw/zinc/20/82/10/203208210.db2.gz ICUSSGWXLYMJLV-GOSISDBHSA-N 0 3 338.455 3.431 40 0 EGABHN Cc1cc(NC(=O)CC2CCN(C)CC2)ccc1Br ZINC000074921056 203297740 /nfs/dbraw/zinc/29/77/40/203297740.db2.gz DWOOJZFOGOYZJG-UHFFFAOYSA-N 0 3 325.250 3.428 40 0 EGABHN C[C@@H]1CCCCN1CCNC(=O)c1cc(F)ccc1Br ZINC000046860243 204336780 /nfs/dbraw/zinc/33/67/80/204336780.db2.gz JUFSUFKRSMJUJJ-LLVKDONJSA-N 0 3 343.240 3.192 40 0 EGABHN CCN1CCC[C@@H]1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000048309711 204346497 /nfs/dbraw/zinc/34/64/97/204346497.db2.gz ADKQBIMUXYEMLN-DGCLKSJQSA-N 0 3 345.270 3.361 40 0 EGABHN CN(C)c1ccc(-c2nnc([C@H]3CCN(Cc4ccccn4)C3)o2)cc1 ZINC000049170227 204370234 /nfs/dbraw/zinc/37/02/34/204370234.db2.gz RGNIVPCVUKEYCL-INIZCTEOSA-N 0 3 349.438 3.187 40 0 biogenic,in-vitro EGABHN C[C@H](NCCOc1ccc(F)cc1F)c1ccc([S@](C)=O)cc1 ZINC000095423592 218366409 /nfs/dbraw/zinc/36/64/09/218366409.db2.gz YIFAOOGNRFZBDY-DAOPMYJZSA-N 0 3 339.407 3.432 40 0 EGABHN COc1ccccc1N1CCC(NC(=O)Nc2ccnc(C)c2)CC1 ZINC000179831327 207695740 /nfs/dbraw/zinc/69/57/40/207695740.db2.gz SQSMLBYRBSWTKA-UHFFFAOYSA-N 0 3 340.427 3.189 40 0 EGABHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NCc1ccc(Cl)cn1 ZINC000097379793 219019766 /nfs/dbraw/zinc/01/97/66/219019766.db2.gz JOUJQYFLIIHUSD-ZIAGYGMSSA-N 0 3 325.840 3.270 40 0 EGABHN Cc1[nH]c2ccccc2c1[C@@H](c1ccccn1)N1CCC(C(N)=O)CC1 ZINC000001098055 452644382 /nfs/dbraw/zinc/64/43/82/452644382.db2.gz FMNVUAXKHPGQSN-HXUWFJFHSA-N 0 3 348.450 3.158 40 0 EGABHN CCCNCc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 ZINC000007262383 453052439 /nfs/dbraw/zinc/05/24/39/453052439.db2.gz GFGHQOOTNRRKPV-UHFFFAOYSA-N 0 3 331.368 3.019 40 0 EGABHN COc1cc(CNC[C@@H](C)O)ccc1OCc1cccc(Cl)c1 ZINC000008535080 453212097 /nfs/dbraw/zinc/21/20/97/453212097.db2.gz YEUPXFMOPNNXDG-CYBMUJFWSA-N 0 3 335.831 3.398 40 0 EGABHN CCn1cncc1CN(CCCn1ccnc1)C[C@@H]1CC=CCC1 ZINC000012116598 453344447 /nfs/dbraw/zinc/34/44/47/453344447.db2.gz KNPBYXYUUBXCAW-GOSISDBHSA-N 0 3 327.476 3.348 40 0 EGABHN O[C@@]1(c2cccnc2)CCC[C@H]2CN(Cc3cc(F)ccc3F)C[C@@H]21 ZINC000012337144 453357767 /nfs/dbraw/zinc/35/77/67/453357767.db2.gz YHQYVBJFVDONSK-ADLFWFRXSA-N 0 3 344.405 3.480 40 0 EGABHN Clc1ccccc1[C@H](CNc1ncnc2n[nH]cc21)N1CCCC1 ZINC000012547875 453371715 /nfs/dbraw/zinc/37/17/15/453371715.db2.gz OVPQLSPQWPAZDB-HNNXBMFYSA-N 0 3 342.834 3.255 40 0 EGABHN CC(C)(C)CC(=O)N=c1[nH]c2ccccc2n1CCN1CCCCC1 ZINC000028227434 453822640 /nfs/dbraw/zinc/82/26/40/453822640.db2.gz AEGGJRYVNIBOQF-UHFFFAOYSA-N 0 3 342.487 3.319 40 0 EGABHN O=C(Nc1nc2ccccc2n1CCN1CCCCC1)c1ccccn1 ZINC000032502459 453876134 /nfs/dbraw/zinc/87/61/34/453876134.db2.gz IFUNMIKPPNHVSI-UHFFFAOYSA-N 0 3 349.438 3.170 40 0 EGABHN CN(C)[C@@H](CNc1ncc(Br)cn1)c1cccs1 ZINC000067346676 453922948 /nfs/dbraw/zinc/92/29/48/453922948.db2.gz BWMXBTKTCVCADK-JTQLQIEISA-N 0 3 327.251 3.015 40 0 EGABHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1nnc(C2CCCCC2)o1 ZINC000036652099 453929448 /nfs/dbraw/zinc/92/94/48/453929448.db2.gz UIRLZVUAIUTUEV-XHDPSFHLSA-N 0 3 343.383 3.284 40 0 EGABHN COc1ccc(NC(=O)N2CCCSC[C@@H]2CN2CCCC2)cc1 ZINC000085473226 454030697 /nfs/dbraw/zinc/03/06/97/454030697.db2.gz KXAZXZWLLMOJAX-INIZCTEOSA-N 0 3 349.500 3.130 40 0 EGABHN CC[C@H]1N(Cc2ccsc2)CCC[C@]12CCC(=O)N2CCOC ZINC000096045694 454267877 /nfs/dbraw/zinc/26/78/77/454267877.db2.gz JBFOSICVZPLISV-AEFFLSMTSA-N 0 3 336.501 3.130 40 0 EGABHN CN(Cc1ccco1)[C@@H]1CCC12CCN(C(=O)c1ccco1)CC2 ZINC000096051574 454273225 /nfs/dbraw/zinc/27/32/25/454273225.db2.gz JDLJSUCATREACL-QGZVFWFLSA-N 0 3 328.412 3.389 40 0 EGABHN Cc1ccc(CN2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)o1 ZINC000096056433 454274283 /nfs/dbraw/zinc/27/42/83/454274283.db2.gz RWWAZNRHVGVUKQ-VAMGGRTRSA-N 0 3 342.439 3.322 40 0 EGABHN Cn1cc(CN2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)cn1 ZINC000096061586 454277099 /nfs/dbraw/zinc/27/70/99/454277099.db2.gz MJJLYZBYXDPRBV-VQTJNVASSA-N 0 3 325.456 3.032 40 0 EGABHN Cc1ccc(N2CCC3(CCN(Cc4ccncc4)CC3)CC2)nn1 ZINC000096063017 454278422 /nfs/dbraw/zinc/27/84/22/454278422.db2.gz AISDKUIEOAMFEQ-UHFFFAOYSA-N 0 3 337.471 3.063 40 0 EGABHN c1cc(CN2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)co1 ZINC000096065148 454278614 /nfs/dbraw/zinc/27/86/14/454278614.db2.gz QUVPMDXGNAYNCP-PMACEKPBSA-N 0 3 342.439 3.263 40 0 EGABHN CC(C)(C)CN1CC2(C1)CCN(C(=O)Cc1ccc(Cl)cc1)C2 ZINC000096070755 454278805 /nfs/dbraw/zinc/27/88/05/454278805.db2.gz WHODRQBMIUPCNI-UHFFFAOYSA-N 0 3 334.891 3.463 40 0 EGABHN CCCC[C@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC000072341113 454293885 /nfs/dbraw/zinc/29/38/85/454293885.db2.gz IUJOUIOLFLMBJD-FUHIMQAGSA-N 0 3 329.440 3.342 40 0 EGABHN Cc1ccc(CN2CC[C@@H]3O[C@@H](COCc4ccncc4)CC[C@@H]32)o1 ZINC000096186782 454299521 /nfs/dbraw/zinc/29/95/21/454299521.db2.gz MDIJGYVFDULARM-AABGKKOBSA-N 0 3 342.439 3.322 40 0 EGABHN C[C@@H](c1ccccc1)N1CCC(NC(=O)/C=C/c2cscn2)CC1 ZINC000096407279 454325468 /nfs/dbraw/zinc/32/54/68/454325468.db2.gz RLJSSLDSJKSRPD-KIUWMYQTSA-N 0 3 341.480 3.498 40 0 EGABHN Cc1csc([C@H](C)NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)n1 ZINC000078925544 454337507 /nfs/dbraw/zinc/33/75/07/454337507.db2.gz GUGISWAMHIICCC-CABCVRRESA-N 0 3 346.500 3.332 40 0 EGABHN O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(CCc2ccncc2)C1 ZINC000096483689 454366287 /nfs/dbraw/zinc/36/62/87/454366287.db2.gz AESKDEZQMFYFSU-IAGOWNOFSA-N 0 3 336.357 3.451 40 0 EGABHN C[C@H](CN[C@H]1CCCC[C@@H]1S(C)(=O)=O)c1ccc(F)cc1F ZINC000096491674 454368985 /nfs/dbraw/zinc/36/89/85/454368985.db2.gz DWTLJCHKNYFOKD-RLCCDNCMSA-N 0 3 331.428 3.014 40 0 EGABHN CCN(C(=O)Cc1cccnc1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000110600456 454848528 /nfs/dbraw/zinc/84/85/28/454848528.db2.gz SFLZGBKELHZEKC-YLJYHZDGSA-N 0 3 337.467 3.308 40 0 EGABHN COc1ccc([C@@H]2[C@@H](CNC(=O)c3ccoc3)CCCN2C)cc1 ZINC000110595904 454848642 /nfs/dbraw/zinc/84/86/42/454848642.db2.gz KHUKBMRDWWBWLO-CRAIPNDOSA-N 0 3 328.412 3.101 40 0 EGABHN COC[C@@H](C)CN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000187091046 455870004 /nfs/dbraw/zinc/87/00/04/455870004.db2.gz PFHMTVSESNIZMK-AWEZNQCLSA-N 0 3 339.867 3.162 40 0 EGABHN C[C@]12C[C@@H](c3ccccc3)N(Cc3ccncc3)[C@H]1CCCC(=O)N2 ZINC000257311573 455889108 /nfs/dbraw/zinc/88/91/08/455889108.db2.gz UKCPACOTFQMEEI-ZJOUEHCJSA-N 0 3 335.451 3.456 40 0 EGABHN Cc1c2cc(F)ccc2oc1CNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272711968 456048744 /nfs/dbraw/zinc/04/87/44/456048744.db2.gz HSWFKNWYSZWWJS-ZDUSSCGKSA-N 0 3 345.418 3.330 40 0 EGABHN COCC[C@@H]1Cn2cccc2CN(CCOCc2ccccc2)C1 ZINC000585095279 459822081 /nfs/dbraw/zinc/82/20/81/459822081.db2.gz NEHAJNZZFINCEP-IBGZPJMESA-N 0 3 328.456 3.173 40 0 EGABHN CCOCC[C@@H]1CCOC12CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000585103819 459823706 /nfs/dbraw/zinc/82/37/06/459823706.db2.gz DBQOLPWKOTUVTP-QGZVFWFLSA-N 0 3 347.455 3.213 40 0 EGABHN O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1NCCOc1cccc(F)c1 ZINC000585289596 459833723 /nfs/dbraw/zinc/83/37/23/459833723.db2.gz RYTLOCUXXWYZNP-XUVXKRRUSA-N 0 3 345.414 3.155 40 0 EGABHN O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1NCc1ccc(F)cc1 ZINC000585289168 459833781 /nfs/dbraw/zinc/83/37/81/459833781.db2.gz NHNAIHHPDBVEJK-IPMKNSEASA-N 0 3 333.378 3.415 40 0 EGABHN CO[C@H]1CCCOC12CCN(Cc1ccnc3ccccc13)CC2 ZINC000257253550 536713605 /nfs/dbraw/zinc/71/36/05/536713605.db2.gz JZIXNZZRZCFNGK-IBGZPJMESA-N 0 3 326.440 3.395 40 0 EGABHN CC1CCC(N(C)CC(=O)Nc2ccccc2N2CCCC2=O)CC1 ZINC000053837157 214201628 /nfs/dbraw/zinc/20/16/28/214201628.db2.gz UAEJVLPQYUOBQU-UHFFFAOYSA-N 0 3 343.471 3.262 40 0 EGABHN CN(Cc1ccccc1)C[C@@H](O)COCC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000007063406 201712578 /nfs/dbraw/zinc/71/25/78/201712578.db2.gz JGQVYNOGQITPDG-ZCNNSNEGSA-N 0 3 329.484 3.488 40 0 EGABHN CC(C)C[C@@H](c1nnnn1C(C)C)N1CCN(C2CCCCC2)CC1 ZINC000020140388 202034347 /nfs/dbraw/zinc/03/43/47/202034347.db2.gz LEDMJHXQPUROMK-SFHVURJKSA-N 0 3 348.539 3.292 40 0 EGABHN CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2N(CC)C1 ZINC000028252243 202168030 /nfs/dbraw/zinc/16/80/30/202168030.db2.gz MYNOUXJLOHVSMQ-DNVCBOLYSA-N 0 3 337.467 3.296 40 0 EGABHN CCN(CC)[C@@H](CNC(=O)c1cccc(C)n1)c1cccc(OC)c1 ZINC000037163008 202336553 /nfs/dbraw/zinc/33/65/53/202336553.db2.gz DCCGUNFJTRNZHX-IBGZPJMESA-N 0 3 341.455 3.212 40 0 EGABHN O=c1[nH]c2ccccc2cc1CNC[C@@H](c1ccco1)N1CCCC1 ZINC000074335172 202373170 /nfs/dbraw/zinc/37/31/70/202373170.db2.gz UCJAYCXXTWQRQR-SFHVURJKSA-N 0 3 337.423 3.048 40 0 EGABHN Cc1ccc(C(=O)Nc2cccc(CNCCN3CCCC3)c2)cc1 ZINC000023480230 212380376 /nfs/dbraw/zinc/38/03/76/212380376.db2.gz ZBIXGVSTNGDVFS-UHFFFAOYSA-N 0 3 337.467 3.433 40 0 EGABHN CC(=O)Nc1ccc(CNC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000022095715 212277277 /nfs/dbraw/zinc/27/72/77/212277277.db2.gz FZOHUOJMVCQXKD-GOSISDBHSA-N 0 3 327.428 3.165 40 0 EGABHN O=C(Nc1ccc2c(c1)NC(=O)CC2)[C@@H]1CCCCN1C1CCCC1 ZINC000225804744 242045388 /nfs/dbraw/zinc/04/53/88/242045388.db2.gz CZUHJYVSZLKYSQ-SFHVURJKSA-N 0 3 341.455 3.307 40 0 EGABHN Cc1nccn1-c1cccc(C2CCN(Cc3ccccn3)CC2)n1 ZINC000072379060 203210324 /nfs/dbraw/zinc/21/03/24/203210324.db2.gz FAIXPKMTDJSSFC-UHFFFAOYSA-N 0 3 333.439 3.350 40 0 EGABHN O[C@]1(c2ccc(F)cc2)CCC[C@H]2CN(Cc3cccnc3)C[C@H]21 ZINC000072340437 203202904 /nfs/dbraw/zinc/20/29/04/203202904.db2.gz JYZMRAZKRRPYGD-DBVUQKKJSA-N 0 3 326.415 3.340 40 0 EGABHN Fc1ccc(CN2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)cc1 ZINC000072355444 203204348 /nfs/dbraw/zinc/20/43/48/203204348.db2.gz DYLDDWCYTGEHCU-MRXNPFEDSA-N 0 3 337.402 3.181 40 0 EGABHN Cc1cccc(CN2CCC(c3ccc4sc(N)nc4n3)CC2)n1 ZINC000257271674 244378984 /nfs/dbraw/zinc/37/89/84/244378984.db2.gz MZHPHIZRJWZVIC-UHFFFAOYSA-N 0 3 339.468 3.357 40 0 EGABHN COc1ccc(CN2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)cc1 ZINC000107751988 204247827 /nfs/dbraw/zinc/24/78/27/204247827.db2.gz BSSPCZNYZFNVOZ-RTWAWAEBSA-N 0 3 345.483 3.493 40 0 EGABHN Cn1cncc1-c1nnc([C@H]2CCN(Cc3ccc(Cl)cc3)C2)o1 ZINC000049170442 204369231 /nfs/dbraw/zinc/36/92/31/204369231.db2.gz OFFLEJIXSGGNPG-ZDUSSCGKSA-N 0 3 343.818 3.113 40 0 biogenic,in-vitro EGABHN CC(C)C[C@@H]1N[C@H](C(=O)N2CCCC2)Cc2c[nH]c3cccc1c23 ZINC000049171426 204369932 /nfs/dbraw/zinc/36/99/32/204369932.db2.gz OBLVYAQFRYSLPK-ROUUACIJSA-N 0 3 325.456 3.392 40 0 biogenic,in-vitro EGABHN CS[C@@H]1CC[C@@H](N(C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000110646107 220050960 /nfs/dbraw/zinc/05/09/60/220050960.db2.gz PQZVUHZHPRKMHH-YNEHKIRRSA-N 0 3 338.439 3.003 40 0 EGABHN COC(=O)c1ccc(CN(C)C2CCN(c3ccccn3)CC2)s1 ZINC000095411644 218349201 /nfs/dbraw/zinc/34/92/01/218349201.db2.gz VTQLXSDRBQSDBZ-UHFFFAOYSA-N 0 3 345.468 3.031 40 0 EGABHN CSc1cccc(N(C(=O)c2cc(C)no2)C2CCN(C)CC2)c1 ZINC000112247808 220273141 /nfs/dbraw/zinc/27/31/41/220273141.db2.gz JJFZFADFQFZNKW-UHFFFAOYSA-N 0 3 345.468 3.446 40 0 EGABHN Brc1ccc(N2CC[C@@H](NCc3cccnc3)C2)cc1 ZINC000096403982 273473532 /nfs/dbraw/zinc/47/35/32/273473532.db2.gz QZXKIVMBGCSOKZ-OAHLLOKOSA-N 0 3 332.245 3.213 40 0 EGABHN CN(C)C[C@@H]1CCCCN1C(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 ZINC000019082429 289190414 /nfs/dbraw/zinc/19/04/14/289190414.db2.gz NDTCEBAFKYOHDQ-GJZGRUSLSA-N 0 3 347.503 3.382 40 0 EGABHN O=C(CNC1CCCC1)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000004894433 452826437 /nfs/dbraw/zinc/82/64/37/452826437.db2.gz BOXKGIZAZIIVON-UHFFFAOYSA-N 0 3 343.471 3.174 40 0 EGABHN CCOc1cc(CN[C@@H](CC)CO)cc(Br)c1OCC ZINC000008326264 453192337 /nfs/dbraw/zinc/19/23/37/453192337.db2.gz JWXRYPQDOSTVIU-LBPRGKRZSA-N 0 3 346.265 3.107 40 0 EGABHN Cc1ccc2c(c1)CN(C(=O)c1cccs1)[C@H](CN(C)C)CO2 ZINC000012406642 453361285 /nfs/dbraw/zinc/36/12/85/453361285.db2.gz ZPMXZQPJLZTZSJ-OAHLLOKOSA-N 0 3 330.453 3.022 40 0 EGABHN CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)C1CCCC1 ZINC000019589204 453657613 /nfs/dbraw/zinc/65/76/13/453657613.db2.gz XATOLWKZEFLATN-GUDVDZBRSA-N 0 3 330.447 3.405 40 0 EGABHN CCN(CC)[C@@H](CNC(=O)c1ccc2c(c1)OCO2)c1ccsc1 ZINC000031987634 453860475 /nfs/dbraw/zinc/86/04/75/453860475.db2.gz LXJCIUMXLHRCJA-HNNXBMFYSA-N 0 3 346.452 3.290 40 0 EGABHN COc1ccc(NCc2n[nH]c([C@@H](N)c3ccc(Cl)cc3)n2)cc1 ZINC000095533971 454230240 /nfs/dbraw/zinc/23/02/40/454230240.db2.gz QNIRLSJGCRJBCF-INIZCTEOSA-N 0 3 343.818 3.127 40 0 EGABHN O=C1CCC2(CCN(Cc3ccncc3)CC2)N1Cc1ccccc1 ZINC000096049422 454271022 /nfs/dbraw/zinc/27/10/22/454271022.db2.gz QYDXJCLPJRLJOU-UHFFFAOYSA-N 0 3 335.451 3.239 40 0 EGABHN c1cc(CN2CCC3(CC2)CN(Cc2cccnc2)CCO3)cs1 ZINC000096048932 454271769 /nfs/dbraw/zinc/27/17/69/454271769.db2.gz NBGVEPCYOQBELU-UHFFFAOYSA-N 0 3 343.496 3.010 40 0 EGABHN COC[C@H]1CC2(CO1)CCN(Cc1ccc3ccccc3n1)CC2 ZINC000096105809 454283761 /nfs/dbraw/zinc/28/37/61/454283761.db2.gz OZYIKXIFEWYWCA-GOSISDBHSA-N 0 3 326.440 3.252 40 0 EGABHN Cc1ccc(N2CCC3(CCN(Cc4ccccn4)CC3)CC2)nn1 ZINC000096158377 454295740 /nfs/dbraw/zinc/29/57/40/454295740.db2.gz WHQPADNEXGUQQA-UHFFFAOYSA-N 0 3 337.471 3.063 40 0 EGABHN Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CCN3Cc2cccs2)n1 ZINC000096186524 454298961 /nfs/dbraw/zinc/29/89/61/454298961.db2.gz JCGJLVVULYJXSB-QZTJIDSGSA-N 0 3 341.480 3.217 40 0 EGABHN Cc1ccccc1CCC(=O)N1CC[C@@]2(C1)CCC[C@@H](CN(C)C)O2 ZINC000096206756 454304688 /nfs/dbraw/zinc/30/46/88/454304688.db2.gz SDYHQTPEXCZHJI-PZJWPPBQSA-N 0 3 344.499 3.029 40 0 EGABHN O=C(CC1CC1)N[C@H]1COCCC12CCN(Cc1cccs1)CC2 ZINC000096209792 454305587 /nfs/dbraw/zinc/30/55/87/454305587.db2.gz XPMNOAWABJXXSQ-KRWDZBQOSA-N 0 3 348.512 3.036 40 0 EGABHN FC1(F)CCN(Cc2ccccc2)C[C@]12CCN(c1ncccn1)C2 ZINC000096239683 454311999 /nfs/dbraw/zinc/31/19/99/454311999.db2.gz DAKBFDRGPWJNAT-SFHVURJKSA-N 0 3 344.409 3.214 40 0 EGABHN CCc1ccc(CN2CCc3ncnc(-c4cccnc4)c3CC2)o1 ZINC000096255312 454312747 /nfs/dbraw/zinc/31/27/47/454312747.db2.gz FYAFTMKLZJLBHX-UHFFFAOYSA-N 0 3 334.423 3.295 40 0 EGABHN Brc1ccc(N2CC[C@H](NCc3ccncc3)C2)cc1 ZINC000096403984 454322416 /nfs/dbraw/zinc/32/24/16/454322416.db2.gz BVXLTIFZVBVQDT-HNNXBMFYSA-N 0 3 332.245 3.213 40 0 EGABHN O=C(c1ncoc1[C@@H]1CCCO1)N1CCC[C@@H](N2CCCCCC2)C1 ZINC000096406355 454324541 /nfs/dbraw/zinc/32/45/41/454324541.db2.gz YHCZQZCAOAWVOR-CVEARBPZSA-N 0 3 347.459 3.007 40 0 EGABHN Cc1nccn1Cc1ccc(NC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC000096427197 454340570 /nfs/dbraw/zinc/34/05/70/454340570.db2.gz UICMZCRIEZLHII-LJQANCHMSA-N 0 3 340.471 3.441 40 0 EGABHN O=C(Nc1ccc(OC2CCC2)c(F)c1)N1CC[C@H](N2CCCC2)C1 ZINC000096452265 454356249 /nfs/dbraw/zinc/35/62/49/454356249.db2.gz IQRAFRSULFERFJ-HNNXBMFYSA-N 0 3 347.434 3.459 40 0 EGABHN CCc1ncc(CNC2CCN(C(=O)C3CCCCC3)CC2)s1 ZINC000096460007 454358824 /nfs/dbraw/zinc/35/88/24/454358824.db2.gz UBPSKTFLCGABEZ-UHFFFAOYSA-N 0 3 335.517 3.366 40 0 EGABHN CCC(CC)C(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000079096449 454367823 /nfs/dbraw/zinc/36/78/23/454367823.db2.gz MTMPIAZJOYPPDE-MRXNPFEDSA-N 0 3 332.488 3.439 40 0 EGABHN C[C@@H]1CCCN(C(=O)CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000096492216 454369855 /nfs/dbraw/zinc/36/98/55/454369855.db2.gz POCLFSSXHASQBC-AOIWGVFYSA-N 0 3 330.472 3.002 40 0 EGABHN CCc1c(NC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cnn1CC(C)C ZINC000096499598 454371104 /nfs/dbraw/zinc/37/11/04/454371104.db2.gz PXAHANOUXZAAQS-CRAIPNDOSA-N 0 3 347.507 3.050 40 0 EGABHN Clc1cc(Cl)cc(CN2CCC(NCc3ncc[nH]3)CC2)c1 ZINC000096502327 454373013 /nfs/dbraw/zinc/37/30/13/454373013.db2.gz WPSZEAOKPZKXJV-UHFFFAOYSA-N 0 3 339.270 3.471 40 0 EGABHN C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000080086817 454531221 /nfs/dbraw/zinc/53/12/21/454531221.db2.gz OWQNMEZCTUYOIS-LSDHHAIUSA-N 0 3 346.446 3.168 40 0 EGABHN CSc1cccc(N(C(=O)C[C@@H]2CCCO2)C2CCN(C)CC2)c1 ZINC000171999565 455107857 /nfs/dbraw/zinc/10/78/57/455107857.db2.gz DQWOURWEJGRTKP-KRWDZBQOSA-N 0 3 348.512 3.405 40 0 EGABHN Cc1cc(F)c(Br)cc1NC(=O)N1CCCN(C)CC1 ZINC000190898651 455400293 /nfs/dbraw/zinc/40/02/93/455400293.db2.gz AJYGJDWFDPMYNZ-UHFFFAOYSA-N 0 3 344.228 3.066 40 0 EGABHN CCOC(=O)[C@H]1CN(Cc2ccccc2)C[C@]12Cc1ccccc1C2=O ZINC000248322753 455704113 /nfs/dbraw/zinc/70/41/13/455704113.db2.gz WWALFQLIWFZCOO-DENIHFKCSA-N 0 3 349.430 3.107 40 0 EGABHN C[C@H]1C[C@@H](NC(=O)C[C@@H]2CCCC[C@H]2O)CCN1Cc1ccccc1 ZINC000253418511 455843201 /nfs/dbraw/zinc/84/32/01/455843201.db2.gz SISXWYHCAQGLEF-FRYIKTPZSA-N 0 3 344.499 3.097 40 0 EGABHN Cc1ccnc([C@@H]2CCN(Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257228444 455879824 /nfs/dbraw/zinc/87/98/24/455879824.db2.gz FTWPIPXVXMWAMZ-CYBMUJFWSA-N 0 3 325.441 3.226 40 0 EGABHN Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3cc(C(C)C)no3)C2)n1 ZINC000257289785 455884321 /nfs/dbraw/zinc/88/43/21/455884321.db2.gz QADXNNSOKBIFOF-CQSZACIVSA-N 0 3 342.443 3.197 40 0 EGABHN CNc1cnc(C[C@H]2CCCN(Cc3scnc3C)CC2)cn1 ZINC000257297340 455885270 /nfs/dbraw/zinc/88/52/70/455885270.db2.gz RGVNCSYQXQTIGS-AWEZNQCLSA-N 0 3 331.489 3.128 40 0 EGABHN c1ccc(CC[N@@H+]2CC[C@H](c3ccnc([N-]c4cnccn4)n3)C2)cc1 ZINC000257307658 455888154 /nfs/dbraw/zinc/88/81/54/455888154.db2.gz SZSIPAMLZQIJMG-KRWDZBQOSA-N 0 3 346.438 3.042 40 0 EGABHN c1ccc(CC[N@H+]2CC[C@H](c3ccnc([N-]c4cnccn4)n3)C2)cc1 ZINC000257307658 455888157 /nfs/dbraw/zinc/88/81/57/455888157.db2.gz SZSIPAMLZQIJMG-KRWDZBQOSA-N 0 3 346.438 3.042 40 0 EGABHN Cc1cccc(CN2CCC[C@H](Cc3cc(-c4ncc[nH]4)ncn3)C2)n1 ZINC000257314314 455888911 /nfs/dbraw/zinc/88/89/11/455888911.db2.gz UWJRVUBUMXPENO-MRXNPFEDSA-N 0 3 348.454 3.025 40 0 EGABHN COc1ncc(CN2CC[C@@H](Cc3ccnc4ccccc34)C2)cn1 ZINC000257320949 455890390 /nfs/dbraw/zinc/89/03/90/455890390.db2.gz VZLJEBMJLJMQRX-HNNXBMFYSA-N 0 3 334.423 3.098 40 0 EGABHN CNc1cnc(C[C@@H]2CCCN(Cc3ccnn3C(C)C)CC2)cn1 ZINC000257329582 455892566 /nfs/dbraw/zinc/89/25/66/455892566.db2.gz XKOSGBALKXNPSP-MRXNPFEDSA-N 0 3 342.491 3.141 40 0 EGABHN CC(=O)Nc1ccc(N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000195552260 455983238 /nfs/dbraw/zinc/98/32/38/455983238.db2.gz SJBMPBACTOFJLE-MGPUTAFESA-N 0 3 338.455 3.363 40 0 EGABHN COC1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCCC1 ZINC000225625850 456098096 /nfs/dbraw/zinc/09/80/96/456098096.db2.gz LKNGFLBMMQICKE-UHFFFAOYSA-N 0 3 346.471 3.449 40 0 EGABHN CCCC[C@@H](C)C(=O)Nc1ccc(CCN2CCN(C)CC2)cc1 ZINC000225692446 456104070 /nfs/dbraw/zinc/10/40/70/456104070.db2.gz ASAIRWNPADFDRV-QGZVFWFLSA-N 0 3 331.504 3.241 40 0 EGABHN CCOC[C@@H]1CCN(C)C2(CN(Cc3ccc4ccccc4n3)C2)C1 ZINC000585103087 459824194 /nfs/dbraw/zinc/82/41/94/459824194.db2.gz PTBCBYGJZZPANP-QGZVFWFLSA-N 0 3 339.483 3.168 40 0 EGABHN Cc1cc(CN2CCC3(CC(NC(=O)OC4CCCC4)C3)CC2)[nH]n1 ZINC000585102927 459824265 /nfs/dbraw/zinc/82/42/65/459824265.db2.gz IZBHBPYRUQLYHX-UHFFFAOYSA-N 0 3 346.475 3.132 40 0 EGABHN Cc1cc(CN2CCC3(CC(NC(=O)OC4CCCC4)C3)CC2)n[nH]1 ZINC000585102927 459824268 /nfs/dbraw/zinc/82/42/68/459824268.db2.gz IZBHBPYRUQLYHX-UHFFFAOYSA-N 0 3 346.475 3.132 40 0 EGABHN Cc1ccc(C(=O)N2CCC[C@]3(CCN3C[C@H]3CCCO3)C2)c(C)c1 ZINC000585102046 459824505 /nfs/dbraw/zinc/82/45/05/459824505.db2.gz OPLGIKQLYLIBCZ-NQIIRXRSSA-N 0 3 342.483 3.163 40 0 EGABHN O=C(NCC1CCN([C@@H]2CCOC2)CC1)c1cc2ccccc2s1 ZINC000575605884 459980099 /nfs/dbraw/zinc/98/00/99/459980099.db2.gz HTNCWEMUOSVYOE-MRXNPFEDSA-N 0 3 344.480 3.132 40 0 EGABHN CC(=O)NC1CCC(NCc2cccc(C)c2Br)CC1 ZINC000191540854 526701252 /nfs/dbraw/zinc/70/12/52/526701252.db2.gz DCVGNCLUNZQYLS-UHFFFAOYSA-N 0 3 339.277 3.294 40 0 EGABHN COc1cccc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1OC ZINC000019842173 202023342 /nfs/dbraw/zinc/02/33/42/202023342.db2.gz VJLNIMQTDUUJFE-AOIWGVFYSA-N 0 3 342.483 3.034 40 0 EGABHN O=C(Cc1ccccc1Cl)NCC1CCN(c2ccncc2)CC1 ZINC000070928517 202338222 /nfs/dbraw/zinc/33/82/22/202338222.db2.gz PKKCSPZUIXQFOT-UHFFFAOYSA-N 0 3 343.858 3.310 40 0 EGABHN COc1ccc(CN2CC[C@H](O)[C@H](C)C2)cc1Cc1c(C)noc1C ZINC000036740613 202330854 /nfs/dbraw/zinc/33/08/54/202330854.db2.gz IBMUQVSENUPZIY-YJYMSZOUSA-N 0 3 344.455 3.094 40 0 EGABHN Cc1noc(C)c1CC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000036753153 202331137 /nfs/dbraw/zinc/33/11/37/202331137.db2.gz YWEKZUCUVYGXTF-LJQANCHMSA-N 0 3 341.455 3.177 40 0 EGABHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)/C=C/c1ccncc1 ZINC000077140381 202384581 /nfs/dbraw/zinc/38/45/81/202384581.db2.gz RHFOZEKTCMDBOH-BLGFXRMMSA-N 0 3 335.451 3.218 40 0 EGABHN O=C(COc1cccc(F)c1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000022463333 212299093 /nfs/dbraw/zinc/29/90/93/212299093.db2.gz SVQDWQWHPBUPBX-IBGZPJMESA-N 0 3 342.414 3.158 40 0 EGABHN CC(C)[C@@H](N)c1nnc2ccc(-c3ccc(Br)cc3)nn21 ZINC000217565971 241258488 /nfs/dbraw/zinc/25/84/88/241258488.db2.gz MNQWOTDROBRFOA-CQSZACIVSA-N 0 3 346.232 3.210 40 0 EGABHN COc1ccc(C)cc1[C@H](C)NC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000230192454 242247972 /nfs/dbraw/zinc/24/79/72/242247972.db2.gz QNVQELPUXOIYMT-XYJFISCASA-N 0 3 345.487 3.190 40 0 EGABHN Cc1cc2ncc([C@@H](C)NCCc3cn4cccc(C)c4n3)c(C)n2n1 ZINC000091732161 203075707 /nfs/dbraw/zinc/07/57/07/203075707.db2.gz BZGYYMSZAIMLFW-OAHLLOKOSA-N 0 3 348.454 3.196 40 0 EGABHN CC(=O)N1CC[C@H](CN(C)Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000092101253 203078542 /nfs/dbraw/zinc/07/85/42/203078542.db2.gz UKUGDTPUYUGQFY-GFCCVEGCSA-N 0 3 332.341 3.145 40 0 EGABHN Cc1nn(C)c2nc([C@@]3(C)CCCN(Cc4cccnc4)C3)ccc12 ZINC000257204927 244130952 /nfs/dbraw/zinc/13/09/52/244130952.db2.gz AWWZLHBDLPFOLV-FQEVSTJZSA-N 0 3 335.455 3.225 40 0 EGABHN Cc1cc2ccccc2n1CC(=O)N1CC[C@@H]2[C@H]1CCCCN2C ZINC000257207554 244141066 /nfs/dbraw/zinc/14/10/66/244141066.db2.gz BIHIOEMCASOOLV-RTBURBONSA-N 0 3 325.456 3.035 40 0 EGABHN Cc1nn(C)c2nc([C@@]3(C)CCCN(Cc4ccccn4)C3)ccc12 ZINC000257211907 244154682 /nfs/dbraw/zinc/15/46/82/244154682.db2.gz CAZYASNACIGGGL-FQEVSTJZSA-N 0 3 335.455 3.225 40 0 EGABHN Cc1nc([C@@H]2CCCN2)nc2c1CCCN2Cc1ccc(F)cc1 ZINC000257247008 244261788 /nfs/dbraw/zinc/26/17/88/244261788.db2.gz IWYFHYNAALKZEI-KRWDZBQOSA-N 0 3 326.419 3.301 40 0 EGABHN C[C@@H]1CCCCN1Cc1cc(-c2ccc(F)cc2)cn2nnnc12 ZINC000072392329 203213239 /nfs/dbraw/zinc/21/32/39/203213239.db2.gz BHLAEYKCMVHKLF-CYBMUJFWSA-N 0 3 325.391 3.305 40 0 EGABHN OC1(Cn2ccc3ccncc32)CCN(Cc2cccs2)CC1 ZINC000072397031 203213577 /nfs/dbraw/zinc/21/35/77/203213577.db2.gz IDCWXGUEEMLEIF-UHFFFAOYSA-N 0 3 327.453 3.125 40 0 EGABHN c1ccc(CO[C@H]2COC3(C2)CCN(Cc2cccnc2)CC3)cc1 ZINC000096047862 203805808 /nfs/dbraw/zinc/80/58/08/203805808.db2.gz JVSRZRGLIQTNRO-HXUWFJFHSA-N 0 3 338.451 3.422 40 0 EGABHN Cn1ccc(C(=O)N[C@@H]2CCC23CCN(Cc2cccs2)CC3)c1 ZINC000096051686 203811028 /nfs/dbraw/zinc/81/10/28/203811028.db2.gz INNMIXMGAACUDH-QGZVFWFLSA-N 0 3 343.496 3.261 40 0 EGABHN CCS(=O)(=O)c1ccc2oc([C@H]3CCN(CC(C)C)C3)nc2c1 ZINC000049169125 204370131 /nfs/dbraw/zinc/37/01/31/204370131.db2.gz VPYMZWFNVAOBOR-ZDUSSCGKSA-N 0 3 336.457 3.067 40 0 biogenic,in-vitro EGABHN FC(F)(F)CN1CC[C@@H](N[C@@H](c2ccccc2)c2ccncc2)C1 ZINC000095420996 218362052 /nfs/dbraw/zinc/36/20/52/218362052.db2.gz KFUKSQNHQYUDPH-SJORKVTESA-N 0 3 335.373 3.397 40 0 EGABHN C[C@@H]1C[C@@H](NCc2ccc([S@](C)=O)cc2)CN1c1ccccc1 ZINC000085330554 274393018 /nfs/dbraw/zinc/39/30/18/274393018.db2.gz XBRDIAKRCDIBDP-QDOIMOTRSA-N 0 3 328.481 3.181 40 0 EGABHN CCN(CC)CCOC(=O)[C@@H](c1ccccc1)[C@H](O)C1=CCCC1 ZINC000001593585 279107947 /nfs/dbraw/zinc/10/79/47/279107947.db2.gz QEDNEDZUHNKWMR-RBUKOAKNSA-N 0 3 331.456 3.126 40 0 EGABHN CCN1CCC2(CC1)C[C@@H](NC(=O)c1ccco1)c1ccccc1O2 ZINC000096242702 279263096 /nfs/dbraw/zinc/26/30/96/279263096.db2.gz QDURDDWWWVWUDT-MRXNPFEDSA-N 0 3 340.423 3.388 40 0 EGABHN CCN1CC[C@@H](NCc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000414544609 309087734 /nfs/dbraw/zinc/08/77/34/309087734.db2.gz PECXYSHZTWPPPJ-MRXNPFEDSA-N 0 3 332.879 3.326 40 0 EGABHN Cc1c(-c2cc(CN3CCC[C@@H](c4ccncc4)C3)on2)cnn1C ZINC000295704698 308352310 /nfs/dbraw/zinc/35/23/10/308352310.db2.gz FPWCEZOCQZEHJU-MRXNPFEDSA-N 0 3 337.427 3.158 40 0 EGABHN CC(C)c1ccccc1OC[C@@H](O)CN(CCO)Cc1ccccc1 ZINC000002694325 452714970 /nfs/dbraw/zinc/71/49/70/452714970.db2.gz STGDNMJDWDAYQL-IBGZPJMESA-N 0 3 343.467 3.044 40 0 EGABHN COc1cc(CNC(C)(C)CO)ccc1OCCc1ccccc1 ZINC000006883138 453004813 /nfs/dbraw/zinc/00/48/13/453004813.db2.gz QTJGTHBNFNNVFV-UHFFFAOYSA-N 0 3 329.440 3.177 40 0 EGABHN CSc1ccc(CN(C)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000007495457 453081797 /nfs/dbraw/zinc/08/17/97/453081797.db2.gz ZPRWPAXBDUPAAV-UHFFFAOYSA-N 0 3 340.448 3.137 40 0 EGABHN O=C(Nc1ccc(SCCN2CCCC2)nn1)c1cccc(F)c1 ZINC000011738021 453333413 /nfs/dbraw/zinc/33/34/13/453333413.db2.gz DDBHATPDKFLXIG-UHFFFAOYSA-N 0 3 346.431 3.056 40 0 EGABHN Cc1cc(C)n(C[C@@H](O)CN(Cc2ccco2)C[C@H]2CC=CCC2)n1 ZINC000012186001 453347297 /nfs/dbraw/zinc/34/72/97/453347297.db2.gz CPLVJSANCGWLTC-OALUTQOASA-N 0 3 343.471 3.312 40 0 EGABHN COc1ccc(C2(O)CCN(C[C@H](O)c3ccc(C)cc3)CC2)cc1 ZINC000012292192 453353297 /nfs/dbraw/zinc/35/32/97/453353297.db2.gz JUVYGYQLFSRMOI-FQEVSTJZSA-N 0 3 341.451 3.021 40 0 EGABHN O[C@]1(c2cccnc2)CCC[C@@H]2CN(Cc3c(F)cccc3F)C[C@@H]21 ZINC000012337139 453357096 /nfs/dbraw/zinc/35/70/96/453357096.db2.gz SWBIKSIPDQMZTB-LIVBEALHSA-N 0 3 344.405 3.480 40 0 EGABHN Cc1ccc(CN(CCCN2CCOCC2)Cc2cccnc2)cc1 ZINC000013569030 453472688 /nfs/dbraw/zinc/47/26/88/453472688.db2.gz MEXDATPIOIVAKZ-UHFFFAOYSA-N 0 3 339.483 3.115 40 0 EGABHN CN(Cc1ccc(-n2cccn2)cc1)C[C@@H]1COc2ccccc2O1 ZINC000016378829 453604833 /nfs/dbraw/zinc/60/48/33/453604833.db2.gz JMCSRWYWSOGAHZ-GOSISDBHSA-N 0 3 335.407 3.144 40 0 EGABHN COc1ccc(C)cc1CN1C[C@@H]2CC[C@@](O)(c3ccccn3)[C@@H]2C1 ZINC000019133213 453654463 /nfs/dbraw/zinc/65/44/63/453654463.db2.gz KEIJZPQCLZFUQA-CDXJDZJCSA-N 0 3 338.451 3.128 40 0 EGABHN CO[C@H](C(=O)NC[C@H](c1ccc(C)cc1)N(C)C)c1ccccc1 ZINC000067267507 453916040 /nfs/dbraw/zinc/91/60/40/453916040.db2.gz UIXSNYXSNQXSTR-MOPGFXCFSA-N 0 3 326.440 3.102 40 0 EGABHN O[C@H](COCc1ccccc1Cl)CN1CCc2ccccc2C1 ZINC000068048088 453991802 /nfs/dbraw/zinc/99/18/02/453991802.db2.gz UCRQLAFRTBZXLN-SFHVURJKSA-N 0 3 331.843 3.276 40 0 EGABHN C[C@@H]1C[C@H](NCc2ccc([S@](C)=O)cc2)CN1c1ccccc1 ZINC000085330550 454022847 /nfs/dbraw/zinc/02/28/47/454022847.db2.gz XBRDIAKRCDIBDP-LPXYKDPNSA-N 0 3 328.481 3.181 40 0 EGABHN Cc1ncsc1CNc1cccc(CN2CCC(CO)CC2)c1 ZINC000086258314 454046132 /nfs/dbraw/zinc/04/61/32/454046132.db2.gz MIPNKSXJFMYTJO-UHFFFAOYSA-N 0 3 331.485 3.268 40 0 EGABHN CN(CC1CCN(C)CC1)C(=O)N[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000077611927 454130644 /nfs/dbraw/zinc/13/06/44/454130644.db2.gz SAZINDBTUUMOLD-IRXDYDNUSA-N 0 3 335.879 3.179 40 0 EGABHN CC[C@@H](NC(=O)N1CC[C@@H](N2CCCC2)C1)c1cc(F)ccc1F ZINC000077873301 454165048 /nfs/dbraw/zinc/16/50/48/454165048.db2.gz XESIRCUUUJEKJY-RHSMWYFYSA-N 0 3 337.414 3.296 40 0 EGABHN O=C(CNC1CC1)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000095466790 454219024 /nfs/dbraw/zinc/21/90/24/454219024.db2.gz SWVWUGPOYGMBQW-QGZVFWFLSA-N 0 3 342.418 3.021 40 0 EGABHN c1cc(CN2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)co1 ZINC000096040088 454266636 /nfs/dbraw/zinc/26/66/36/454266636.db2.gz CNHUYGNMIJEEPX-UXHICEINSA-N 0 3 342.439 3.263 40 0 EGABHN O=C1N(Cc2ccccn2)CCC12CCN(Cc1cccs1)CC2 ZINC000096046895 454269868 /nfs/dbraw/zinc/26/98/68/454269868.db2.gz BDPDSBDYKLLWEZ-UHFFFAOYSA-N 0 3 341.480 3.158 40 0 EGABHN COc1ccc(N[C@@H]2CO[C@]3(CCN(Cc4ccoc4)C3)C2)cc1 ZINC000096047607 454270346 /nfs/dbraw/zinc/27/03/46/454270346.db2.gz ALNHPADQVLGLED-PKOBYXMFSA-N 0 3 328.412 3.134 40 0 EGABHN O=C1COC2(CCN(Cc3ccsc3)CC2)CN1c1ccsc1 ZINC000096049247 454271906 /nfs/dbraw/zinc/27/19/06/454271906.db2.gz OOOHRYFGXBZJBB-UHFFFAOYSA-N 0 3 348.493 3.208 40 0 EGABHN Fc1ccc(CN2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc1 ZINC000096055152 454274394 /nfs/dbraw/zinc/27/43/94/454274394.db2.gz SKEOIBJYTBPYOI-AZUAARDMSA-N 0 3 344.405 3.302 40 0 EGABHN C[C@H]1CN(Cc2ccsc2)CC[C@]12CC[C@@H](C(=O)NCC1CC1)O2 ZINC000096061281 454276422 /nfs/dbraw/zinc/27/64/22/454276422.db2.gz UZJFZDCVTDGBPT-UCLAIMLFSA-N 0 3 348.512 3.034 40 0 EGABHN Cc1ccc(CN2CC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)s1 ZINC000096072511 454280460 /nfs/dbraw/zinc/28/04/60/454280460.db2.gz LTLFTHGJBMNQKT-FUHWJXTLSA-N 0 3 330.453 3.264 40 0 EGABHN Cc1ccc(CN2CCC3(C[C@@H](OCC4CCOCC4)CO3)CC2)o1 ZINC000096106685 454285033 /nfs/dbraw/zinc/28/50/33/454285033.db2.gz ODCDSGXQQBKPRD-LJQANCHMSA-N 0 3 349.471 3.155 40 0 EGABHN COc1ccc(C[C@H]2CN(Cc3ccncc3)CC[C@H]2OC)cc1 ZINC000096110237 454286228 /nfs/dbraw/zinc/28/62/28/454286228.db2.gz HNOUKBKHHYFUOK-AZUAARDMSA-N 0 3 326.440 3.170 40 0 EGABHN COc1ccccc1CNC[C@H]1Cn2cc(-c3ccccc3)nc2CO1 ZINC000096112885 454287028 /nfs/dbraw/zinc/28/70/28/454287028.db2.gz SYCKSFUMTFUICX-SFHVURJKSA-N 0 3 349.434 3.247 40 0 biogenic,in-vitro EGABHN Cc1noc(C)c1CN1C[C@@H](C)[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC000096201769 454303086 /nfs/dbraw/zinc/30/30/86/454303086.db2.gz FOOVQNJBYUTZRJ-KZULUSFZSA-N 0 3 345.468 3.228 40 0 EGABHN Cc1noc(C)c1CN1CCC[C@@]2(CCN(Cc3ccco3)C2)C1 ZINC000096215981 454305182 /nfs/dbraw/zinc/30/51/82/454305182.db2.gz NLQWLXFOUMHJBC-LJQANCHMSA-N 0 3 329.444 3.373 40 0 EGABHN Cc1ccc(CN2C[C@H]3c4ccccc4[C@H](NC(=O)N(C)C)[C@H]3C2)o1 ZINC000096251717 454313459 /nfs/dbraw/zinc/31/34/59/454313459.db2.gz WMTPVIRYBUDQRR-FHWLQOOXSA-N 0 3 339.439 3.130 40 0 EGABHN CN1CCC[C@@]2(C1)CN(Cc1ccc(C(F)(F)F)cc1)CCO2 ZINC000096268594 454314858 /nfs/dbraw/zinc/31/48/58/454314858.db2.gz QCBSLZJODUVFDU-MRXNPFEDSA-N 0 3 328.378 3.002 40 0 EGABHN COc1ccccc1CNC[C@H]1Cn2c(-c3ccccc3)cnc2CO1 ZINC000096296447 454317123 /nfs/dbraw/zinc/31/71/23/454317123.db2.gz GTDLAISUIZIAJV-SFHVURJKSA-N 0 3 349.434 3.247 40 0 biogenic,in-vitro EGABHN Cc1nnc(-c2ccc(NC(=O)N[C@H](C)CN3CCCCC3)cc2)o1 ZINC000096447267 454354423 /nfs/dbraw/zinc/35/44/23/454354423.db2.gz WFASLXJKKSXHIF-CYBMUJFWSA-N 0 3 343.431 3.041 40 0 EGABHN C[C@H](CN[C@@H]1CCCC[C@@H]1S(C)(=O)=O)c1ccc(F)cc1F ZINC000096491672 454368329 /nfs/dbraw/zinc/36/83/29/454368329.db2.gz DWTLJCHKNYFOKD-LYRGGWFBSA-N 0 3 331.428 3.014 40 0 EGABHN C[C@H](CNC(=O)c1ccc(Br)cc1)N1CCC[C@@H](C)C1 ZINC000109034228 454820097 /nfs/dbraw/zinc/82/00/97/454820097.db2.gz LLAZDTFCIPMRPW-CHWSQXEVSA-N 0 3 339.277 3.299 40 0 EGABHN CCc1nc(C(=O)N(CC)[C@@H]2CCN([C@H](C)c3ccccc3)C2)c[nH]1 ZINC000110665057 454851266 /nfs/dbraw/zinc/85/12/66/454851266.db2.gz RXBKRUBEGBTBHF-NVXWUHKLSA-N 0 3 340.471 3.270 40 0 EGABHN CCc1nc2c(s1)[C@H](N[C@H]1CCN(c3ncccc3F)C1)CCC2 ZINC000168175393 454926140 /nfs/dbraw/zinc/92/61/40/454926140.db2.gz ZSFCETMPHHSSMS-GXTWGEPZSA-N 0 3 346.475 3.486 40 0 EGABHN COCc1nc(CNc2cccc3c2CN([C@H](C)C(C)C)C3)no1 ZINC000182492615 455524951 /nfs/dbraw/zinc/52/49/51/455524951.db2.gz GNCUTXSVIGXMHX-CYBMUJFWSA-N 0 3 330.432 3.188 40 0 EGABHN Cc1ccc(CC(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)cn1 ZINC000247482873 455609760 /nfs/dbraw/zinc/60/97/60/455609760.db2.gz SWSJASRWIZTGPB-QFBILLFUSA-N 0 3 343.496 3.193 40 0 EGABHN CCc1onc(C)c1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248941407 455739701 /nfs/dbraw/zinc/73/97/01/455739701.db2.gz YUHVTNHFIVRUPX-CZUORRHYSA-N 0 3 342.443 3.187 40 0 EGABHN Cn1cc(CN2CCC3(CO[C@H](Cc4cccc(F)c4)C3)CC2)cn1 ZINC000257306818 455887584 /nfs/dbraw/zinc/88/75/84/455887584.db2.gz SWCBAVKHKYZHLA-LJQANCHMSA-N 0 3 343.446 3.173 40 0 EGABHN COc1cccc2c1CC[C@@H]2N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000195540596 455982465 /nfs/dbraw/zinc/98/24/65/455982465.db2.gz QGGVCJSGNWAMFM-UGSOOPFHSA-N 0 3 345.464 3.437 40 0 EGABHN CC(C)N1CCC(Nc2cccc(CS(=O)(=O)C(C)C)c2)CC1 ZINC000195558685 455985084 /nfs/dbraw/zinc/98/50/84/455985084.db2.gz AVTCHJQPYRRUBG-UHFFFAOYSA-N 0 3 338.517 3.295 40 0 EGABHN c1cc(-c2ccc3nc([C@H]4CCCN(CC5CC5)C4)nn3c2)ccn1 ZINC000306144113 456569812 /nfs/dbraw/zinc/56/98/12/456569812.db2.gz YWISOWQPYCDBDJ-SFHVURJKSA-N 0 3 333.439 3.381 40 0 EGABHN C[C@@H]1CCN(C(=O)c2c[nH]c3cccnc23)CCN1Cc1ccccc1 ZINC000329891225 456957005 /nfs/dbraw/zinc/95/70/05/456957005.db2.gz HNTIHDUOHLPEBV-MRXNPFEDSA-N 0 3 348.450 3.300 40 0 EGABHN O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1NCc1cccnc1 ZINC000585288594 459833921 /nfs/dbraw/zinc/83/39/21/459833921.db2.gz FLSJPZFDPYYABJ-RCCFBDPRSA-N 0 3 332.831 3.186 40 0 EGABHN Cc1ccc([C@@H](O)CN2CCC(O)(c3ccccc3F)CC2)cc1 ZINC000012292162 201835176 /nfs/dbraw/zinc/83/51/76/201835176.db2.gz CFRDMUGCMHWEEH-IBGZPJMESA-N 0 3 329.415 3.151 40 0 EGABHN CCN1CCC[C@@H]1CN(Cc1ccccn1)Cc1cccnc1NC ZINC000019527197 202009766 /nfs/dbraw/zinc/00/97/66/202009766.db2.gz BLRIHZZDFBLDBT-LJQANCHMSA-N 0 3 339.487 3.005 40 0 EGABHN COc1ccc(-c2cc([C@@H]3CCN(Cc4cccnc4)C3)[nH]n2)cc1 ZINC000019557940 202011299 /nfs/dbraw/zinc/01/12/99/202011299.db2.gz NQLCZQIEKQHEHX-QGZVFWFLSA-N 0 3 334.423 3.470 40 0 EGABHN c1c(CC2(NCC3CCCCC3)COC2)noc1-c1ccccn1 ZINC000067898245 202041329 /nfs/dbraw/zinc/04/13/29/202041329.db2.gz BJQNIDWPFLBUOS-UHFFFAOYSA-N 0 3 327.428 3.218 40 0 biogenic,in-vitro EGABHN COc1ccc(CNCCC(=O)Nc2cccc(Cl)c2C)cc1O ZINC000078394231 202390308 /nfs/dbraw/zinc/39/03/08/202390308.db2.gz IHVXHANHNCXXCH-UHFFFAOYSA-N 0 3 348.830 3.481 40 0 EGABHN Cc1cccc(NC2CCN(C[C@@H](O)c3cccc(F)c3)CC2)n1 ZINC000077316499 202391849 /nfs/dbraw/zinc/39/18/49/202391849.db2.gz ZWQNRZHMVIMGQY-GOSISDBHSA-N 0 3 329.419 3.139 40 0 EGABHN COc1cc(OC)cc([C@@H](O)CNCc2sccc2Cl)c1 ZINC000193113042 240027686 /nfs/dbraw/zinc/02/76/86/240027686.db2.gz VIZBKONCPNNFGI-AWEZNQCLSA-N 0 3 327.833 3.242 40 0 EGABHN Cn1nccc1C1CCN(Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000092810560 203086620 /nfs/dbraw/zinc/08/66/20/203086620.db2.gz VWTFJTGXMMXUOY-UHFFFAOYSA-N 0 3 349.438 3.382 40 0 EGABHN CCCc1cc(C(=O)N2CC[C@H](c3cc(N(C)C)cc(C)n3)C2)no1 ZINC000257200664 244118015 /nfs/dbraw/zinc/11/80/15/244118015.db2.gz AEINDEBCRGHVLX-AWEZNQCLSA-N 0 3 342.443 3.026 40 0 EGABHN c1cc(C[C@@H]2CCCN(Cc3cnc(-c4ccccc4)nc3)C2)n[nH]1 ZINC000257232646 244216598 /nfs/dbraw/zinc/21/65/98/244216598.db2.gz GLVABZNWDDCADE-INIZCTEOSA-N 0 3 333.439 3.321 40 0 EGABHN c1cncc(Oc2nccnc2[C@@H]2CCCN(C3CCOCC3)C2)c1 ZINC000072384251 203210736 /nfs/dbraw/zinc/21/07/36/203210736.db2.gz GUWHMBUXCIMZMS-OAHLLOKOSA-N 0 3 340.427 3.022 40 0 EGABHN Cc1sc2c([C@@H]3CCCN(Cc4cnn(C)c4)C3)nc(C)n2c1C ZINC000072351265 203205507 /nfs/dbraw/zinc/20/55/07/203205507.db2.gz KQNVVLPPBRSSGB-MRXNPFEDSA-N 0 3 343.500 3.434 40 0 EGABHN CCC[C@H](c1nnnn1C(C)(C)CC)N1CCN(C2CCCC2)CC1 ZINC000019501854 212034049 /nfs/dbraw/zinc/03/40/49/212034049.db2.gz SPEDDQJABAUJIR-QGZVFWFLSA-N 0 3 348.539 3.220 40 0 EGABHN COc1ccc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)cc1 ZINC000107751992 204247067 /nfs/dbraw/zinc/24/70/67/204247067.db2.gz BSSPCZNYZFNVOZ-SFTDATJTSA-N 0 3 345.483 3.493 40 0 EGABHN Cc1ccc(CN2C[C@@H]3[C@H](CC(=O)NCc4ccco4)[C@@H]3C2)s1 ZINC000107745959 204247852 /nfs/dbraw/zinc/24/78/52/204247852.db2.gz YZVYYNGPNGUFFP-BJWYYQGGSA-N 0 3 330.453 3.034 40 0 EGABHN Cc1cc(N(C)C)cc(C)c1NC(=O)N1CCC(N2CC=CC2)CC1 ZINC000102317076 206382441 /nfs/dbraw/zinc/38/24/41/206382441.db2.gz OTZOUMAQGBXGAB-UHFFFAOYSA-N 0 3 342.487 3.238 40 0 EGABHN CNCc1cccc(NC(=O)Cc2ccccc2Br)c1 ZINC000095427852 218370062 /nfs/dbraw/zinc/37/00/62/218370062.db2.gz DAWYLZWCRDDLKQ-UHFFFAOYSA-N 0 3 333.229 3.350 40 0 EGABHN CSc1cccc(N(C(=O)c2cnsn2)C2CCN(C)CC2)c1 ZINC000112247950 220272303 /nfs/dbraw/zinc/27/23/03/220272303.db2.gz JPJFNDOCJOWTMY-UHFFFAOYSA-N 0 3 348.497 3.001 40 0 EGABHN COC[C@H](N[C@@H]1CCCN(c2cccnn2)C1)c1ccc(Cl)cc1 ZINC000194102119 274050821 /nfs/dbraw/zinc/05/08/21/274050821.db2.gz XAOWKMCRJGQYNQ-SJORKVTESA-N 0 3 346.862 3.076 40 0 EGABHN Fc1cnc(N2CCC3(C2)CCN(Cc2cccc(F)c2)CC3)nc1 ZINC000096062886 274915637 /nfs/dbraw/zinc/91/56/37/274915637.db2.gz OAKOYLLSTCXKKC-UHFFFAOYSA-N 0 3 344.409 3.247 40 0 EGABHN CC(C)(C)OC(=O)N1CCC[C@@H]1CNCc1ccc(Cl)nc1 ZINC000072203351 278391201 /nfs/dbraw/zinc/39/12/01/278391201.db2.gz IAULGULSVNYHHL-CYBMUJFWSA-N 0 3 325.840 3.224 40 0 EGABHN CCN(CC)CCOC(=O)[C@@](O)(c1ccccc1)c1ccc(C)cc1 ZINC000001710821 452674936 /nfs/dbraw/zinc/67/49/36/452674936.db2.gz BLAYYINNKMRCSQ-OAQYLSRUSA-N 0 3 341.451 3.116 40 0 EGABHN Cn1c(C(=O)N2CCN(C3CCCCC3)CC2)cc2sccc21 ZINC000004971146 452830490 /nfs/dbraw/zinc/83/04/90/452830490.db2.gz YRKWCCNPKHQJNC-UHFFFAOYSA-N 0 3 331.485 3.330 40 0 EGABHN Cc1nc2c3ccccc3nc(SCCN3CCCCC3)n2n1 ZINC000009939984 453268283 /nfs/dbraw/zinc/26/82/83/453268283.db2.gz WIYJJRGXRLCLDF-UHFFFAOYSA-N 0 3 327.457 3.164 40 0 EGABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)Cc1ccccc1C ZINC000010544232 453295775 /nfs/dbraw/zinc/29/57/75/453295775.db2.gz GQCQGALMXPLVPU-GOSISDBHSA-N 0 3 338.517 3.069 40 0 EGABHN O[C@]1(c2ccc(F)cc2)CCC[C@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000013266188 453455748 /nfs/dbraw/zinc/45/57/48/453455748.db2.gz JYZMRAZKRRPYGD-VDGAXYAQSA-N 0 3 326.415 3.340 40 0 EGABHN Oc1cccc(CN2CCC[C@H](c3noc(-c4ccccn4)n3)C2)c1 ZINC000019402983 453656550 /nfs/dbraw/zinc/65/65/50/453656550.db2.gz SQWPLQWMABNFIQ-HNNXBMFYSA-N 0 3 336.395 3.217 40 0 EGABHN CCn1c(C)cc(O)c([C@@H](c2ccncc2)N2CCC(C)CC2)c1=O ZINC000022697488 453697353 /nfs/dbraw/zinc/69/73/53/453697353.db2.gz VANPAXYTRDKDHW-LJQANCHMSA-N 0 3 341.455 3.099 40 0 EGABHN Cc1nnc([C@H](C)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)o1 ZINC000190796637 455384111 /nfs/dbraw/zinc/38/41/11/455384111.db2.gz UQXBQEGIPNKHGY-HNNXBMFYSA-N 0 3 343.475 3.390 40 0 EGABHN c1coc(CN2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)c1 ZINC000096040218 454266739 /nfs/dbraw/zinc/26/67/39/454266739.db2.gz JJXWLGXJZZLBOO-UXHICEINSA-N 0 3 342.439 3.263 40 0 EGABHN O=C(c1cccs1)N1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC000096046520 454269917 /nfs/dbraw/zinc/26/99/17/454269917.db2.gz HXVXHLLCSPCUDM-UHFFFAOYSA-N 0 3 341.480 3.271 40 0 EGABHN c1csc(CN2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)c1 ZINC000096048235 454271536 /nfs/dbraw/zinc/27/15/36/454271536.db2.gz OWTUZEKXYHYKHL-WMZOPIPTSA-N 0 3 330.453 3.346 40 0 EGABHN CN(Cc1ccco1)[C@H]1CCC12CCN(C(=O)N1CCCC1)CC2 ZINC000096051609 454272338 /nfs/dbraw/zinc/27/23/38/454272338.db2.gz OPKYCPYQTSFPOR-KRWDZBQOSA-N 0 3 331.460 3.172 40 0 EGABHN CN(C)[C@@H](CNC(=O)N1CCc2ccc(F)cc21)c1ccccc1 ZINC000060216933 454274137 /nfs/dbraw/zinc/27/41/37/454274137.db2.gz WLRIMZAPDIPRHJ-SFHVURJKSA-N 0 3 327.403 3.201 40 0 EGABHN c1cc(CN2CC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)cs1 ZINC000096107799 454286214 /nfs/dbraw/zinc/28/62/14/454286214.db2.gz JTFDHFZONJECPW-MSOLQXFVSA-N 0 3 330.453 3.093 40 0 EGABHN COc1ccc(C[C@H]2CN(Cc3cccnc3)CC[C@@H]2OC)cc1 ZINC000096110550 454286857 /nfs/dbraw/zinc/28/68/57/454286857.db2.gz RYEDQNVICSMVBU-ICSRJNTNSA-N 0 3 326.440 3.170 40 0 EGABHN Fc1ccc(CNC[C@H]2Cn3cc(-c4ccccc4)nc3CO2)cc1 ZINC000096112888 454287365 /nfs/dbraw/zinc/28/73/65/454287365.db2.gz NAQAAPFVZPEGHO-SFHVURJKSA-N 0 3 337.398 3.378 40 0 biogenic,in-vitro EGABHN COc1ccc(C[C@H]2CN(Cc3c(C)noc3C)CC[C@H]2OC)cc1 ZINC000096207996 454304198 /nfs/dbraw/zinc/30/41/98/454304198.db2.gz WBPZNOVAHPTCBU-FXAWDEMLSA-N 0 3 344.455 3.380 40 0 EGABHN Cc1ccc(CN2CCC[C@@]3(CCN(Cc4ccccn4)C3)C2)o1 ZINC000096215881 454305262 /nfs/dbraw/zinc/30/52/62/454305262.db2.gz SRPXCCVLRWNTKE-HXUWFJFHSA-N 0 3 325.456 3.471 40 0 EGABHN Cc1ccc(CN2CCC[C@@]3(CCN(C(=O)c4ccc[nH]4)C3)C2)o1 ZINC000096215917 454305440 /nfs/dbraw/zinc/30/54/40/454305440.db2.gz RZWCNMIZXCBSFW-LJQANCHMSA-N 0 3 327.428 3.044 40 0 EGABHN CC(C)C(=O)N1CC[C@@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216456 454306798 /nfs/dbraw/zinc/30/67/98/454306798.db2.gz UUQYVCGNFSXBMJ-FQEVSTJZSA-N 0 3 330.472 3.036 40 0 EGABHN c1csc(CNC[C@H]2Cn3cc(-c4ccccc4)nc3CO2)c1 ZINC000096269382 454314918 /nfs/dbraw/zinc/31/49/18/454314918.db2.gz QKGACOMLWCGYDI-HNNXBMFYSA-N 0 3 325.437 3.300 40 0 biogenic,in-vitro EGABHN CC/C=C(\C)C(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000096406032 454324208 /nfs/dbraw/zinc/32/42/08/454324208.db2.gz POMGNADPRAIGOH-QLGNDSFESA-N 0 3 330.472 3.359 40 0 EGABHN O=C(c1ncoc1[C@@H]1CCCO1)N1CCC[C@H](N2CCCCCC2)C1 ZINC000096406353 454324427 /nfs/dbraw/zinc/32/44/27/454324427.db2.gz YHCZQZCAOAWVOR-HOTGVXAUSA-N 0 3 347.459 3.007 40 0 EGABHN CN(C)[C@@H](CNC(=O)Nc1cccs1)c1ccc2c(c1)CCO2 ZINC000090607304 454327766 /nfs/dbraw/zinc/32/77/66/454327766.db2.gz JCZNOUCREXWTED-AWEZNQCLSA-N 0 3 331.441 3.107 40 0 EGABHN Cc1nnc(-c2ccc(NC(=O)N[C@@H](C)CN3CCCCC3)cc2)o1 ZINC000096447266 454354072 /nfs/dbraw/zinc/35/40/72/454354072.db2.gz WFASLXJKKSXHIF-ZDUSSCGKSA-N 0 3 343.431 3.041 40 0 EGABHN O=C(CC1=CCCCC1)NCc1ccccc1CN1CCC(O)CC1 ZINC000096449862 454355638 /nfs/dbraw/zinc/35/56/38/454355638.db2.gz IJRCCPROFDAWKQ-UHFFFAOYSA-N 0 3 342.483 3.150 40 0 EGABHN CCCO[C@H]1CCCN([C@H](C)C(=O)NCCc2cccs2)CC1 ZINC000110595274 454848570 /nfs/dbraw/zinc/84/85/70/454848570.db2.gz FBPLIBPHGBXQDU-CVEARBPZSA-N 0 3 338.517 3.076 40 0 EGABHN Cn1ccnc1[C@@H](NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC1 ZINC000127633763 454983482 /nfs/dbraw/zinc/98/34/82/454983482.db2.gz DYVQBLGENUZNRC-ACJLOTCBSA-N 0 3 346.425 3.266 40 0 EGABHN FC(F)(F)c1ccn([C@H]2CCCN(CCO[C@H]3CCCCO3)C2)n1 ZINC000248751859 455729484 /nfs/dbraw/zinc/72/94/84/455729484.db2.gz HCGTXHGQAXPDMT-ZFWWWQNUSA-N 0 3 347.381 3.082 40 0 EGABHN CCCN1CCC[C@H]1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000195529737 455980273 /nfs/dbraw/zinc/98/02/73/455980273.db2.gz QIXKIQCDYRSKHS-WBVHZDCISA-N 0 3 341.455 3.408 40 0 EGABHN Cc1ccc2[nH]c([C@@H]3CCCN(C[C@@H](O)COC(C)(C)C)C3)nc2c1 ZINC000195549540 455983298 /nfs/dbraw/zinc/98/32/98/455983298.db2.gz XKOYWPCBIOFVOA-HZPDHXFCSA-N 0 3 345.487 3.227 40 0 EGABHN Cc1ccc2nc([C@@H]3CCCN(C[C@@H](O)COC(C)(C)C)C3)[nH]c2c1 ZINC000195549540 455983306 /nfs/dbraw/zinc/98/33/06/455983306.db2.gz XKOYWPCBIOFVOA-HZPDHXFCSA-N 0 3 345.487 3.227 40 0 EGABHN c1csc(CN2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)n1 ZINC000306137918 456568266 /nfs/dbraw/zinc/56/82/66/456568266.db2.gz RKCBXZLMELHCHT-HOTGVXAUSA-N 0 3 336.464 3.311 40 0 EGABHN CN(C)C/C=C/C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)CCO2 ZINC000585289314 459833443 /nfs/dbraw/zinc/83/34/43/459833443.db2.gz HXXYYJJHQYFAHC-AIADIJKESA-N 0 3 342.483 3.060 40 0 EGABHN CC(C)(C)c1ccc(C(=O)NCC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000575605696 459979860 /nfs/dbraw/zinc/97/98/60/459979860.db2.gz GWPKUXHGKKXKFF-IBGZPJMESA-N 0 3 344.499 3.215 40 0 EGABHN CN(C)Cc1cccc(-c2cccnc2C(=O)NCc2cccnc2)c1 ZINC000257239862 536022243 /nfs/dbraw/zinc/02/22/43/536022243.db2.gz HRCMPITWNOQUEH-UHFFFAOYSA-N 0 3 346.434 3.135 40 0 EGABHN C[C@H](NC[C@]1(O)CCCc2ccccc21)c1ccc([S@](C)=O)cc1 ZINC000096477378 546690345 /nfs/dbraw/zinc/69/03/45/546690345.db2.gz BJURMEUUUOGMOP-PFTWBPNJSA-N 0 3 343.492 3.299 40 0 EGABHN O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccccc1 ZINC000012293292 201835286 /nfs/dbraw/zinc/83/52/86/201835286.db2.gz LCAKEVQNPLJYRL-MOPGFXCFSA-N 0 3 339.435 3.071 40 0 EGABHN CN(C(=O)C1CCC1)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019586698 202012463 /nfs/dbraw/zinc/01/24/63/202012463.db2.gz ZRXWJHDDAZOKLL-UHFFFAOYSA-N 0 3 328.456 3.109 40 0 EGABHN Cc1ccccc1NC(=O)CN1CCCN(Cc2ccccc2)CC1 ZINC000023354614 202102799 /nfs/dbraw/zinc/10/27/99/202102799.db2.gz MBNBVRQBMOOEAC-UHFFFAOYSA-N 0 3 337.467 3.141 40 0 EGABHN C[C@@H]1C[C@H](OC[C@@H](O)CN(CCO)Cc2ccccc2)CC(C)(C)C1 ZINC000033526504 202266510 /nfs/dbraw/zinc/26/65/10/202266510.db2.gz FKQLTXLKHRPMII-HOJAQTOUSA-N 0 3 349.515 3.073 40 0 EGABHN O=C(Nc1ccc(CCN2CCC(O)CC2)cc1)c1cccc(F)c1 ZINC000075415388 202381346 /nfs/dbraw/zinc/38/13/46/202381346.db2.gz 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244381816 /nfs/dbraw/zinc/38/18/16/244381816.db2.gz NDZDVDHYEOZHDD-HNNXBMFYSA-N 0 3 325.412 3.070 40 0 EGABHN O=C(Nc1ccccc1)N1C[C@@H]2CN(CCCc3ccccc3)[C@@H]2C1 ZINC000107798605 204247934 /nfs/dbraw/zinc/24/79/34/204247934.db2.gz ODAWGHBAUACBMA-AZUAARDMSA-N 0 3 335.451 3.467 40 0 EGABHN CN1CCC[C@H](C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000126892648 205075964 /nfs/dbraw/zinc/07/59/64/205075964.db2.gz DZSDMGVDGMQLRC-VIFPVBQESA-N 0 3 331.641 3.383 40 0 EGABHN Fc1cccc(CN2CCC3(CCN(c4ncccn4)C3)CC2)c1 ZINC000096157584 274914370 /nfs/dbraw/zinc/91/43/70/274914370.db2.gz TXKDSGCMMOXAQF-UHFFFAOYSA-N 0 3 326.419 3.108 40 0 EGABHN CCO[C@@H]1CC2(CCN([C@@H]3CCOC3)CC2)c2cc(OC)ccc21 ZINC000096241877 276335964 /nfs/dbraw/zinc/33/59/64/276335964.db2.gz TZRYPHVNMHINEB-DNVCBOLYSA-N 0 3 331.456 3.299 40 0 EGABHN Cc1ccc(CN2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)s1 ZINC000096061400 280813746 /nfs/dbraw/zinc/81/37/46/280813746.db2.gz IJLMGTLRFTXBBK-QGZVFWFLSA-N 0 3 341.480 3.090 40 0 EGABHN C[C@@H]1CN(c2nccc(CN3CCC[C@@H]4CCCC[C@@H]43)n2)C[C@H](C)O1 ZINC000019497689 453656809 /nfs/dbraw/zinc/65/68/09/453656809.db2.gz JSRKLFWAMGIZPM-ZMMAXQRCSA-N 0 3 344.503 3.245 40 0 EGABHN COc1ccc(CN2CCCCC[C@@H]3[C@@H]2CCN3C(C)=O)c(OC)c1 ZINC000019712351 453658881 /nfs/dbraw/zinc/65/88/81/453658881.db2.gz UFLXIAMWHLEUMS-RBUKOAKNSA-N 0 3 346.471 3.069 40 0 EGABHN O=C(NCc1ccccc1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000025065157 453757453 /nfs/dbraw/zinc/75/74/53/453757453.db2.gz GNKFACHENFYISS-INIZCTEOSA-N 0 3 329.469 3.384 40 0 EGABHN CNc1snc(C)c1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000027602739 453819361 /nfs/dbraw/zinc/81/93/61/453819361.db2.gz XBHBLWMVXXAQKJ-HNNXBMFYSA-N 0 3 344.484 3.060 40 0 EGABHN CCC[C@H](NCC(=O)NC(=O)NCc1ccccc1)c1ccccc1 ZINC000057293238 454118389 /nfs/dbraw/zinc/11/83/89/454118389.db2.gz RSSJIMYIAVHXAR-SFHVURJKSA-N 0 3 339.439 3.143 40 0 EGABHN CCOc1ccc(-c2nc([C@H](N)c3ccccc3)n[nH]2)cc1OCC ZINC000095533492 454230404 /nfs/dbraw/zinc/23/04/04/454230404.db2.gz IYJMYWQKYQZPAT-QGZVFWFLSA-N 0 3 338.411 3.317 40 0 EGABHN CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccccc1 ZINC000058979987 454249305 /nfs/dbraw/zinc/24/93/05/454249305.db2.gz ZTZWBICGABZDQN-RTBURBONSA-N 0 3 337.419 3.181 40 0 EGABHN c1cc(CN2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)cs1 ZINC000096048242 454271050 /nfs/dbraw/zinc/27/10/50/454271050.db2.gz RYGMJMVSWIKWKK-MSOLQXFVSA-N 0 3 330.453 3.346 40 0 EGABHN CC(C)NC(=O)C[C@@H]1COC2(C1)CCN(Cc1ccsc1)CC2 ZINC000096048161 454271914 /nfs/dbraw/zinc/27/19/14/454271914.db2.gz UQXOIHZQJJYHQI-INIZCTEOSA-N 0 3 336.501 3.034 40 0 EGABHN O=C1[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2CN1Cc1cccc(F)c1 ZINC000096053714 454272402 /nfs/dbraw/zinc/27/24/02/454272402.db2.gz RETHYEIUGWYVFY-LPHOPBHVSA-N 0 3 342.389 3.055 40 0 EGABHN CN(Cc1ccco1)[C@@H]1CCC12CCN(C(=O)c1cccn1C)CC2 ZINC000096051583 454272994 /nfs/dbraw/zinc/27/29/94/454272994.db2.gz IDZPPPUTSFYHGV-GOSISDBHSA-N 0 3 341.455 3.135 40 0 EGABHN c1cc(CN2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)co1 ZINC000096065146 454278987 /nfs/dbraw/zinc/27/89/87/454278987.db2.gz QUVPMDXGNAYNCP-UXHICEINSA-N 0 3 342.439 3.263 40 0 EGABHN Cc1ccc(CN2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)o1 ZINC000096083130 454279487 /nfs/dbraw/zinc/27/94/87/454279487.db2.gz AJWAMYVIGCIZGV-VAMGGRTRSA-N 0 3 349.471 3.153 40 0 EGABHN COc1ccc2c(c1)C1(CCN(Cc3nccs3)CC1)N(C)CC2 ZINC000096100212 454282401 /nfs/dbraw/zinc/28/24/01/454282401.db2.gz FTWGWYRQZANHBP-UHFFFAOYSA-N 0 3 343.496 3.131 40 0 EGABHN c1cc(CN2CCC3(CO[C@@H](COCc4ccncc4)C3)CC2)co1 ZINC000096106165 454284528 /nfs/dbraw/zinc/28/45/28/454284528.db2.gz QHKCIZAXUGEUPS-LJQANCHMSA-N 0 3 342.439 3.263 40 0 EGABHN c1coc(CN2CCC3(CO[C@@H](COCC4CCOCC4)C3)CC2)c1 ZINC000096110783 454286876 /nfs/dbraw/zinc/28/68/76/454286876.db2.gz BWVMJGDRKQQLND-LJQANCHMSA-N 0 3 349.471 3.094 40 0 EGABHN c1csc(CN2CC[C@@H]3O[C@@H](COCc4cccnc4)CC[C@@H]32)c1 ZINC000096186126 454299363 /nfs/dbraw/zinc/29/93/63/454299363.db2.gz GDSUOLZXADNFFL-NEWSRXKRSA-N 0 3 344.480 3.482 40 0 EGABHN CC(C)N(C)Cc1cncc2c1CCN(C(=O)c1ccccc1F)C2 ZINC000096189469 454299490 /nfs/dbraw/zinc/29/94/90/454299490.db2.gz QFPDTLFPRUPELI-UHFFFAOYSA-N 0 3 341.430 3.259 40 0 EGABHN Cc1ccc(CN2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)o1 ZINC000096186163 454299612 /nfs/dbraw/zinc/29/96/12/454299612.db2.gz ILXGUZDRISPLOX-UFYCRDLUSA-N 0 3 342.439 3.322 40 0 EGABHN c1ccc(NC[C@H]2CCC[C@]3(CCN(Cc4cccnc4)C3)O2)nc1 ZINC000096215472 454305825 /nfs/dbraw/zinc/30/58/25/454305825.db2.gz RMSXJDRCQDYHCM-UYAOXDASSA-N 0 3 338.455 3.102 40 0 EGABHN Fc1cccnc1N[C@@H]1CO[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096219182 454306575 /nfs/dbraw/zinc/30/65/75/454306575.db2.gz GVKSBLLBBYSCGJ-SUMWQHHRSA-N 0 3 333.432 3.128 40 0 EGABHN Cc1noc(C[C@H]2CO[C@@H]3CN(Cc4cccc5ccccc54)C[C@H]23)n1 ZINC000096218987 454306610 /nfs/dbraw/zinc/30/66/10/454306610.db2.gz LQVNYKLTTYXHNL-DFQSSKMNSA-N 0 3 349.434 3.221 40 0 EGABHN CCc1ccc(CN2CC[C@]3(C2)CCCN(c2ncccn2)C3)o1 ZINC000096216843 454306880 /nfs/dbraw/zinc/30/68/80/454306880.db2.gz NWHMYTIXRGRALT-IBGZPJMESA-N 0 3 326.444 3.125 40 0 EGABHN Fc1cccnc1N[C@H]1CO[C@@]2(CCN(Cc3cccs3)C2)C1 ZINC000096219186 454307186 /nfs/dbraw/zinc/30/71/86/454307186.db2.gz GVKSBLLBBYSCGJ-DYVFJYSZSA-N 0 3 333.432 3.128 40 0 EGABHN NCc1sc(Br)c(Br)c1Br ZINC000096525475 454373352 /nfs/dbraw/zinc/37/33/52/454373352.db2.gz RRXWMMFZYQSRJD-UHFFFAOYSA-N 0 3 349.873 3.494 40 0 EGABHN COc1ccc(CN2CCC(N[C@H](C)c3c[nH]nc3C)CC2)cc1F ZINC000097233889 454428671 /nfs/dbraw/zinc/42/86/71/454428671.db2.gz BVGWHBBIOHXZOC-CYBMUJFWSA-N 0 3 346.450 3.181 40 0 EGABHN CC(C)N(C)c1cccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)c1 ZINC000102716284 454517721 /nfs/dbraw/zinc/51/77/21/454517721.db2.gz IVZFVJLCASNTHN-SFHVURJKSA-N 0 3 328.460 3.009 40 0 EGABHN Cc1cc(Cl)ccc1CN1CCC(c2ccnn2CCO)CC1 ZINC000136182217 454726187 /nfs/dbraw/zinc/72/61/87/454726187.db2.gz HXESFDIIKUFIHJ-UHFFFAOYSA-N 0 3 333.863 3.217 40 0 EGABHN C[C@H](NC[C@]1(O)CCSC1)c1ccc(Br)cc1F ZINC000127506497 454971497 /nfs/dbraw/zinc/97/14/97/454971497.db2.gz OWLNPRLSFIEJBZ-TVQRCGJNSA-N 0 3 334.254 3.107 40 0 EGABHN Cc1ccc2cc(CN[C@H]3CCN(C(=O)C4CCCC4)C3)ccc2n1 ZINC000189384816 455188585 /nfs/dbraw/zinc/18/85/85/455188585.db2.gz JDLMOPXWCCUWLP-IBGZPJMESA-N 0 3 337.467 3.424 40 0 EGABHN O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@@H]1CCCCN1 ZINC000237766584 455216258 /nfs/dbraw/zinc/21/62/58/455216258.db2.gz ITSPHTNPNHBJRH-ZDUSSCGKSA-N 0 3 348.340 3.184 40 0 EGABHN CN(Cc1ccco1)[C@@H]1CCC[C@@H]2CN(C(=O)c3ccccn3)C[C@H]21 ZINC000248140304 455687285 /nfs/dbraw/zinc/68/72/85/455687285.db2.gz TVANRJKGPVDAOX-SZVBFZGTSA-N 0 3 339.439 3.047 40 0 EGABHN CO[C@@H](CN1CCC[C@H](CNC(=O)C(C)(C)C)C1)c1ccccc1 ZINC000252488333 455810354 /nfs/dbraw/zinc/81/03/54/455810354.db2.gz IPIYFOPSGGSSEO-AEFFLSMTSA-N 0 3 332.488 3.248 40 0 EGABHN Cn1cc(CN2CCC3(CO[C@@H](Cc4cccc(F)c4)C3)CC2)cn1 ZINC000257306817 455887548 /nfs/dbraw/zinc/88/75/48/455887548.db2.gz SWCBAVKHKYZHLA-IBGZPJMESA-N 0 3 343.446 3.173 40 0 EGABHN C[C@H](Oc1cccc(Cl)c1)C(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000261703554 455930898 /nfs/dbraw/zinc/93/08/98/455930898.db2.gz KHJODUOPQTVFKD-WFASDCNBSA-N 0 3 330.815 3.024 40 0 EGABHN COC(=O)C[C@@H](C)c1ccc(NC(=O)C2CCN(C3CC3)CC2)cc1 ZINC000225606162 456097357 /nfs/dbraw/zinc/09/73/57/456097357.db2.gz FEPJOVHBWXYLGD-CQSZACIVSA-N 0 3 344.455 3.166 40 0 EGABHN C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](F)[C@]2(CCN(Cc3ccsc3)C2)C1 ZINC000306144664 456569477 /nfs/dbraw/zinc/56/94/77/456569477.db2.gz ZLKROWIWYVFQCQ-VUNQQRPYSA-N 0 3 336.476 3.167 40 0 EGABHN c1cc2n(c1)C[C@H](CCOCC1CC1)CN(CC1CCOCC1)C2 ZINC000585095534 459823149 /nfs/dbraw/zinc/82/31/49/459823149.db2.gz VPBZPYMYLNERPP-LJQANCHMSA-N 0 3 332.488 3.163 40 0 EGABHN CCc1nc(C)c(CN2CC[C@@H](OC)[C@H](Cc3cccc(F)c3)C2)[nH]1 ZINC000585277823 459832685 /nfs/dbraw/zinc/83/26/85/459832685.db2.gz PTRKSKMJABOEPV-VQIMIIECSA-N 0 3 345.462 3.499 40 0 EGABHN CC(C)N1CCC[C@H]1c1cccc(N2CC3(CCOCC3)OC2=O)n1 ZINC000257212579 535179938 /nfs/dbraw/zinc/17/99/38/535179938.db2.gz CEARBWSZRHKRRK-INIZCTEOSA-N 0 3 345.443 3.133 40 0 EGABHN CN(C)Cc1cccc(-c2cccnc2C(=O)NCc2ccco2)c1 ZINC000257245983 536022693 /nfs/dbraw/zinc/02/26/93/536022693.db2.gz IRYRFHMLFFIBGV-UHFFFAOYSA-N 0 3 335.407 3.333 40 0 EGABHN Clc1cccc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)c1 ZINC000019293426 202003157 /nfs/dbraw/zinc/00/31/57/202003157.db2.gz JQOZLUHFJJHFAF-KRWDZBQOSA-N 0 3 328.847 3.113 40 0 EGABHN COc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)cc1 ZINC000019554871 202011818 /nfs/dbraw/zinc/01/18/18/202011818.db2.gz REFBQVKHUCRKJG-PMSBKCLSSA-N 0 3 338.451 3.210 40 0 EGABHN Cc1nc2cc(C)ccn2c1CN1CCC[C@H](Cn2ccnc2C)C1 ZINC000019659015 202015612 /nfs/dbraw/zinc/01/56/12/202015612.db2.gz UYJOLYAYVHWBQF-SFHVURJKSA-N 0 3 337.471 3.368 40 0 EGABHN Cc1ccc(CN2CCCN(C(=O)c3ccc[nH]c3=S)CC2)cc1 ZINC000031225358 202203669 /nfs/dbraw/zinc/20/36/69/202203669.db2.gz MQCYKVJDMYQLNX-UHFFFAOYSA-N 0 3 341.480 3.027 40 0 EGABHN Cc1ccc(CC(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)cn1 ZINC000068385902 202206138 /nfs/dbraw/zinc/20/61/38/202206138.db2.gz VWJHFQLSKMZKJM-INIZCTEOSA-N 0 3 325.456 3.178 40 0 EGABHN COc1ccc(-c2n[nH]cc2CNCc2cccc(N(C)C)c2)cc1 ZINC000078552664 202395883 /nfs/dbraw/zinc/39/58/83/202395883.db2.gz COLZQZHRVKOLJY-UHFFFAOYSA-N 0 3 336.439 3.441 40 0 EGABHN O=C(CCc1ccccc1)NCC1CCN(Cc2ccco2)CC1 ZINC000023128019 212351855 /nfs/dbraw/zinc/35/18/55/212351855.db2.gz PTSJQRUXPIVGBQ-UHFFFAOYSA-N 0 3 326.440 3.241 40 0 EGABHN CCOc1ccc(Br)cc1CNCCN(CC)CC ZINC000022075953 212277230 /nfs/dbraw/zinc/27/72/30/212277230.db2.gz SBJJAEOVMJQFPX-UHFFFAOYSA-N 0 3 329.282 3.279 40 0 EGABHN Cc1ccnc(NC(=S)NCCCN2CCc3ccccc3C2)c1 ZINC000225744364 242015393 /nfs/dbraw/zinc/01/53/93/242015393.db2.gz ZJJFCGMNJAOBEC-UHFFFAOYSA-N 0 3 340.496 3.125 40 0 EGABHN C[C@@H]1CCCCN1C(=O)CN1CCC(Cc2cccc(F)c2)CC1 ZINC000071953267 203154551 /nfs/dbraw/zinc/15/45/51/203154551.db2.gz RZFWELMXYDSSNH-MRXNPFEDSA-N 0 3 332.463 3.481 40 0 EGABHN Cc1ncsc1CN1CCC(c2cc(C)n3nccc3n2)CC1 ZINC000257237373 244232599 /nfs/dbraw/zinc/23/25/99/244232599.db2.gz HGEKXDYOUSUAFM-UHFFFAOYSA-N 0 3 327.457 3.182 40 0 EGABHN Cc1nc(Nc2ccccn2)cc([C@@H]2CCCN2C2CCOCC2)n1 ZINC000072360359 203205573 /nfs/dbraw/zinc/20/55/73/203205573.db2.gz WSDNBXYQZPNLIX-KRWDZBQOSA-N 0 3 339.443 3.240 40 0 EGABHN Cc1nc([C@H]2CCCN2)nc2c1CCCN2Cc1ccc(F)cc1 ZINC000257247009 244260519 /nfs/dbraw/zinc/26/05/19/244260519.db2.gz IWYFHYNAALKZEI-QGZVFWFLSA-N 0 3 326.419 3.301 40 0 EGABHN CC(=O)NCc1cc([C@H]2CCCN2Cc2ccc(C)s2)ccn1 ZINC000257268389 244368049 /nfs/dbraw/zinc/36/80/49/244368049.db2.gz MLLYUNGGVTVMKP-GOSISDBHSA-N 0 3 329.469 3.425 40 0 EGABHN CC(C)(C)OC(=O)N(Cc1ncn2c1CNCCC2)C1CCCC1 ZINC000101736245 204021719 /nfs/dbraw/zinc/02/17/19/204021719.db2.gz NDYHISWTIJSWDX-UHFFFAOYSA-N 0 3 334.464 3.056 40 0 EGABHN Cc1cccc(CN2CCC[C@]3(C[C@@H](Nc4cccnc4)CO3)C2)n1 ZINC000107228382 204228021 /nfs/dbraw/zinc/22/80/21/204228021.db2.gz IPUZESSZBBOFLB-UXHICEINSA-N 0 3 338.455 3.021 40 0 EGABHN O=C(N[C@@H](c1ccco1)c1ccccc1)NC1CCN(C2CC2)CC1 ZINC000045153473 204315084 /nfs/dbraw/zinc/31/50/84/204315084.db2.gz SGVAACHYVQICOE-LJQANCHMSA-N 0 3 339.439 3.295 40 0 EGABHN Cc1ccc(O[C@H](C)C(=O)N[C@@H](CN(C)C)c2ccccc2)cc1 ZINC000048325627 204346295 /nfs/dbraw/zinc/34/62/95/204346295.db2.gz SQEVYQSXVMMQGW-APWZRJJASA-N 0 3 326.440 3.181 40 0 EGABHN O=C(Nc1ccc(F)c(-n2cccc2)c1)N1CC[C@H](N2CC=CC2)C1 ZINC000102716201 206412525 /nfs/dbraw/zinc/41/25/25/206412525.db2.gz HTSPLLAWPXGGSY-INIZCTEOSA-N 0 3 340.402 3.094 40 0 EGABHN Cc1ccc(CNc2cc(C(N)=O)ccc2CN(C)C)cc1Cl ZINC000195447834 266182816 /nfs/dbraw/zinc/18/28/16/266182816.db2.gz QRHJWMJXMMANPQ-UHFFFAOYSA-N 0 3 331.847 3.421 40 0 EGABHN COc1ccccc1CN1CCC2(C[C@H](OCC3CC3)CO2)CC1 ZINC000096209857 274157085 /nfs/dbraw/zinc/15/70/85/274157085.db2.gz KZHBXBIEOYKYHQ-SFHVURJKSA-N 0 3 331.456 3.245 40 0 EGABHN O[C@]1(CN[C@@H]2CCc3c2c(Br)ccc3F)CCSC1 ZINC000089704427 275060386 /nfs/dbraw/zinc/06/03/86/275060386.db2.gz CSYUPDLWSIWQFL-OCCSQVGLSA-N 0 3 346.265 3.033 40 0 EGABHN CC1(C)CCCN1CCOC(=O)[C@](O)(c1ccccc1)C1CCCC1 ZINC000001648478 278219966 /nfs/dbraw/zinc/21/99/66/278219966.db2.gz OZMLXLPGCQFBKZ-NRFANRHFSA-N 0 3 345.483 3.482 40 0 EGABHN CN(C(=O)Cc1nc(-c2ccc(F)cc2)cs1)[C@@H]1CCCN(C)C1 ZINC000097097375 323214699 /nfs/dbraw/zinc/21/46/99/323214699.db2.gz NLSULLGZQMZDIC-OAHLLOKOSA-N 0 3 347.459 3.044 40 0 EGABHN CCOc1ccc(N2C(=O)C[C@@H](N[C@@H]3CCC[C@H](C)[C@@H]3C)C2=O)cc1 ZINC000004648932 452809853 /nfs/dbraw/zinc/80/98/53/452809853.db2.gz UYNYFZVAQXLIGE-LBTBCDHLSA-N 0 3 344.455 3.132 40 0 EGABHN O[C@H](CN1CCC(O)(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000012292416 453353029 /nfs/dbraw/zinc/35/30/29/453353029.db2.gz PUWDTYNUXRVIEL-GOSISDBHSA-N 0 3 349.833 3.496 40 0 EGABHN CC(C)(C)C(=O)N1CCCc2cc([C@H](O)CN3CCCC3)ccc21 ZINC000012291602 453354359 /nfs/dbraw/zinc/35/43/59/453354359.db2.gz SNCOFFGAPUFHET-GOSISDBHSA-N 0 3 330.472 3.141 40 0 EGABHN COc1ccccc1CN1CCC(c2nn(C)c3ncccc23)CC1 ZINC000012670240 453391164 /nfs/dbraw/zinc/39/11/64/453391164.db2.gz UTDHDCQZAHCVLQ-UHFFFAOYSA-N 0 3 336.439 3.357 40 0 EGABHN Cn1cc([C@H](O)CN2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000019290386 453655309 /nfs/dbraw/zinc/65/53/09/453655309.db2.gz IYTQGOGZEJHAGQ-OAQYLSRUSA-N 0 3 335.451 3.034 40 0 EGABHN O=C(COc1ccc(-c2ccccc2)cc1)N1CCN2CCC[C@H]2C1 ZINC000028233486 453822710 /nfs/dbraw/zinc/82/27/10/453822710.db2.gz JXXOAVBUUJIRHP-IBGZPJMESA-N 0 3 336.435 3.039 40 0 EGABHN CCN(CC)[C@H](CNC(=O)c1ccc2c(c1)OCO2)c1ccsc1 ZINC000031987636 453860697 /nfs/dbraw/zinc/86/06/97/453860697.db2.gz LXJCIUMXLHRCJA-OAHLLOKOSA-N 0 3 346.452 3.290 40 0 EGABHN Cc1nnc([C@@H](C)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)o1 ZINC000190796653 455384151 /nfs/dbraw/zinc/38/41/51/455384151.db2.gz UQXBQEGIPNKHGY-OAHLLOKOSA-N 0 3 343.475 3.390 40 0 EGABHN CN(C)c1ccc(-c2noc([C@@H]3CCCN3CC(C)(C)C)n2)cn1 ZINC000035426268 453924065 /nfs/dbraw/zinc/92/40/65/453924065.db2.gz XERUHOXLOUNDRH-AWEZNQCLSA-N 0 3 329.448 3.381 40 0 biogenic,in-vitro EGABHN O=C(NCCc1ccccc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038832952 453942038 /nfs/dbraw/zinc/94/20/38/453942038.db2.gz MNWQSRWGKHYJHJ-IBGZPJMESA-N 0 3 340.442 3.397 40 0 EGABHN Cc1ncccc1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000095453521 454214646 /nfs/dbraw/zinc/21/46/46/454214646.db2.gz ZBQDCTBHYSBKEZ-UHFFFAOYSA-N 0 3 338.455 3.173 40 0 EGABHN Cc1ccsc1CN1C[C@@H]2C[C@@H](c3nnc(C4CC4)o3)O[C@@H]2C1 ZINC000096045831 454267713 /nfs/dbraw/zinc/26/77/13/454267713.db2.gz MHEXONKGNOHZNO-MELADBBJSA-N 0 3 331.441 3.279 40 0 EGABHN Cc1ccc(CN2CC[C@@H]3O[C@@H](c4nnc(C5CC5)o4)C[C@H]3C2)o1 ZINC000096045980 454268447 /nfs/dbraw/zinc/26/84/47/454268447.db2.gz RGOIVBPUJIRGGQ-CWRNSKLLSA-N 0 3 329.400 3.201 40 0 EGABHN c1cc(CN2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)cs1 ZINC000096048240 454271572 /nfs/dbraw/zinc/27/15/72/454271572.db2.gz RYGMJMVSWIKWKK-QZTJIDSGSA-N 0 3 330.453 3.346 40 0 EGABHN Cc1ccc(N[C@@H]2CO[C@@]3(C2)CCCN(Cc2ccsc2)C3)nn1 ZINC000096048443 454271701 /nfs/dbraw/zinc/27/17/01/454271701.db2.gz XKXNPPZXEKWQKL-FUHWJXTLSA-N 0 3 344.484 3.082 40 0 EGABHN CN1C(=O)C[C@H](c2ccncc2)C12CCN(Cc1cccs1)CC2 ZINC000096199975 454303139 /nfs/dbraw/zinc/30/31/39/454303139.db2.gz IMGIYBXMGNBAEF-QGZVFWFLSA-N 0 3 341.480 3.124 40 0 EGABHN Cc1ccc(CN2CC[C@H]3OCC[C@@]3(CCNc3ccccn3)C2)o1 ZINC000096206110 454304682 /nfs/dbraw/zinc/30/46/82/454304682.db2.gz DQHABEKVKMDZCP-QUCCMNQESA-N 0 3 341.455 3.466 40 0 EGABHN Cc1ccc(CN2CCC[C@]3(C[C@@H](OCC4CCOCC4)CO3)C2)o1 ZINC000096208546 454305737 /nfs/dbraw/zinc/30/57/37/454305737.db2.gz KXEZBGISYPFPTD-UXHICEINSA-N 0 3 349.471 3.155 40 0 EGABHN O=C(c1cscn1)N1C[C@H]2CN(Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC000096245499 454311589 /nfs/dbraw/zinc/31/15/89/454311589.db2.gz CCKWABDQABBHND-OKILXGFUSA-N 0 3 347.871 3.001 40 0 EGABHN CN(C)[C@H](CNC(=O)Nc1cccs1)c1ccc2c(c1)CCO2 ZINC000090607305 454327674 /nfs/dbraw/zinc/32/76/74/454327674.db2.gz JCZNOUCREXWTED-CQSZACIVSA-N 0 3 331.441 3.107 40 0 EGABHN Cc1noc(C)c1CN1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000065286856 454549665 /nfs/dbraw/zinc/54/96/65/454549665.db2.gz VDOLYRAUYWEUNQ-MRXNPFEDSA-N 0 3 337.427 3.456 40 0 EGABHN OCc1ccc(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)o1 ZINC000093840962 454740150 /nfs/dbraw/zinc/74/01/50/454740150.db2.gz QUZJWTGOXNJOEX-CYBMUJFWSA-N 0 3 332.469 3.487 40 0 EGABHN C[C@@H](NCc1ccnc(N2CCO[C@@H](C)C2)c1)c1cccc(F)c1 ZINC000110688720 454851321 /nfs/dbraw/zinc/85/13/21/454851321.db2.gz WAWFYCZEFQWQGU-LSDHHAIUSA-N 0 3 329.419 3.297 40 0 EGABHN CO[C@@H](CN1CCC(C(=O)N[C@H](C)C(C)C)CC1)c1ccccc1 ZINC000252491257 455812460 /nfs/dbraw/zinc/81/24/60/455812460.db2.gz LJVKCLCTHLTMOT-APWZRJJASA-N 0 3 332.488 3.247 40 0 EGABHN COC[C@H](C)CN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000187091060 455869699 /nfs/dbraw/zinc/86/96/99/455869699.db2.gz PFHMTVSESNIZMK-CQSZACIVSA-N 0 3 339.867 3.162 40 0 EGABHN CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)COc1cccc(F)c1 ZINC000257296529 455885238 /nfs/dbraw/zinc/88/52/38/455885238.db2.gz RDFCXJXGVMJYJG-ZNWBIBPKSA-N 0 3 346.446 3.068 40 0 EGABHN Cc1cnc(CN2CCC[C@@H](Cc3nccn4cccc34)CC2)cn1 ZINC000257305672 455888122 /nfs/dbraw/zinc/88/81/22/455888122.db2.gz SQZJDPATBCEQGN-QGZVFWFLSA-N 0 3 335.455 3.278 40 0 EGABHN Cc1cccc(CN2CCC[C@@H](Cc3cnc(-c4ncc[nH]4)cn3)C2)n1 ZINC000257311696 455889135 /nfs/dbraw/zinc/88/91/35/455889135.db2.gz UKQRHTJNYNXITD-INIZCTEOSA-N 0 3 348.454 3.025 40 0 EGABHN c1ccc(Nc2ncc3c(n2)[C@@]2(CCN(CC4CC4)C2)COC3)cc1 ZINC000306138328 456568021 /nfs/dbraw/zinc/56/80/21/456568021.db2.gz RUYRGWSEYQBUAL-HXUWFJFHSA-N 0 3 336.439 3.104 40 0 EGABHN CC(C)CCN1CC[C@@](C)(O)[C@@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 ZINC000514289790 458797893 /nfs/dbraw/zinc/79/78/93/458797893.db2.gz FQNWAVSCXZUJKW-IRFCIJBXSA-N 0 3 344.499 3.125 40 0 biogenic,in-vitro EGABHN c1nc([N-]c2cncc([C@H]3CCC[NH2+]C3)n2)sc1-c1ccccc1 ZINC000585263293 459832206 /nfs/dbraw/zinc/83/22/06/459832206.db2.gz VCIRNAJRRMXVPR-AWEZNQCLSA-N 0 3 337.452 3.233 40 0 EGABHN CCOCCOc1ccc(CN(C)C[C@H](O)c2ccccc2)cc1 ZINC000585269621 459832230 /nfs/dbraw/zinc/83/22/30/459832230.db2.gz CNBIIDWSNSSUHO-FQEVSTJZSA-N 0 3 329.440 3.267 40 0 EGABHN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CCN(C)CC1 ZINC000222943213 547245247 /nfs/dbraw/zinc/24/52/47/547245247.db2.gz XUFAHYYSOSUJGF-GOSISDBHSA-N 0 3 332.488 3.352 40 0 EGABHN Clc1cnc(C2CCN(Cc3ccc4c[nH]nc4c3)CC2)nc1 ZINC000585090371 564133973 /nfs/dbraw/zinc/13/39/73/564133973.db2.gz GPMCZYYEMIXJII-UHFFFAOYSA-N 0 3 327.819 3.386 40 0 EGABHN N[C@@H](CC1CCCCC1)C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000261548990 1296594640 /nfs/dbraw/zinc/59/46/40/1296594640.db2.gz KCAMYHCPOHIDDV-SFHVURJKSA-N 0 3 326.444 3.168 40 0 EGABHN CC[C@@H](CO)NCc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000008326333 201745374 /nfs/dbraw/zinc/74/53/74/201745374.db2.gz UCUXXHDULSHQRV-SFHVURJKSA-N 0 3 329.440 3.443 40 0 EGABHN COCc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000020903611 202058869 /nfs/dbraw/zinc/05/88/69/202058869.db2.gz NRESBLZKKLKCFM-UHFFFAOYSA-N 0 3 338.451 3.227 40 0 EGABHN O=C(Cc1cccs1)NCC1CCN(Cc2cccs2)CC1 ZINC000023016873 202096483 /nfs/dbraw/zinc/09/64/83/202096483.db2.gz XPPHFZLITWOROP-UHFFFAOYSA-N 0 3 334.510 3.381 40 0 EGABHN C[C@@H](CNC(=O)c1ccc(Br)cc1)N1CCC[C@H](C)C1 ZINC000040108048 202169513 /nfs/dbraw/zinc/16/95/13/202169513.db2.gz LLAZDTFCIPMRPW-STQMWFEESA-N 0 3 339.277 3.299 40 0 EGABHN C[C@@H]1C[C@@H](OC[C@@H](O)CN(CCO)Cc2ccccc2)CC(C)(C)C1 ZINC000033526502 202267237 /nfs/dbraw/zinc/26/72/37/202267237.db2.gz FKQLTXLKHRPMII-YZGWKJHDSA-N 0 3 349.515 3.073 40 0 EGABHN CN(C)CC[C@@](O)(c1ccc(Br)cc1)c1cccnc1 ZINC000035636649 202308707 /nfs/dbraw/zinc/30/87/07/202308707.db2.gz YAYXSVOPNBARLP-MRXNPFEDSA-N 0 3 335.245 3.032 40 0 in-vitro EGABHN Cn1cc(CNCc2cccc(OC(F)F)c2)c(-c2ccncc2)n1 ZINC000078553453 202396644 /nfs/dbraw/zinc/39/66/44/202396644.db2.gz JVOJRZJHPNSDGB-UHFFFAOYSA-N 0 3 344.365 3.373 40 0 EGABHN Cc1ncsc1-c1nc(-c2ccccc2OCCN(C)C)no1 ZINC000273820613 201263857 /nfs/dbraw/zinc/26/38/57/201263857.db2.gz JANWXYFNULKILW-UHFFFAOYSA-N 0 3 330.413 3.109 40 0 EGABHN CCOc1ccc(N2C(=O)C[C@H](N[C@@H]3CCC[C@@H](C)[C@@H]3C)C2=O)cc1 ZINC000229897556 242212450 /nfs/dbraw/zinc/21/24/50/242212450.db2.gz UYNYFZVAQXLIGE-NONVJHHQSA-N 0 3 344.455 3.132 40 0 EGABHN COc1ccc2c(c1)OC[C@@H](N[C@@H](C)c1cccc(NC(C)=O)c1)C2 ZINC000090964710 203073182 /nfs/dbraw/zinc/07/31/82/203073182.db2.gz HXGJAMMDBMOKFQ-UGSOOPFHSA-N 0 3 340.423 3.308 40 0 EGABHN C[C@@H](CCN[C@H]1CCc2c1cccc2Br)[S@](C)=O ZINC000091398855 203074877 /nfs/dbraw/zinc/07/48/77/203074877.db2.gz LACQNTZIRDSNLO-MWJQBAMBSA-N 0 3 330.291 3.183 40 0 EGABHN Cc1ccc(NC(=O)CCc2cc(C)nc([C@@H]3CCCN3C)c2)nc1 ZINC000072366963 203207626 /nfs/dbraw/zinc/20/76/26/203207626.db2.gz FERHRFVVGXQOCE-SFHVURJKSA-N 0 3 338.455 3.431 40 0 EGABHN c1ccc(CO[C@H]2COC3(C2)CCN(Cc2ccncc2)CC3)cc1 ZINC000096047864 203806910 /nfs/dbraw/zinc/80/69/10/203806910.db2.gz WCNCXCIGHKHGDJ-HXUWFJFHSA-N 0 3 338.451 3.422 40 0 EGABHN C[C@@H]1CCCCN1CCNC(=O)c1ccccc1Br ZINC000046860127 204336721 /nfs/dbraw/zinc/33/67/21/204336721.db2.gz BWJBHJFQIAKTLM-GFCCVEGCSA-N 0 3 325.250 3.053 40 0 EGABHN Fc1ccc(CN2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1F ZINC000049169659 204369960 /nfs/dbraw/zinc/36/99/60/204369960.db2.gz CLAZCMLDPWDIOM-AWEZNQCLSA-N 0 3 342.349 3.399 40 0 biogenic,in-vitro EGABHN CCN1CCC(NC(=O)/C=C/c2ccc3cc(OC)ccc3c2)CC1 ZINC000007964254 205839361 /nfs/dbraw/zinc/83/93/61/205839361.db2.gz ICBWUKLVZOFBOF-WEVVVXLNSA-N 0 3 338.451 3.462 40 0 EGABHN CCc1onc(C)c1NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000119282794 221284831 /nfs/dbraw/zinc/28/48/31/221284831.db2.gz YUHVTNHFIVRUPX-BBRMVZONSA-N 0 3 342.443 3.187 40 0 EGABHN CCN1C(=O)[C@]2(CC[C@@H]3CN(Cc4ccc(Cl)cc4)C[C@@H]32)N=C1C ZINC000096261444 276148282 /nfs/dbraw/zinc/14/82/82/276148282.db2.gz CWSDQKYMKNUMHY-HHXXYDBFSA-N 0 3 345.874 3.201 40 0 EGABHN CN1CCC[C@H](CNC(=O)Nc2nccs2)[C@@H]1c1cccs1 ZINC000096433655 277073795 /nfs/dbraw/zinc/07/37/95/277073795.db2.gz AKUGBXNTCMXDRE-DGCLKSJQSA-N 0 3 336.486 3.409 40 0 EGABHN O=C(NC1CCN(C2CC2)CC1)N1CCc2cc(Cl)ccc2C1 ZINC000190725828 279825817 /nfs/dbraw/zinc/82/58/17/279825817.db2.gz VPFMKQSJFKLBKJ-UHFFFAOYSA-N 0 3 333.863 3.035 40 0 EGABHN COc1ccc([C@@H](CN(C)C)NCc2ccc(NC(C)=O)cc2)cc1 ZINC000241634648 455268805 /nfs/dbraw/zinc/26/88/05/455268805.db2.gz PNZXJAITYWQFHQ-HXUWFJFHSA-N 0 3 341.455 3.046 40 0 EGABHN COc1cccc(CNC(C)(C)CO)c1OCc1ccc(F)cc1 ZINC000006883179 453004102 /nfs/dbraw/zinc/00/41/02/453004102.db2.gz XOSUEPOUWBEXKW-UHFFFAOYSA-N 0 3 333.403 3.274 40 0 EGABHN CC[C@@H](CO)NCc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000008326336 453191852 /nfs/dbraw/zinc/19/18/52/453191852.db2.gz RWIFJXVKENNAHD-KRWDZBQOSA-N 0 3 333.403 3.274 40 0 EGABHN COc1cccc([C@@H]2CCCN2CCC(=O)Nc2cc(C)on2)c1 ZINC000009980193 453268890 /nfs/dbraw/zinc/26/88/90/453268890.db2.gz HOOAKZSKMXCEGQ-INIZCTEOSA-N 0 3 329.400 3.157 40 0 EGABHN Cc1nn2c(nc(C)c(C)c2NCCN(C)C)c1-c1ccc(F)cc1 ZINC000012113349 453345642 /nfs/dbraw/zinc/34/56/42/453345642.db2.gz CHKKGXLZRTXOEP-UHFFFAOYSA-N 0 3 341.434 3.434 40 0 EGABHN Cc1nc(-c2ccc(C)c(C)c2)c(CC(=O)N(C)CCN(C)C)s1 ZINC000012238218 453352531 /nfs/dbraw/zinc/35/25/31/453352531.db2.gz MSDRPIGLHRTPDT-UHFFFAOYSA-N 0 3 345.512 3.298 40 0 EGABHN Clc1ccc2c(c1)ncc(Br)c2N1CCNCC1 ZINC000019721430 453658955 /nfs/dbraw/zinc/65/89/55/453658955.db2.gz AQBYHSYPQIEKHI-UHFFFAOYSA-N 0 3 326.625 3.060 40 0 EGABHN O=C(N=c1[nH]c2ccccc2n1CCN1CCCCC1)C1CCCC1 ZINC000032610697 453879848 /nfs/dbraw/zinc/87/98/48/453879848.db2.gz KVXPPOSZGFHNTG-UHFFFAOYSA-N 0 3 340.471 3.073 40 0 EGABHN COc1ccc(C(=O)[C@@H]2SC(=N)N[C@H]2c2ccc(OC)cc2)cc1 ZINC000033665193 453916609 /nfs/dbraw/zinc/91/66/09/453916609.db2.gz LRNIPQIMNMMAAB-DOTOQJQBSA-N 0 3 342.420 3.058 40 0 EGABHN CC[C@H](NC(=O)N1CC[C@H](N2CCCC2)C1)c1cc(F)ccc1F ZINC000077873293 454164895 /nfs/dbraw/zinc/16/48/95/454164895.db2.gz XESIRCUUUJEKJY-YOEHRIQHSA-N 0 3 337.414 3.296 40 0 EGABHN COc1ccc([C@H](C)NCCC(=O)Nc2ccc(C)cn2)cc1F ZINC000095422400 454208287 /nfs/dbraw/zinc/20/82/87/454208287.db2.gz IZAMHXVHTVBOQL-ZDUSSCGKSA-N 0 3 331.391 3.217 40 0 EGABHN Cc1ccc(CC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cn1 ZINC000119680720 454213682 /nfs/dbraw/zinc/21/36/82/454213682.db2.gz PKUJKIBEIOCUHU-KRWDZBQOSA-N 0 3 343.496 3.022 40 0 EGABHN CCOc1ccc(-c2nc([C@H](N)c3ccc(F)cc3)n[nH]2)cc1OC ZINC000095533368 454229983 /nfs/dbraw/zinc/22/99/83/454229983.db2.gz RRVJXBIGIKKXFG-MRXNPFEDSA-N 0 3 342.374 3.066 40 0 EGABHN Cc1ccc(CN2CC[C@@H]3O[C@@H](COCC4CCOCC4)CC[C@@H]32)o1 ZINC000096038670 454265266 /nfs/dbraw/zinc/26/52/66/454265266.db2.gz AJWAMYVIGCIZGV-AABGKKOBSA-N 0 3 349.471 3.153 40 0 EGABHN c1cc(CN2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)co1 ZINC000096040089 454266978 /nfs/dbraw/zinc/26/69/78/454266978.db2.gz CNHUYGNMIJEEPX-WOJBJXKFSA-N 0 3 342.439 3.263 40 0 EGABHN c1cc(CN2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)co1 ZINC000096040090 454266995 /nfs/dbraw/zinc/26/69/95/454266995.db2.gz CNHUYGNMIJEEPX-PMACEKPBSA-N 0 3 342.439 3.263 40 0 EGABHN O=C1COC2(CCN(Cc3ccsc3)CC2)CN1c1ccccc1 ZINC000096049228 454271009 /nfs/dbraw/zinc/27/10/09/454271009.db2.gz LRHGTTPBMTUNTN-UHFFFAOYSA-N 0 3 342.464 3.146 40 0 EGABHN c1coc(CN2CCC3(CO[C@H](COc4cccnc4)C3)CC2)c1 ZINC000096106078 454283735 /nfs/dbraw/zinc/28/37/35/454283735.db2.gz PZRWLNNODAXTID-SFHVURJKSA-N 0 3 328.412 3.125 40 0 EGABHN COc1ccc(C[C@H]2CN(Cc3ccncc3)CC[C@@H]2OC)cc1 ZINC000096110551 454286753 /nfs/dbraw/zinc/28/67/53/454286753.db2.gz HNOUKBKHHYFUOK-ICSRJNTNSA-N 0 3 326.440 3.170 40 0 EGABHN Cc1ncc([C@H](C)NC[C@@H](c2ccccc2)N2CCOCC2)s1 ZINC000090401224 454300803 /nfs/dbraw/zinc/30/08/03/454300803.db2.gz SCDANNFCYZSZIO-YOEHRIQHSA-N 0 3 331.485 3.176 40 0 EGABHN COCCO[C@H]1CCN(Cc2c(C)noc2C)[C@H]1Cc1ccccc1 ZINC000096200409 454301980 /nfs/dbraw/zinc/30/19/80/454301980.db2.gz RQBUQQAKKIIQOF-PMACEKPBSA-N 0 3 344.455 3.140 40 0 EGABHN CN(Cc1cccnc1)C[C@@H]1CC12CCN(C(=O)c1ccco1)CC2 ZINC000096238324 454310276 /nfs/dbraw/zinc/31/02/76/454310276.db2.gz OLJWJFCYEDWVGG-KRWDZBQOSA-N 0 3 339.439 3.049 40 0 EGABHN Cc1ccc(CC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cn1 ZINC000096444854 454351802 /nfs/dbraw/zinc/35/18/02/454351802.db2.gz CQMYRDIJXVGLMJ-FQEVSTJZSA-N 0 3 337.467 3.056 40 0 EGABHN C[C@H](NC[C@]1(O)CCCc2ccccc21)c1ccc([S@@](C)=O)cc1 ZINC000096477385 454362974 /nfs/dbraw/zinc/36/29/74/454362974.db2.gz BJURMEUUUOGMOP-VNJOCVIMSA-N 0 3 343.492 3.299 40 0 EGABHN CC(=O)Nc1cccc([C@H](C)N[C@@H]2CCN(c3ncccc3F)C2)c1 ZINC000096479244 454364098 /nfs/dbraw/zinc/36/40/98/454364098.db2.gz ALAGLLHCBOENEU-SUMWQHHRSA-N 0 3 342.418 3.109 40 0 EGABHN COC(=O)Nc1ccc(NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000096494626 454370673 /nfs/dbraw/zinc/37/06/73/454370673.db2.gz CAZPDIWCTWVCJJ-UHFFFAOYSA-N 0 3 340.427 3.336 40 0 EGABHN Cc1ccccc1CN1CCC(NC(=O)N(C)[C@@H]2CCSC2)CC1 ZINC000122410127 454530798 /nfs/dbraw/zinc/53/07/98/454530798.db2.gz BEGCIEAURAUKHM-GOSISDBHSA-N 0 3 347.528 3.106 40 0 EGABHN CS[C@@H](C)CNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000153135265 454763581 /nfs/dbraw/zinc/76/35/81/454763581.db2.gz YSIVEKWAOAXFDR-HNNXBMFYSA-N 0 3 335.517 3.010 40 0 EGABHN CCc1nc(C)c([C@H](C)NCCC(=O)Nc2ccc(C)cn2)s1 ZINC000167093176 454918189 /nfs/dbraw/zinc/91/81/89/454918189.db2.gz UAFBQKAKCYKKMB-LBPRGKRZSA-N 0 3 332.473 3.397 40 0 EGABHN CCc1nc2c(s1)[C@@H](N[C@H]1CCN(c3ncccc3F)C1)CCC2 ZINC000168175494 454925930 /nfs/dbraw/zinc/92/59/30/454925930.db2.gz ZSFCETMPHHSSMS-JSGCOSHPSA-N 0 3 346.475 3.486 40 0 EGABHN CC1=CCCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000252496643 455814507 /nfs/dbraw/zinc/81/45/07/455814507.db2.gz PNRJRNHNCHBWIK-UHFFFAOYSA-N 0 3 343.471 3.021 40 0 EGABHN C[C@@H]1CC[C@@H]2[C@@H](C1)c1c([O-])c(C(=O)NCCC[NH3+])ccc1OC2(C)C ZINC000257292011 455884047 /nfs/dbraw/zinc/88/40/47/455884047.db2.gz QJPOZJLKIZGKPW-BPLDGKMQSA-N 0 3 346.471 3.162 40 0 EGABHN CC(=O)NCc1ccc([C@H]2CCCN2Cc2ccc(C)s2)nc1 ZINC000257316757 455890618 /nfs/dbraw/zinc/89/06/18/455890618.db2.gz VGVXCYPTJQPRPU-GOSISDBHSA-N 0 3 329.469 3.425 40 0 EGABHN COc1ncc(CN2CC[C@H](Cc3ccnc4ccccc34)C2)cn1 ZINC000257320950 455891083 /nfs/dbraw/zinc/89/10/83/455891083.db2.gz VZLJEBMJLJMQRX-OAHLLOKOSA-N 0 3 334.423 3.098 40 0 EGABHN Cn1cc(CN2CCC3(CO[C@H](Cc4ccccc4F)C3)CC2)cn1 ZINC000257327347 455892658 /nfs/dbraw/zinc/89/26/58/455892658.db2.gz XBAFGUCXRCJVTC-GOSISDBHSA-N 0 3 343.446 3.173 40 0 EGABHN Cc1ccc(Oc2ccccc2NC(=O)C[C@H]2CNCCO2)cc1 ZINC000195531121 455981145 /nfs/dbraw/zinc/98/11/45/455981145.db2.gz CYJQOQPVEUAFDV-INIZCTEOSA-N 0 3 326.396 3.104 40 0 EGABHN Fc1ccccc1COC1CCN(CCO[C@@H]2CCCCO2)CC1 ZINC000225531204 456090539 /nfs/dbraw/zinc/09/05/39/456090539.db2.gz MRPTWLNNNMBSHF-LJQANCHMSA-N 0 3 337.435 3.350 40 0 EGABHN c1coc(CN2CC[C@@]3(C2)CN(Cc2ccccn2)c2cccnc23)c1 ZINC000306142950 456566847 /nfs/dbraw/zinc/56/68/47/456566847.db2.gz XOYWGISKCBUTPV-OAQYLSRUSA-N 0 3 346.434 3.234 40 0 EGABHN c1cc(CN2CCC(c3nnc4ncc(C5CC5)cn43)CC2)cs1 ZINC000306140349 456567600 /nfs/dbraw/zinc/56/76/00/456567600.db2.gz UQYRNUAXRKTEID-UHFFFAOYSA-N 0 3 339.468 3.443 40 0 EGABHN Cc1cnccc1CCNCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000585141140 459829836 /nfs/dbraw/zinc/82/98/36/459829836.db2.gz PXOULUCDHYBVAU-UHFFFAOYSA-N 0 3 338.377 3.274 40 0 EGABHN CN(C)CCNC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000225777922 535891459 /nfs/dbraw/zinc/89/14/59/535891459.db2.gz DLEHMPIZTNVZAJ-UHFFFAOYSA-N 0 3 332.831 3.210 40 0 EGABHN CC(C)C(=O)N(C)C1CCC2(CC1)CN(C)Cc1ccccc1O2 ZINC000019085073 201998498 /nfs/dbraw/zinc/99/84/98/201998498.db2.gz GOXMDOPLYGQDRT-UHFFFAOYSA-N 0 3 330.472 3.307 40 0 EGABHN CN1CCN(CC2CC2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019589488 202012402 /nfs/dbraw/zinc/01/24/02/202012402.db2.gz SGJNVLLRZRUWMK-NRFANRHFSA-N 0 3 349.478 3.091 40 0 EGABHN CN(C(=O)C1CCCC1)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019586704 202013089 /nfs/dbraw/zinc/01/30/89/202013089.db2.gz RRCRYIBWPFWQOM-UHFFFAOYSA-N 0 3 342.483 3.499 40 0 EGABHN CCOc1cccc(CNCCN(C)C)c1OCc1ccccc1 ZINC000022076899 202079026 /nfs/dbraw/zinc/07/90/26/202079026.db2.gz VENBUYGYYJHROO-UHFFFAOYSA-N 0 3 328.456 3.316 40 0 EGABHN CC(C)(C)OC(=O)N1CCC[C@@H]1CNCc1cnc(Cl)s1 ZINC000072203461 216069599 /nfs/dbraw/zinc/06/95/99/216069599.db2.gz SOTQCRMTIIAQOH-SNVBAGLBSA-N 0 3 331.869 3.286 40 0 EGABHN CC(=O)Nc1cccc(CN2CCC(Nc3cccc(C)n3)CC2)c1 ZINC000077316491 202391669 /nfs/dbraw/zinc/39/16/69/202391669.db2.gz BPYHOHSGMUKWPS-UHFFFAOYSA-N 0 3 338.455 3.425 40 0 EGABHN Cc1cc(C)c2cc(CNCc3ccc(F)cc3)c3nnnn3c2c1 ZINC000013998139 201057598 /nfs/dbraw/zinc/05/75/98/201057598.db2.gz FCIBFRZKJFXYLL-UHFFFAOYSA-N 0 3 335.386 3.323 40 0 EGABHN Cc1ccc(CN(CCN(C)C)Cc2ccnn2[C@H]2CCCCO2)o1 ZINC000023247810 212363131 /nfs/dbraw/zinc/36/31/31/212363131.db2.gz AGRVNFRQPIUPCS-LJQANCHMSA-N 0 3 346.475 3.047 40 0 EGABHN CN(C)C1(CN[C@H](c2ccccc2)c2ccc(F)cn2)CCOCC1 ZINC000195560656 241010878 /nfs/dbraw/zinc/01/08/78/241010878.db2.gz MNERHGJXGBLMGJ-LJQANCHMSA-N 0 3 343.446 3.011 40 0 EGABHN CNc1cc(C)nc([C@@H]2CN(C(=O)CCc3cccs3)CCO2)c1 ZINC000257211155 244149190 /nfs/dbraw/zinc/14/91/90/244149190.db2.gz BXSBEUXSEYHCHH-KRWDZBQOSA-N 0 3 345.468 3.026 40 0 EGABHN Cc1nccn1-c1cccc([C@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000072379054 203211175 /nfs/dbraw/zinc/21/11/75/203211175.db2.gz YSFTUYYNDGVBFN-KRWDZBQOSA-N 0 3 333.439 3.350 40 0 EGABHN Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)Cc3cccs3)C2)n1 ZINC000257254116 244275081 /nfs/dbraw/zinc/27/50/81/244275081.db2.gz KBRRUBYOFNQKAT-AWEZNQCLSA-N 0 3 329.469 3.076 40 0 EGABHN O=C(C1CCC1)N1CCC2(CCCN(Cc3ccccn3)C2)CC1 ZINC000096158502 203846265 /nfs/dbraw/zinc/84/62/65/203846265.db2.gz KISIKEVODCMKBC-UHFFFAOYSA-N 0 3 327.472 3.086 40 0 EGABHN C[C@H]1CCCCN1CCNC(=O)c1cccc(Br)c1 ZINC000046858932 204336150 /nfs/dbraw/zinc/33/61/50/204336150.db2.gz OUPARDCYGUDRBB-LBPRGKRZSA-N 0 3 325.250 3.053 40 0 EGABHN Cc1cc(NC(=O)CCN(Cc2cccs2)C[C@@H]2CCCO2)no1 ZINC000012979620 207268601 /nfs/dbraw/zinc/26/86/01/207268601.db2.gz FCIWUADNCNEPHS-AWEZNQCLSA-N 0 3 349.456 3.054 40 0 EGABHN c1coc(CN2CCC3(CO[C@@H](COc4ccccn4)C3)CC2)c1 ZINC000096106195 285562998 /nfs/dbraw/zinc/56/29/98/285562998.db2.gz MLASOODXRSGNML-QGZVFWFLSA-N 0 3 328.412 3.125 40 0 EGABHN CC(C)[C@H](c1nnnn1C(C)(C)C)N1CCN(C2CCCCC2)CC1 ZINC000019445939 277929079 /nfs/dbraw/zinc/92/90/79/277929079.db2.gz OREKLYJBCGAAFA-QGZVFWFLSA-N 0 3 348.539 3.076 40 0 EGABHN CCN(C(=O)Nc1ccncc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000097096233 323214589 /nfs/dbraw/zinc/21/45/89/323214589.db2.gz GBCWCJGPWLSZRV-INIZCTEOSA-N 0 3 342.418 3.349 40 0 EGABHN C[C@H](NC[C@]1(CCO)CCOC1)c1ccc(Br)cc1F ZINC000127752005 323218772 /nfs/dbraw/zinc/21/87/72/323218772.db2.gz JNKJSUISNNGKRS-NHYWBVRUSA-N 0 3 346.240 3.028 40 0 EGABHN CCn1nccc1CCN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000240902799 455265541 /nfs/dbraw/zinc/26/55/41/455265541.db2.gz IVMBBUHONVNSDX-QGZVFWFLSA-N 0 3 327.428 3.054 40 0 EGABHN N=C1c2ccccc2CN1CC(=O)c1ccc(Br)cc1 ZINC000004031997 452789833 /nfs/dbraw/zinc/78/98/33/452789833.db2.gz SMBBZYXZSDKOHV-UHFFFAOYSA-N 0 3 329.197 3.473 40 0 EGABHN CCOc1ccc(CN2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1 ZINC000005959323 452914392 /nfs/dbraw/zinc/91/43/92/452914392.db2.gz DFTJGGTUHBQNFE-GOSISDBHSA-N 0 3 330.472 3.310 40 0 EGABHN CCOC(=O)c1ccc(-c2ccc(CNC[C@@H]3CCCO3)o2)cc1 ZINC000007519894 453084219 /nfs/dbraw/zinc/08/42/19/453084219.db2.gz FXVRPWZFCCRQON-INIZCTEOSA-N 0 3 329.396 3.392 40 0 EGABHN C=Cn1cc(CN2CCC[C@](O)(c3ccc(F)cc3)CC2)c(C)n1 ZINC000012188831 453349464 /nfs/dbraw/zinc/34/94/64/453349464.db2.gz PTZNOQQLVRKPJB-LJQANCHMSA-N 0 3 329.419 3.305 40 0 EGABHN CCOC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCNC1 ZINC000012275180 453352973 /nfs/dbraw/zinc/35/29/73/453352973.db2.gz QJQYBKPACUHJHB-LJQANCHMSA-N 0 3 328.412 3.125 40 0 EGABHN CC[C@H](CNC(=O)Cc1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000032445868 453873074 /nfs/dbraw/zinc/87/30/74/453873074.db2.gz ANUHXJLZDBSALA-HXUWFJFHSA-N 0 3 340.442 3.321 40 0 EGABHN COc1ccccc1CNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000058155749 454165926 /nfs/dbraw/zinc/16/59/26/454165926.db2.gz BNRBLPNSIDUPGS-UHFFFAOYSA-N 0 3 347.503 3.349 40 0 EGABHN Cc1noc(C)c1CN1CC[C@@H]2OCCC[C@]2(COCC2CCC2)C1 ZINC000096040287 454266266 /nfs/dbraw/zinc/26/62/66/454266266.db2.gz DGJMIOUXNXTKSN-VQTJNVASSA-N 0 3 348.487 3.479 40 0 EGABHN O=C(Nc1ccccc1)[C@@H]1CN(Cc2ccco2)CC12CCOCC2 ZINC000096052243 454273237 /nfs/dbraw/zinc/27/32/37/454273237.db2.gz KCHAVAARKDKCRY-SFHVURJKSA-N 0 3 340.423 3.147 40 0 EGABHN c1csc(CN2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC000096058091 454275409 /nfs/dbraw/zinc/27/54/09/454275409.db2.gz WNUOHAYHAFIECO-KSZLIROESA-N 0 3 330.453 3.092 40 0 EGABHN Cc1ccc(CN2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@@H]32)s1 ZINC000096058097 454275929 /nfs/dbraw/zinc/27/59/29/454275929.db2.gz IPECHFSGXRXHTR-OTWHNJEPSA-N 0 3 344.480 3.400 40 0 EGABHN CCN1CCC2(CC1)C[C@@H](Nc1ncc(F)cn1)c1ccccc1O2 ZINC000096079757 454280611 /nfs/dbraw/zinc/28/06/11/454280611.db2.gz KPZWLZJWJNNXKR-MRXNPFEDSA-N 0 3 342.418 3.406 40 0 EGABHN COc1ccc(C[C@H]2CN(Cc3ccccn3)CC[C@H]2OC)cc1 ZINC000096110235 454285915 /nfs/dbraw/zinc/28/59/15/454285915.db2.gz PURDKRVCQXBQII-FXAWDEMLSA-N 0 3 326.440 3.170 40 0 EGABHN CCc1cnc(N2CC[C@]3(C2)CCCN(Cc2ccc(C)o2)C3)nc1 ZINC000096215892 454305869 /nfs/dbraw/zinc/30/58/69/454305869.db2.gz WZQOULXVFAQJCH-HXUWFJFHSA-N 0 3 340.471 3.433 40 0 EGABHN CN(Cc1cccnc1)C[C@H]1CC12CCN(Cc1nccs1)CC2 ZINC000096238319 454310664 /nfs/dbraw/zinc/31/06/64/454310664.db2.gz YFOJHPXRILZTBA-QGZVFWFLSA-N 0 3 342.512 3.272 40 0 EGABHN c1csc(CN2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3CC2)c1 ZINC000096249375 454311329 /nfs/dbraw/zinc/31/13/29/454311329.db2.gz GKRSPYBYFOQTEJ-OALUTQOASA-N 0 3 343.496 3.009 40 0 EGABHN CCN(CC)C[C@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O ZINC000096296023 454316785 /nfs/dbraw/zinc/31/67/85/454316785.db2.gz CYKYOUNLBOFGJR-CMKODMSKSA-N 0 3 344.455 3.134 40 0 biogenic,in-vitro EGABHN CC(=O)Nc1cccc(CN(C[C@H](O)c2ccc(F)cc2)C2CC2)c1 ZINC000096424430 454337516 /nfs/dbraw/zinc/33/75/16/454337516.db2.gz WQWYUZZIFDGETI-FQEVSTJZSA-N 0 3 342.414 3.482 40 0 EGABHN C[C@H]1CCN(C(=O)/C=C/c2cccnc2)CCN1Cc1ccccc1 ZINC000096433129 454343131 /nfs/dbraw/zinc/34/31/31/454343131.db2.gz GLTXECQLBMICCN-BBVFFXRHSA-N 0 3 335.451 3.218 40 0 EGABHN CN(C)CCN(Cc1cccs1)C(=O)[C@H]1CCOc2ccccc21 ZINC000096460365 454359366 /nfs/dbraw/zinc/35/93/66/454359366.db2.gz RETYTDZIQDJBET-KRWDZBQOSA-N 0 3 344.480 3.205 40 0 EGABHN C[C@H](NC1(CNC(=O)CC(C)(C)C)CCOCC1)c1ccccc1 ZINC000079096452 454367868 /nfs/dbraw/zinc/36/78/68/454367868.db2.gz OADMYSFTVLZRCC-INIZCTEOSA-N 0 3 332.488 3.439 40 0 EGABHN COc1ccccc1NC1CCN([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000096493110 454370083 /nfs/dbraw/zinc/37/00/83/454370083.db2.gz VEZRRULFPBLUBW-TZIWHRDSSA-N 0 3 338.451 3.230 40 0 EGABHN Cc1c([C@@H](C)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1C(C)C ZINC000191285548 455474887 /nfs/dbraw/zinc/47/48/87/455474887.db2.gz KVEZFVINHICKCP-UKRRQHHQSA-N 0 3 336.480 3.432 40 0 EGABHN CCN(C(=O)Cc1cccnc1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000110600460 454848540 /nfs/dbraw/zinc/84/85/40/454848540.db2.gz SFLZGBKELHZEKC-XLIONFOSSA-N 0 3 337.467 3.308 40 0 EGABHN COc1ccc(OC)c(NC(=O)NC[C@@H](C)N2CCCC[C@H]2C)c1 ZINC000245225160 455280796 /nfs/dbraw/zinc/28/07/96/455280796.db2.gz OMVFRRMEUIIWAT-ZIAGYGMSSA-N 0 3 335.448 3.088 40 0 EGABHN CC[C@H](NC1CCN(c2ccccc2OC)CC1)c1nccn1C ZINC000182691606 455569628 /nfs/dbraw/zinc/56/96/28/455569628.db2.gz OLTIYYNVJOVGLR-INIZCTEOSA-N 0 3 328.460 3.138 40 0 EGABHN Cc1ncccc1CN1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248588324 455721108 /nfs/dbraw/zinc/72/11/08/455721108.db2.gz GRQXVFIOODIXBH-ULQDDVLXSA-N 0 3 331.460 3.125 40 0 EGABHN c1ccc2c(c1)NCCC[C@@H]2NCc1ccnc(O[C@H]2CCOC2)c1 ZINC000193063807 455739921 /nfs/dbraw/zinc/73/99/21/455739921.db2.gz MIFREKNKZCZACN-LPHOPBHVSA-N 0 3 339.439 3.286 40 0 EGABHN Cc1noc(C)c1CN1CC[C@@H]2OCCC[C@@]2(COCC2CCC2)C1 ZINC000251975323 455799779 /nfs/dbraw/zinc/79/97/79/455799779.db2.gz DGJMIOUXNXTKSN-PMACEKPBSA-N 0 3 348.487 3.479 40 0 EGABHN C(CN1CCC[C@@H](c2nnc3n2CCC3)C1)SC1CCCCC1 ZINC000253396853 455839420 /nfs/dbraw/zinc/83/94/20/455839420.db2.gz KBGKHKLBRBZTGH-OAHLLOKOSA-N 0 3 334.533 3.470 40 0 EGABHN Cc1n[nH]cc1CN1CCOC[C@@H](Cc2ccc3ccoc3c2)C1 ZINC000257291826 455884025 /nfs/dbraw/zinc/88/40/25/455884025.db2.gz QIUBXPSWBPUCBG-INIZCTEOSA-N 0 3 325.412 3.155 40 0 EGABHN Cc1cnc(CN2CCC[C@H](Cc3nccn4cccc34)CC2)cn1 ZINC000257305671 455888054 /nfs/dbraw/zinc/88/80/54/455888054.db2.gz SQZJDPATBCEQGN-KRWDZBQOSA-N 0 3 335.455 3.278 40 0 EGABHN C[C@H](Oc1cccc(Cl)c1)C(=O)N1C[C@H](N)Cc2ccccc21 ZINC000261703548 455931552 /nfs/dbraw/zinc/93/15/52/455931552.db2.gz KHJODUOPQTVFKD-SWLSCSKDSA-N 0 3 330.815 3.024 40 0 EGABHN Cc1nc(N(C)C)sc1CN1CCC(n2cc(Cl)cn2)CC1 ZINC000195556570 455984781 /nfs/dbraw/zinc/98/47/81/455984781.db2.gz IAMUGMQSOKEWKJ-UHFFFAOYSA-N 0 3 339.896 3.205 40 0 EGABHN COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCCN(C)C3)nn2c1 ZINC000306139417 456566593 /nfs/dbraw/zinc/56/65/93/456566593.db2.gz SWSWCXVAGLJNLB-CQSZACIVSA-N 0 3 340.402 3.353 40 0 EGABHN Clc1cccnc1NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390881013 457447627 /nfs/dbraw/zinc/44/76/27/457447627.db2.gz VGOOWWWUPKTETD-MRXNPFEDSA-N 0 3 331.847 3.438 40 0 EGABHN CC(C)CN1C[C@@H]2CN(Cc3ccc(F)cc3)CCN2C(C)(C)C1 ZINC000514289222 458798650 /nfs/dbraw/zinc/79/86/50/458798650.db2.gz JVFPBOVPDFZDJC-IBGZPJMESA-N 0 3 333.495 3.062 40 0 biogenic,in-vitro EGABHN O[C@]1(COc2ccc(Cl)cc2)COCCN(C2CCCCC2)C1 ZINC000585282258 459832311 /nfs/dbraw/zinc/83/23/11/459832311.db2.gz ZZUHVWKQZIKUEX-SFHVURJKSA-N 0 3 339.863 3.115 40 0 EGABHN COc1cccc(CN[C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)c1 ZINC000585285355 459833129 /nfs/dbraw/zinc/83/31/29/459833129.db2.gz OORLZSNCNZIKOQ-XUVXKRRUSA-N 0 3 345.414 3.285 40 0 EGABHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccncc4)[C@H]3C=C12 ZINC000003999987 210097617 /nfs/dbraw/zinc/09/76/17/210097617.db2.gz AXMXPBSJTYIHAZ-MALKTNSBSA-N 0 3 340.467 3.485 40 0 biogenic EGABHN O=C(Nc1ccc(F)c(-n2cccc2)c1)N1CC[C@@H](N2CC=CC2)C1 ZINC000102716203 219224361 /nfs/dbraw/zinc/22/43/61/219224361.db2.gz HTSPLLAWPXGGSY-MRXNPFEDSA-N 0 3 340.402 3.094 40 0 EGABHN c1c(CC2(NC3CCCCC3)COC2)noc1COc1ccccc1 ZINC000067898156 215245391 /nfs/dbraw/zinc/24/53/91/215245391.db2.gz BAIYHDQNHZGAFA-UHFFFAOYSA-N 0 3 342.439 3.487 40 0 biogenic,in-vitro EGABHN Oc1cccc(-c2cc(CC3(NC4CCCCC4)COC3)no2)c1 ZINC000067898306 215245835 /nfs/dbraw/zinc/24/58/35/215245835.db2.gz NMJSBOZPDKSKFK-UHFFFAOYSA-N 0 3 328.412 3.281 40 0 biogenic,in-vitro EGABHN CN1CCN(C[C@H](NCc2cc(F)ccc2F)c2ccccc2)CC1 ZINC000069171041 215367360 /nfs/dbraw/zinc/36/73/60/215367360.db2.gz CTPSBSHRSNPJOZ-FQEVSTJZSA-N 0 3 345.437 3.043 40 0 EGABHN O=c1cc(C2CC[NH+](Cc3cccnc3)CC2)nc(-c2ccncc2)[n-]1 ZINC000072392702 216190669 /nfs/dbraw/zinc/19/06/69/216190669.db2.gz UMNXGMJUWTZJMO-UHFFFAOYSA-N 0 3 347.422 3.019 40 0 EGABHN CN1CCC(N(Cc2ccco2)C(=O)c2ccncc2Cl)CC1 ZINC000073093963 216349549 /nfs/dbraw/zinc/34/95/49/216349549.db2.gz BXTMZEJKTDUUTI-UHFFFAOYSA-N 0 3 333.819 3.065 40 0 EGABHN Cc1ncc2cc(C)nc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n12 ZINC000257274495 244388992 /nfs/dbraw/zinc/38/89/92/244388992.db2.gz NLIIXKBMNDWMKU-AWEZNQCLSA-N 0 3 330.432 3.461 40 0 EGABHN Cc1nc(C(F)(F)F)ccc1C(=O)NCC(C)(C)N1CCCCC1 ZINC000019656625 212053577 /nfs/dbraw/zinc/05/35/77/212053577.db2.gz MODVRPVRJYZSNQ-UHFFFAOYSA-N 0 3 343.393 3.403 40 0 EGABHN C[C@H](CN1CCCCCC1)NC(=O)c1cc2ccc(N(C)C)cc2[nH]1 ZINC000019456153 212029842 /nfs/dbraw/zinc/02/98/42/212029842.db2.gz XTOSTLPCYIRVFO-OAHLLOKOSA-N 0 3 342.487 3.228 40 0 EGABHN Cc1csc([C@@H](C)NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)n1 ZINC000078925540 217149497 /nfs/dbraw/zinc/14/94/97/217149497.db2.gz GUGISWAMHIICCC-HUUCEWRRSA-N 0 3 346.500 3.332 40 0 EGABHN CCCN1CCC[C@H]1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000079333638 217209916 /nfs/dbraw/zinc/20/99/16/217209916.db2.gz QIXKIQCDYRSKHS-RDJZCZTQSA-N 0 3 341.455 3.408 40 0 EGABHN Cc1cc(C)n(C[C@H](O)CN(Cc2ccco2)C[C@H]2CC=CCC2)n1 ZINC000012186005 211313511 /nfs/dbraw/zinc/31/35/11/211313511.db2.gz CPLVJSANCGWLTC-RBUKOAKNSA-N 0 3 343.471 3.312 40 0 EGABHN CCN1CCn2c(C)cnc2C12CCN(Cc1ccc(F)cc1)CC2 ZINC000096037059 218518852 /nfs/dbraw/zinc/51/88/52/218518852.db2.gz UGOXJNWPLNSALR-UHFFFAOYSA-N 0 3 342.462 3.157 40 0 EGABHN O=C(c1cccnc1)N1CCC2(C1)CCN(Cc1cccs1)CC2 ZINC000096046561 218533454 /nfs/dbraw/zinc/53/34/54/218533454.db2.gz LTGBVDXEKLAWBI-UHFFFAOYSA-N 0 3 341.480 3.271 40 0 EGABHN CC[C@@H]1C[C@@H]2CN3CCc4c5ccccc5[nH]c4[C@](C(=O)OC)(C2)[C@@H]13 ZINC000005082114 210386472 /nfs/dbraw/zinc/38/64/72/210386472.db2.gz NVVDQMVGALBDGE-AFAMQEBYSA-N 0 3 338.451 3.255 40 0 biogenic,in-vitro EGABHN COc1ccc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)cc1 ZINC000005045787 210372722 /nfs/dbraw/zinc/37/27/22/210372722.db2.gz ZTKVIOSWRLPOQT-UHFFFAOYSA-N 0 3 330.472 3.166 40 0 EGABHN c1ccc2c(c1)[C@H](N[C@H]1CCOC1)CC21CCN(c2cccnc2)CC1 ZINC000096079017 285523896 /nfs/dbraw/zinc/52/38/96/285523896.db2.gz GXVCHHMBYMRFIC-LAUBAEHRSA-N 0 3 349.478 3.443 40 0 EGABHN COC[C@@H](N[C@H]1CCCN(c2cccnn2)C1)c1ccc(Cl)cc1 ZINC000194102165 274044821 /nfs/dbraw/zinc/04/48/21/274044821.db2.gz XAOWKMCRJGQYNQ-DLBZAZTESA-N 0 3 346.862 3.076 40 0 EGABHN COc1ccc([C@H](O)CN2CCC(O)(c3ccccc3C)CC2)cc1 ZINC000012292494 274117404 /nfs/dbraw/zinc/11/74/04/274117404.db2.gz WLNGNYGBIXXOKL-HXUWFJFHSA-N 0 3 341.451 3.021 40 0 EGABHN CN(C)C(=O)NC1CC2(C1)CCN(Cc1ccc(Cl)cc1)CC2 ZINC000108526686 276744860 /nfs/dbraw/zinc/74/48/60/276744860.db2.gz KPRIVYNSUFWVIB-UHFFFAOYSA-N 0 3 335.879 3.356 40 0 EGABHN Cc1c(-c2cc(CN3CCC[C@H](c4ccncc4)C3)on2)cnn1C ZINC000295704694 308352281 /nfs/dbraw/zinc/35/22/81/308352281.db2.gz FPWCEZOCQZEHJU-INIZCTEOSA-N 0 3 337.427 3.158 40 0 EGABHN Cc1csc([C@H](C)N[C@@H](C)CCN2C(=O)c3ccccc3C2=O)n1 ZINC000195566392 323888136 /nfs/dbraw/zinc/88/81/36/323888136.db2.gz IDBWXOQZXQLZLH-AAEUAGOBSA-N 0 3 343.452 3.177 40 0 EGABHN C[C@@H](NC[C@@H](O)c1ccccc1F)c1cccc(-n2ccnc2)c1 ZINC000189900283 455251597 /nfs/dbraw/zinc/25/15/97/455251597.db2.gz VTOCZENKZMWWPM-AUUYWEPGSA-N 0 3 325.387 3.396 40 0 EGABHN OCCN[C@H](c1ccc(Cl)cc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000001555488 452667321 /nfs/dbraw/zinc/66/73/21/452667321.db2.gz FHGFQQXEMNVJIA-CVEARBPZSA-N 0 3 326.223 3.350 40 0 EGABHN CCN(CC)CCOC(=O)[C@H](c1ccccc1)[C@@H](O)[C@H]1CC=CCC1 ZINC000005572738 452885178 /nfs/dbraw/zinc/88/51/78/452885178.db2.gz HRCOKXUTLNEIOQ-ZCNNSNEGSA-N 0 3 345.483 3.372 40 0 EGABHN O=C(OCCN1CCCCC1)[C@](O)(c1ccccc1)C1CCCCC1 ZINC000006582260 452956791 /nfs/dbraw/zinc/95/67/91/452956791.db2.gz ULSFDMDCOKMGSL-NRFANRHFSA-N 0 3 345.483 3.484 40 0 EGABHN Cc1cc(C[N@@H+]2CCc3nc(C(C)C)[n-]c(=O)c3CC2)c(C)s1 ZINC000019567982 453657847 /nfs/dbraw/zinc/65/78/47/453657847.db2.gz GIOJEKATUVOMNT-UHFFFAOYSA-N 0 3 331.485 3.172 40 0 EGABHN Cc1cc(C[N@H+]2CCc3nc(C(C)C)[n-]c(=O)c3CC2)c(C)s1 ZINC000019567982 453657849 /nfs/dbraw/zinc/65/78/49/453657849.db2.gz GIOJEKATUVOMNT-UHFFFAOYSA-N 0 3 331.485 3.172 40 0 EGABHN CC(=O)N1CCCC[C@@H]2[C@H]1CCN2Cc1c[nH]nc1-c1ccccc1 ZINC000019712479 453658811 /nfs/dbraw/zinc/65/88/11/453658811.db2.gz UHMSXHXSUHXHMA-RTBURBONSA-N 0 3 338.455 3.052 40 0 EGABHN CC(C(=O)NC(C)(C)C)S(=O)(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000044640203 454111689 /nfs/dbraw/zinc/11/16/89/454111689.db2.gz KOOLHIFJJWZZOL-CYBMUJFWSA-N 0 3 339.501 3.202 40 0 EGABHN O=C(NCC1CCN(c2ccncc2)CC1)c1cccc(Cl)c1 ZINC000070928427 454185742 /nfs/dbraw/zinc/18/57/42/454185742.db2.gz MQABNXHNCXJDPR-UHFFFAOYSA-N 0 3 329.831 3.381 40 0 EGABHN O=C(NCC1CCN(c2ccncc2)CC1)c1ccccc1Cl ZINC000070928424 454186471 /nfs/dbraw/zinc/18/64/71/454186471.db2.gz BTWPOISGSVGFCQ-UHFFFAOYSA-N 0 3 329.831 3.381 40 0 EGABHN COc1ccc(OC)c(NC(=O)NC[C@H](C)N2CCCC[C@@H]2C)c1 ZINC000045959120 454201290 /nfs/dbraw/zinc/20/12/90/454201290.db2.gz OMVFRRMEUIIWAT-KBPBESRZSA-N 0 3 335.448 3.088 40 0 EGABHN CCN1CCn2c(C)cnc2C12CCN(Cc1cccs1)CC2 ZINC000096037052 454265709 /nfs/dbraw/zinc/26/57/09/454265709.db2.gz LXLSGTATKKIBNB-UHFFFAOYSA-N 0 3 330.501 3.080 40 0 EGABHN Cc1ccc(CN2CC[C@@]3(C2)CCCN(C(=O)c2cccnc2)C3)o1 ZINC000096047041 454269978 /nfs/dbraw/zinc/26/99/78/454269978.db2.gz FFRSFKRQZIYUMR-HXUWFJFHSA-N 0 3 339.439 3.111 40 0 EGABHN c1ccc(CN2CCC3(CC2)CCN(Cc2ccccn2)CC3)nc1 ZINC000096047203 454270466 /nfs/dbraw/zinc/27/04/66/454270466.db2.gz XUZPXWOPVUFQPJ-UHFFFAOYSA-N 0 3 336.483 3.355 40 0 EGABHN c1csc(CN2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)c1 ZINC000096048232 454271489 /nfs/dbraw/zinc/27/14/89/454271489.db2.gz OWTUZEKXYHYKHL-SJLPKXTDSA-N 0 3 330.453 3.346 40 0 EGABHN Cc1ccc(N[C@H]2CO[C@]3(C2)CCCN(Cc2ccsc2)C3)nn1 ZINC000096048444 454271707 /nfs/dbraw/zinc/27/17/07/454271707.db2.gz XKXNPPZXEKWQKL-AEFFLSMTSA-N 0 3 344.484 3.082 40 0 EGABHN COc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)cc1 ZINC000096056619 454274060 /nfs/dbraw/zinc/27/40/60/454274060.db2.gz KJEHYFNEYIXVQW-WOJBJXKFSA-N 0 3 336.435 3.465 40 0 EGABHN COc1cccc(CN2CCC3(C[C@H](OCC4CC4)CO3)CC2)c1 ZINC000096106626 454284373 /nfs/dbraw/zinc/28/43/73/454284373.db2.gz ZBMJLULNFAJBQH-IBGZPJMESA-N 0 3 331.456 3.245 40 0 EGABHN Cc1ccsc1CN1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096187173 454299546 /nfs/dbraw/zinc/29/95/46/454299546.db2.gz YTQDTYSOKXCLBZ-AOIWGVFYSA-N 0 3 344.480 3.400 40 0 EGABHN Cc1ccc(CN2CC[C@@H](OCc3ccccn3)[C@H]3OCC[C@@H]32)cc1 ZINC000096209896 454306063 /nfs/dbraw/zinc/30/60/63/454306063.db2.gz CSEGMGLBOSROJF-HBMCJLEFSA-N 0 3 338.451 3.339 40 0 EGABHN O=C(C[C@@H]1COC2(C1)CCN(Cc1cccs1)CC2)N1CCCC1 ZINC000096221961 454308925 /nfs/dbraw/zinc/30/89/25/454308925.db2.gz MMARKCADGHMVSD-INIZCTEOSA-N 0 3 348.512 3.132 40 0 EGABHN O=C(c1cscn1)N1C[C@H]2CN(Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000096245485 454312101 /nfs/dbraw/zinc/31/21/01/454312101.db2.gz PEXMFTUKJOGULG-ZIAGYGMSSA-N 0 3 347.871 3.001 40 0 EGABHN Cc1ccc(CNC(=O)C2CCN(Cc3ccncc3)CC2)cc1F ZINC000096424615 454338673 /nfs/dbraw/zinc/33/86/73/454338673.db2.gz XAWNAAVAXGSEIZ-UHFFFAOYSA-N 0 3 341.430 3.058 40 0 EGABHN C[C@@H]1CCN(C(=O)/C=C/c2cccnc2)CCN1Cc1ccccc1 ZINC000096433128 454343511 /nfs/dbraw/zinc/34/35/11/454343511.db2.gz GLTXECQLBMICCN-QZEKMECESA-N 0 3 335.451 3.218 40 0 EGABHN O=C(NCCc1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000047302471 454355337 /nfs/dbraw/zinc/35/53/37/454355337.db2.gz DHAQDDIZVYCASS-UHFFFAOYSA-N 0 3 340.442 3.397 40 0 EGABHN CCCC[C@H](NCC1(c2ccc(Cl)cc2)CCOCC1)C(N)=O ZINC000079029829 454357530 /nfs/dbraw/zinc/35/75/30/454357530.db2.gz CNPDOZSNBHBNLO-INIZCTEOSA-N 0 3 338.879 3.022 40 0 EGABHN C[C@@H]1CN(CCC2CCN(C(=O)/C=C/c3ccco3)CC2)C[C@H](C)O1 ZINC000096456017 454358393 /nfs/dbraw/zinc/35/83/93/454358393.db2.gz GTMICELXFRGYQZ-WZDWLKHJSA-N 0 3 346.471 3.031 40 0 EGABHN CC(C)N(CCN(C)C)C(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC000096500847 454372082 /nfs/dbraw/zinc/37/20/82/454372082.db2.gz MOUOQGDOWOVTJU-UHFFFAOYSA-N 0 3 331.464 3.421 40 0 EGABHN Cc1ccc(CN2CCC[C@]3(C[C@@H](Oc4ncccn4)CO3)C2)s1 ZINC000107228213 454747218 /nfs/dbraw/zinc/74/72/18/454747218.db2.gz HECZIZUNNFBAFD-QAPCUYQASA-N 0 3 345.468 3.049 40 0 EGABHN Cc1ccc(CN2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)o1 ZINC000107746886 454772444 /nfs/dbraw/zinc/77/24/44/454772444.db2.gz JJGSEOORIJZVGU-QFBILLFUSA-N 0 3 330.403 3.065 40 0 EGABHN COc1ccc(-c2noc([C@@H]3CCCN3C3CCOCC3)n2)cc1 ZINC000125456097 454823547 /nfs/dbraw/zinc/82/35/47/454823547.db2.gz FNRXOUFSOMDYJT-INIZCTEOSA-N 0 3 329.400 3.061 40 0 EGABHN CC(=O)Nc1ccc(N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000181956795 455404812 /nfs/dbraw/zinc/40/48/12/455404812.db2.gz SJBMPBACTOFJLE-YWZLYKJASA-N 0 3 338.455 3.363 40 0 EGABHN Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)CCn1ccnc1C(C)C ZINC000257289684 455884111 /nfs/dbraw/zinc/88/41/11/455884111.db2.gz PZUNOOAWFGUCDD-HNNXBMFYSA-N 0 3 329.448 3.182 40 0 EGABHN CCOc1ccc(CN2CCC[C@@H](Cc3n[nH]cc3C)C2)cc1CO ZINC000257344147 455897076 /nfs/dbraw/zinc/89/70/76/455897076.db2.gz ZVYSEETZSBUUNZ-INIZCTEOSA-N 0 3 343.471 3.064 40 0 EGABHN CNS(=O)(=O)Cc1ccc(CN[C@H](C)c2cccc(C)c2C)cc1 ZINC000195540555 455982493 /nfs/dbraw/zinc/98/24/93/455982493.db2.gz VIUMJAUDGNXWOW-MRXNPFEDSA-N 0 3 346.496 3.203 40 0 EGABHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000195553912 455984155 /nfs/dbraw/zinc/98/41/55/455984155.db2.gz PAXSWWDWSTWKIY-UHIISALHSA-N 0 3 344.425 3.338 40 0 EGABHN Cc1cc(Br)cc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000195565607 455986006 /nfs/dbraw/zinc/98/60/06/455986006.db2.gz IUHKUBUZPWRXPR-SWLSCSKDSA-N 0 3 339.277 3.312 40 0 EGABHN COc1ccc(CN(CCN(C)C)Cc2ccccc2)cc1OC ZINC000199425256 456015555 /nfs/dbraw/zinc/01/55/55/456015555.db2.gz ALGRLJHOMHIVTJ-UHFFFAOYSA-N 0 3 328.456 3.268 40 0 EGABHN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 ZINC000222773524 456050562 /nfs/dbraw/zinc/05/05/62/456050562.db2.gz ZVSIYQKXLZOKQG-ROUUACIJSA-N 0 3 349.463 3.260 40 0 EGABHN Cc1ccc2c(n1)N(C)[C@H](CO)CCN(CCCc1ccccc1)C2 ZINC000225494091 456087677 /nfs/dbraw/zinc/08/76/77/456087677.db2.gz XMKZVATYPNFVLX-FQEVSTJZSA-N 0 3 339.483 3.026 40 0 biogenic,in-vitro EGABHN Cc1ccc(OCC2(O)CCN(Cc3ccc(O)cc3)CC2)cc1 ZINC000585272477 459832292 /nfs/dbraw/zinc/83/22/92/459832292.db2.gz JCOJEIHGCRMKPE-UHFFFAOYSA-N 0 3 327.424 3.107 40 0 EGABHN CC(=O)N1CCC[C@H](NCc2ccncc2)[C@@H]1Cc1cccc(C)c1 ZINC000585285593 459833595 /nfs/dbraw/zinc/83/35/95/459833595.db2.gz LFBAWZIGCGWUSY-SFTDATJTSA-N 0 3 337.467 3.102 40 0 EGABHN O=C(c1cc2ccccc2[nH]1)N1CCCN(C2CCSCC2)CC1 ZINC000575608571 459980909 /nfs/dbraw/zinc/98/09/09/459980909.db2.gz UQNWTVQDPYIAHD-UHFFFAOYSA-N 0 3 343.496 3.211 40 0 EGABHN CN(C)Cc1ccc(C(=O)N2CCC(Cc3ccncc3)CC2)cc1 ZINC000257278693 535996058 /nfs/dbraw/zinc/99/60/58/535996058.db2.gz ODGJMGPPPCQRSY-UHFFFAOYSA-N 0 3 337.467 3.238 40 0 EGABHN Cn1cc(CC(=O)N2CCC[C@@H]2CN2CCCCC2)c2ccccc21 ZINC000068131885 215280466 /nfs/dbraw/zinc/28/04/66/215280466.db2.gz OHJNJORPRINQKZ-GOSISDBHSA-N 0 3 339.483 3.198 40 0 EGABHN CCN1CCC[C@@](O)(CN(Cc2ccco2)Cc2cccs2)C1 ZINC000040714631 213373438 /nfs/dbraw/zinc/37/34/38/213373438.db2.gz IIDAWUUMUFXJQS-SFHVURJKSA-N 0 3 334.485 3.190 40 0 EGABHN COc1ccc(CN2CC[C@@H](O)[C@H](C)C2)cc1Cc1c(C)noc1C ZINC000036740614 213116493 /nfs/dbraw/zinc/11/64/93/213116493.db2.gz IBMUQVSENUPZIY-BFUOFWGJSA-N 0 3 344.455 3.094 40 0 EGABHN CC(C)(C)OC(=O)N1CCC[C@H]1CNCc1cnc(Cl)s1 ZINC000072203462 216068818 /nfs/dbraw/zinc/06/88/18/216068818.db2.gz SOTQCRMTIIAQOH-JTQLQIEISA-N 0 3 331.869 3.286 40 0 EGABHN O=C(C1CCCC1)N1C[C@@H]2CCCCN(Cc3cccnc3)[C@@H]2C1 ZINC000072330638 216155315 /nfs/dbraw/zinc/15/53/15/216155315.db2.gz IQLBXUQATGBAMV-RBUKOAKNSA-N 0 3 327.472 3.085 40 0 EGABHN CCN1CCC[C@H](c2cc(Nc3nc(C)cc(C)n3)nc(C)n2)C1 ZINC000072363446 216169691 /nfs/dbraw/zinc/16/96/91/216169691.db2.gz DCIAKCIHLOPUOQ-HNNXBMFYSA-N 0 3 326.448 3.135 40 0 EGABHN COc1cccc(-c2noc([C@H]3CCN(Cc4ccncc4)C3)n2)c1 ZINC000072369870 216177862 /nfs/dbraw/zinc/17/78/62/216177862.db2.gz FCEIHYIEJPABSQ-INIZCTEOSA-N 0 3 336.395 3.130 40 0 EGABHN Cc1ccc(C2(C(=O)Nc3ccc(OCCN(C)C)nc3)CC2)cc1 ZINC000225940848 242079320 /nfs/dbraw/zinc/07/93/20/242079320.db2.gz XDVLVUPTMINFHW-UHFFFAOYSA-N 0 3 339.439 3.001 40 0 EGABHN Cc1ncc(CN(C)C)c([C@@H]2CCCN2CCOc2ccccc2)n1 ZINC000257202819 244123382 /nfs/dbraw/zinc/12/33/82/244123382.db2.gz ANOPCTOSGDBELV-IBGZPJMESA-N 0 3 340.471 3.063 40 0 EGABHN C[C@]12CCN(Cc3cccnc3)[C@H]1CCC(=O)N2Cc1ccccc1 ZINC000257248967 244263283 /nfs/dbraw/zinc/26/32/83/244263283.db2.gz JGBCDKQRNWJDBY-FPOVZHCZSA-N 0 3 335.451 3.237 40 0 EGABHN Nc1nc2nc(C3CCN(Cc4cccnc4)CC3)ccc2s1 ZINC000257250292 244268641 /nfs/dbraw/zinc/26/86/41/244268641.db2.gz JLXUZEDOVPKWJC-UHFFFAOYSA-N 0 3 325.441 3.048 40 0 EGABHN Cn1cc(CN2CC[C@@H](C(=O)N3CCCCC3)C2)c2cc(F)ccc21 ZINC000019747928 212061593 /nfs/dbraw/zinc/06/15/93/212061593.db2.gz XFJZPVIGZNMHBM-OAHLLOKOSA-N 0 3 343.446 3.152 40 0 EGABHN COc1ccc2nc(C)c(C(=O)N3CCCC[C@H]3CN(C)C)cc2c1 ZINC000019582576 212046820 /nfs/dbraw/zinc/04/68/20/212046820.db2.gz QMOCCKFOPBZAMZ-INIZCTEOSA-N 0 3 341.455 3.108 40 0 EGABHN COc1ccccc1CN1CC[C@H](c2nc(-c3ccncc3)no2)C1 ZINC000019570070 212043753 /nfs/dbraw/zinc/04/37/53/212043753.db2.gz LWQHMTRTOAERJW-INIZCTEOSA-N 0 3 336.395 3.130 40 0 EGABHN CCN1CCC[C@H]1CN(Cc1ccccn1)Cc1cccnc1NC ZINC000019527198 212037986 /nfs/dbraw/zinc/03/79/86/212037986.db2.gz BLRIHZZDFBLDBT-IBGZPJMESA-N 0 3 339.487 3.005 40 0 EGABHN COc1ccc([C@@H](NCC(=O)N(C)Cc2ccco2)C(C)C)cc1 ZINC000049581075 214020375 /nfs/dbraw/zinc/02/03/75/214020375.db2.gz ZXDROBDKOWRHBA-IBGZPJMESA-N 0 3 330.428 3.234 40 0 EGABHN Cc1ccc(-n2cccc2CN(CCN(C)C)Cc2ccccn2)nc1 ZINC000019216218 212004993 /nfs/dbraw/zinc/00/49/93/212004993.db2.gz ULQXJKNUFPWQJI-UHFFFAOYSA-N 0 3 349.482 3.140 40 0 EGABHN Cc1csc([C@@H](C)NC(=O)NC[C@H](C)N(C)Cc2ccccc2)n1 ZINC000078925547 217148772 /nfs/dbraw/zinc/14/87/72/217148772.db2.gz GUGISWAMHIICCC-LSDHHAIUSA-N 0 3 346.500 3.332 40 0 EGABHN C[C@@H](NC(=O)N(C)CC1CCN(C)CC1)c1csc(C2CC2)n1 ZINC000079036672 217178466 /nfs/dbraw/zinc/17/84/66/217178466.db2.gz GKKJBRLQXQNTRE-GFCCVEGCSA-N 0 3 336.505 3.065 40 0 EGABHN C[C@@H](NC1(CNC(=O)C[C@H]2C=CCC2)CCOCC1)c1ccccc1 ZINC000079096335 217192135 /nfs/dbraw/zinc/19/21/35/217192135.db2.gz PJPQVPKDPGKLEJ-MSOLQXFVSA-N 0 3 342.483 3.359 40 0 EGABHN CC/C=C(/C)C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000079096392 217192222 /nfs/dbraw/zinc/19/22/22/217192222.db2.gz POMGNADPRAIGOH-KZRVJCNKSA-N 0 3 330.472 3.359 40 0 EGABHN Cc1ccc([C@H](O)CN2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC000012292160 211335682 /nfs/dbraw/zinc/33/56/82/211335682.db2.gz XDOOTOYTIXKVAN-LJQANCHMSA-N 0 3 329.415 3.151 40 0 EGABHN CCCN1C[C@H](NC(=O)[C@H]2CC=CCC2)[C@@H](c2ccc(OC)cc2)C1 ZINC000012241808 211328785 /nfs/dbraw/zinc/32/87/85/211328785.db2.gz DXNLEZMLMFJLPC-SXLOBPIMSA-N 0 3 342.483 3.346 40 0 EGABHN CC(C)(C)c1ccc(CN2CCC(N3CCCNC3=O)CC2)s1 ZINC000093669326 218242092 /nfs/dbraw/zinc/24/20/92/218242092.db2.gz JWPOXSQSMZFKNB-UHFFFAOYSA-N 0 3 335.517 3.425 40 0 EGABHN O=C1NCCCN1C1CCN(Cc2ccc(-c3ccccc3)o2)CC1 ZINC000093668738 218242576 /nfs/dbraw/zinc/24/25/76/218242576.db2.gz JIPMKJQRLAALIB-UHFFFAOYSA-N 0 3 339.439 3.326 40 0 EGABHN C[C@@H]1CC[C@@H](CCC(=O)NC2CCN(Cc3cccs3)CC2)O1 ZINC000095404735 218340016 /nfs/dbraw/zinc/34/00/16/218340016.db2.gz XIKDUUBKVCCANO-ZBFHGGJFSA-N 0 3 336.501 3.176 40 0 EGABHN O=C(c1cc(C2CC2)on1)N1CCc2c1cccc2CN1CCCC1 ZINC000095405461 218341256 /nfs/dbraw/zinc/34/12/56/218341256.db2.gz LHZYQPUCJMCKDN-UHFFFAOYSA-N 0 3 337.423 3.351 40 0 EGABHN C[C@@H](CC(=O)Nc1ccc(Cl)cc1)NC[C@](C)(O)c1ccco1 ZINC000095423309 218365759 /nfs/dbraw/zinc/36/57/59/218365759.db2.gz GTUPUUUYLQAWML-SJCJKPOMSA-N 0 3 336.819 3.147 40 0 EGABHN O=C(C[C@@H]1COC2(C1)CCN(Cc1ccsc1)CC2)N1CCCC1 ZINC000096048170 218535693 /nfs/dbraw/zinc/53/56/93/218535693.db2.gz RGRQXLWERHYGJX-KRWDZBQOSA-N 0 3 348.512 3.132 40 0 EGABHN Cc1ccc(CN(C)C)cc1NS(=O)(=O)Cc1cccc(F)c1 ZINC000154028682 323221376 /nfs/dbraw/zinc/22/13/76/323221376.db2.gz OENBRZOZSIEHKT-UHFFFAOYSA-N 0 3 336.432 3.138 40 0 EGABHN FC(F)(F)Oc1cccc(N2CC[C@H](NCc3cncs3)C2)c1 ZINC000240894813 455265781 /nfs/dbraw/zinc/26/57/81/455265781.db2.gz IQCGITZJVYSGRS-NSHDSACASA-N 0 3 343.374 3.410 40 0 EGABHN CCCCN(C)CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000003179599 452745894 /nfs/dbraw/zinc/74/58/94/452745894.db2.gz YRLIENNWQSKHDM-UHFFFAOYSA-N 0 3 332.897 3.129 40 0 EGABHN CN1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)[C@H]2c1ccccc1 ZINC000005063906 452834304 /nfs/dbraw/zinc/83/43/04/452834304.db2.gz LCVKLTSVIZBQFL-LJQANCHMSA-N 0 3 348.446 3.051 40 0 EGABHN Cc1cc([C@@H]2NC(=N)Nc3nc4ccccc4n32)c(C)n1CC(C)C ZINC000007030635 453019593 /nfs/dbraw/zinc/01/95/93/453019593.db2.gz ZVODNCITGSFBRQ-QGZVFWFLSA-N 0 3 336.443 3.207 40 0 EGABHN O=C1NC[C@@H]([C@@H]2CCCN(Cc3ccccc3)C2)Oc2ccccc21 ZINC000019371932 453656382 /nfs/dbraw/zinc/65/63/82/453656382.db2.gz GGNONQJFXASSTJ-XLIONFOSSA-N 0 3 336.435 3.090 40 0 EGABHN Oc1cccc(CN2CCC[C@@H](c3noc(-c4ccccn4)n3)C2)c1 ZINC000019402980 453656841 /nfs/dbraw/zinc/65/68/41/453656841.db2.gz SQWPLQWMABNFIQ-OAHLLOKOSA-N 0 3 336.395 3.217 40 0 EGABHN CC1(C)[C@@H]2C[C@H]1C(COC[C@H](O)CN1CCc3ccccc3C1)=CC2 ZINC000058407786 454200253 /nfs/dbraw/zinc/20/02/53/454200253.db2.gz DCHBVYQEDRWVSH-HBMCJLEFSA-N 0 3 341.495 3.415 40 0 EGABHN Cc1ccc(CN2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)o1 ZINC000096107330 454284550 /nfs/dbraw/zinc/28/45/50/454284550.db2.gz IZSSLTRKTRSYCL-UXHICEINSA-N 0 3 342.439 3.323 40 0 EGABHN c1cc(CN2CCC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)cs1 ZINC000096107296 454285010 /nfs/dbraw/zinc/28/50/10/454285010.db2.gz RZMQWTJIQKXPCX-MOPGFXCFSA-N 0 3 344.480 3.483 40 0 EGABHN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(Cc3cccnc3)C[C@H]21 ZINC000096145643 454292975 /nfs/dbraw/zinc/29/29/75/454292975.db2.gz ASDLWPDCMVEIRM-MSOLQXFVSA-N 0 3 330.435 3.254 40 0 EGABHN Cn1cccc1CN1CC[C@@]2(C1)CCCN(C(=O)c1cccs1)C2 ZINC000096158134 454295803 /nfs/dbraw/zinc/29/58/03/454295803.db2.gz WYGBSVSZNLMWAJ-LJQANCHMSA-N 0 3 343.496 3.215 40 0 EGABHN COCCC(=O)N1CCC2(CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000096158414 454295830 /nfs/dbraw/zinc/29/58/30/454295830.db2.gz VVKHTCMZCQLAQU-UHFFFAOYSA-N 0 3 348.462 3.067 40 0 EGABHN c1cc(CN2CC[C@H]3OCC[C@@]3(CCNc3ncccn3)C2)cs1 ZINC000096208362 454304104 /nfs/dbraw/zinc/30/41/04/454304104.db2.gz VQAQJCWWUORPAZ-AEFFLSMTSA-N 0 3 344.484 3.021 40 0 EGABHN Cc1ccc(CN2CC[C@]3(CC(=O)N(c4cccnc4)C3)C2)s1 ZINC000096239103 454310761 /nfs/dbraw/zinc/31/07/61/454310761.db2.gz RKMMRKHODKCLFT-SFHVURJKSA-N 0 3 327.453 3.081 40 0 EGABHN FC1(F)CCN(Cc2ccccc2)C[C@]12CCN(c1cnccn1)C2 ZINC000096239721 454311833 /nfs/dbraw/zinc/31/18/33/454311833.db2.gz XKWNHACAZPYHFN-SFHVURJKSA-N 0 3 344.409 3.214 40 0 EGABHN COCCN1CCC(NC(=O)C2(c3cccc(C)c3)CCCC2)CC1 ZINC000096403267 454322287 /nfs/dbraw/zinc/32/22/87/454322287.db2.gz OMGXEIFEARFCJK-UHFFFAOYSA-N 0 3 344.499 3.034 40 0 EGABHN Cc1ccc(NC(=O)c2cnn(C(C)(C)C)c2)c(OCCN(C)C)c1 ZINC000096414611 454331278 /nfs/dbraw/zinc/33/12/78/454331278.db2.gz KFMDEDQCHWWAEZ-UHFFFAOYSA-N 0 3 344.459 3.139 40 0 EGABHN CNC(=O)c1ccc(CN2CCC(Nc3cccc(C)c3)CC2)cc1 ZINC000096421205 454336880 /nfs/dbraw/zinc/33/68/80/454336880.db2.gz UXTXARSTIRJQFB-UHFFFAOYSA-N 0 3 337.467 3.431 40 0 EGABHN CC(=O)Nc1cccc(CN(C[C@@H](O)c2ccc(F)cc2)C2CC2)c1 ZINC000096424431 454338449 /nfs/dbraw/zinc/33/84/49/454338449.db2.gz WQWYUZZIFDGETI-HXUWFJFHSA-N 0 3 342.414 3.482 40 0 EGABHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc(Cl)cn1 ZINC000096432957 454343452 /nfs/dbraw/zinc/34/34/52/454343452.db2.gz UXCZYHRIPWGRKU-INIZCTEOSA-N 0 3 343.858 3.329 40 0 EGABHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc(Cl)cn1 ZINC000096432958 454343594 /nfs/dbraw/zinc/34/35/94/454343594.db2.gz UXCZYHRIPWGRKU-MRXNPFEDSA-N 0 3 343.858 3.329 40 0 EGABHN C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(F)cc(N3CCCC3)c2)CCN1C ZINC000096434432 454345657 /nfs/dbraw/zinc/34/56/57/454345657.db2.gz NAAWBLWANQAWPT-RHSMWYFYSA-N 0 3 348.466 3.372 40 0 EGABHN CSc1ccc(OCCN2CCC(C(=O)NC(C)C)CC2)cc1 ZINC000096441393 454350383 /nfs/dbraw/zinc/35/03/83/454350383.db2.gz UYNUAFJMKUXPFK-UHFFFAOYSA-N 0 3 336.501 3.024 40 0 EGABHN CCc1noc(CC)c1CC(=O)Nc1cnccc1N1CCCCC1 ZINC000096461573 454359534 /nfs/dbraw/zinc/35/95/34/454359534.db2.gz XUXPGVUCMVGSRX-UHFFFAOYSA-N 0 3 342.443 3.366 40 0 EGABHN Cc1cc(C[C@H](C)NCc2c(C)nn(C)c2C)n(-c2ccccc2)n1 ZINC000091064240 454375269 /nfs/dbraw/zinc/37/52/69/454375269.db2.gz HWOPYYPXBDDKHL-AWEZNQCLSA-N 0 3 337.471 3.252 40 0 EGABHN C[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)c1nccs1 ZINC000097378823 454435915 /nfs/dbraw/zinc/43/59/15/454435915.db2.gz GFABNTBMLOOSDT-YCPHGPKFSA-N 0 3 344.484 3.024 40 0 EGABHN CCSCc1ccnc(NC(=O)N2CCC(N3CC=CC3)CC2)c1 ZINC000102317129 454500041 /nfs/dbraw/zinc/50/00/41/454500041.db2.gz UAJDIXGHUOEARQ-UHFFFAOYSA-N 0 3 346.500 3.203 40 0 EGABHN CN(C(=O)CCc1cccnc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074447092 454583239 /nfs/dbraw/zinc/58/32/39/454583239.db2.gz PQVVYAATHVRXTE-HXUWFJFHSA-N 0 3 337.467 3.137 40 0 EGABHN COc1ccsc1C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000105946344 454670316 /nfs/dbraw/zinc/67/03/16/454670316.db2.gz FLVAUJXLBZJWJT-UHFFFAOYSA-N 0 3 334.441 3.086 40 0 EGABHN Cc1ncsc1CN1CC[C@H]2OCCC[C@@]2(COCC2CC2)C1 ZINC000107712066 454770018 /nfs/dbraw/zinc/77/00/18/454770018.db2.gz SEWYPOTXDYBQCO-MSOLQXFVSA-N 0 3 336.501 3.249 40 0 EGABHN Cn1ccnc1[C@H](N[C@@H]1CCN(c2ccc(F)cc2F)C1)C1CC1 ZINC000127672184 454986743 /nfs/dbraw/zinc/98/67/43/454986743.db2.gz HODWCJCACDMFBW-RHSMWYFYSA-N 0 3 332.398 3.018 40 0 EGABHN c1csc(CN2CC[C@@H]3[C@H](CC2)OCCN3c2cccnc2)c1 ZINC000247856765 455649989 /nfs/dbraw/zinc/64/99/89/455649989.db2.gz XUCSKECROGLCQN-MSOLQXFVSA-N 0 3 329.469 3.013 40 0 EGABHN C[C@H](c1ccccn1)N1CCN(CCCCC2CCOCC2)CC1 ZINC000252499786 455815497 /nfs/dbraw/zinc/81/54/97/455815497.db2.gz SEGQCFTUXAQXQO-GOSISDBHSA-N 0 3 331.504 3.357 40 0 EGABHN CN1CCC[C@@H]2N(C(=O)C(C)(C)Oc3ccc(F)cc3)CCC[C@@]21C ZINC000257290864 455884282 /nfs/dbraw/zinc/88/42/82/455884282.db2.gz QEQJQYUGTQREIN-PXNSSMCTSA-N 0 3 348.462 3.458 40 0 EGABHN CC(=O)NCc1cc([C@@H]2CCCN2CCc2ccc(F)cc2)ccn1 ZINC000257330530 455893581 /nfs/dbraw/zinc/89/35/81/455893581.db2.gz XOTQTXUVSPHHPO-FQEVSTJZSA-N 0 3 341.430 3.236 40 0 EGABHN COc1ccccc1CN[C@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585289607 459833793 /nfs/dbraw/zinc/83/37/93/459833793.db2.gz SEPOFHNAHUGTIY-DFQSSKMNSA-N 0 3 345.414 3.285 40 0 EGABHN COc1cccc(N2CCN(C[C@@H]3CCOc4ccccc43)CC2)c1 ZINC000678122082 549400294 /nfs/dbraw/zinc/40/02/94/549400294.db2.gz FTEPYZNWCDSHEG-KRWDZBQOSA-N 0 3 338.451 3.384 40 0 EGABHN COc1ccc(CN2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000049169637 213992102 /nfs/dbraw/zinc/99/21/02/213992102.db2.gz RVIVFQZLUGVZBY-INIZCTEOSA-N 0 3 336.395 3.130 40 0 biogenic,in-vitro EGABHN CCN1CCC[C@](O)(CN(Cc2ccco2)Cc2cccs2)C1 ZINC000040714629 213372858 /nfs/dbraw/zinc/37/28/58/213372858.db2.gz IIDAWUUMUFXJQS-GOSISDBHSA-N 0 3 334.485 3.190 40 0 EGABHN CCOCCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038856810 213228073 /nfs/dbraw/zinc/22/80/73/213228073.db2.gz HNDYLGCGNCGTGA-INIZCTEOSA-N 0 3 338.879 3.095 40 0 EGABHN N[C@@H]1C[C@@]2(CCC(=O)N(Cc3ccccc3)CC2)Oc2ccccc21 ZINC000072327735 216152439 /nfs/dbraw/zinc/15/24/39/216152439.db2.gz CMEIMTLPZKIBHJ-NQIIRXRSSA-N 0 3 336.435 3.420 40 0 EGABHN O=c1cc(C2CC[NH+](Cc3cccnc3)CC2)nc(-c2cccnc2)[n-]1 ZINC000072392756 216190657 /nfs/dbraw/zinc/19/06/57/216190657.db2.gz HUGMDGKTFDDCRY-UHFFFAOYSA-N 0 3 347.422 3.019 40 0 EGABHN CCN(CC)CCN(C)[C@](O)(C(=O)c1ccccc1)C1CCCCC1 ZINC000022859787 212329524 /nfs/dbraw/zinc/32/95/24/212329524.db2.gz KTGWDRXREWABPW-OAQYLSRUSA-N 0 3 346.515 3.412 40 0 EGABHN CC(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2Cc1cccnc1 ZINC000257257853 244286707 /nfs/dbraw/zinc/28/67/07/244286707.db2.gz KRIWZSIDERGQQR-FKBYEOEOSA-N 0 3 349.478 3.451 40 0 EGABHN C[C@@H]1C[C@@H]1C(=O)N(C)C1CCC2(CC1)CN(C)Cc1ccccc1O2 ZINC000019462657 212031414 /nfs/dbraw/zinc/03/14/14/212031414.db2.gz XYXLQFRGOUIUPI-BQSYYEAHSA-N 0 3 342.483 3.307 40 0 EGABHN CC[C@@H](c1nnnn1C1CCCCC1)N1CCN(C2CCCC2)CC1 ZINC000019500614 212033710 /nfs/dbraw/zinc/03/37/10/212033710.db2.gz ZRSBGCKVXBWYKF-SFHVURJKSA-N 0 3 346.523 3.190 40 0 EGABHN CC[C@@H]1CCCCN1CC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000019500947 212033162 /nfs/dbraw/zinc/03/31/62/212033162.db2.gz GWIKTCAIDIIMEL-CRAIPNDOSA-N 0 3 340.471 3.491 40 0 EGABHN CC(C)[C@@H](c1nnnn1C(C)(C)C)N1CCN(C2CCCCC2)CC1 ZINC000019445941 212028566 /nfs/dbraw/zinc/02/85/66/212028566.db2.gz OREKLYJBCGAAFA-KRWDZBQOSA-N 0 3 348.539 3.076 40 0 EGABHN O=c1cc(C2CC[NH+](CC3CCCC3)CC2)nc(-c2cccnc2)[n-]1 ZINC000019340895 212018776 /nfs/dbraw/zinc/01/87/76/212018776.db2.gz KTHHWXGKCFSEPI-UHFFFAOYSA-N 0 3 338.455 3.202 40 0 EGABHN O[C@]1(c2cccnc2)CCC[C@H]2CN(Cc3ccc(F)c(F)c3)C[C@@H]21 ZINC000012337137 211351239 /nfs/dbraw/zinc/35/12/39/211351239.db2.gz GCEVUISTTAMAGY-KNBMTAEXSA-N 0 3 344.405 3.480 40 0 EGABHN Cc1ccccc1C1(O)CCN(C[C@H](O)c2ccc(F)cc2)CC1 ZINC000012327774 211348884 /nfs/dbraw/zinc/34/88/84/211348884.db2.gz VKBSLWNCHMXRLL-IBGZPJMESA-N 0 3 329.415 3.151 40 0 EGABHN O[C@@H](CN1CCC(O)(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000012292414 211335795 /nfs/dbraw/zinc/33/57/95/211335795.db2.gz PUWDTYNUXRVIEL-SFHVURJKSA-N 0 3 349.833 3.496 40 0 EGABHN COc1cccc([C@H](O)CN2CCC(O)(c3cccc(C)c3)CC2)c1 ZINC000012292546 211334984 /nfs/dbraw/zinc/33/49/84/211334984.db2.gz YVKUUAXJNSGHPW-HXUWFJFHSA-N 0 3 341.451 3.021 40 0 EGABHN CNC(=O)[C@H]1CCCN(Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000093360992 218217993 /nfs/dbraw/zinc/21/79/93/218217993.db2.gz ZYJPSCMWBXADAW-KRWDZBQOSA-N 0 3 339.439 3.140 40 0 EGABHN C[C@@H](C[C@H](O)c1ccc(F)cc1)NCc1nc2ccccc2n1C ZINC000095448861 218392614 /nfs/dbraw/zinc/39/26/14/218392614.db2.gz CYNFPYSBPXAGLL-UGSOOPFHSA-N 0 3 327.403 3.314 40 0 EGABHN O=C1C[C@H](c2ccccc2)C2(CCN(Cc3ccsc3)CC2)N1 ZINC000096061415 218554740 /nfs/dbraw/zinc/55/47/40/218554740.db2.gz QSMWDTYVAVROMP-QGZVFWFLSA-N 0 3 326.465 3.386 40 0 EGABHN CN1CC[C@@H](CSC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000005047893 210374931 /nfs/dbraw/zinc/37/49/31/210374931.db2.gz WVGFMVMRLGYKNG-MRXNPFEDSA-N 0 3 341.476 3.134 40 0 EGABHN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NCc1ccc(Cl)cn1 ZINC000097379792 219020015 /nfs/dbraw/zinc/02/00/15/219020015.db2.gz JOUJQYFLIIHUSD-KBPBESRZSA-N 0 3 325.840 3.270 40 0 EGABHN OC1(c2cccnc2)[C@@H]2CCC[C@H]1CN(Cc1ccc(F)cc1)C2 ZINC000019338227 285241845 /nfs/dbraw/zinc/24/18/45/285241845.db2.gz LBYKRZHCMRWGKK-UFRUDQCGSA-N 0 3 326.415 3.340 40 0 EGABHN COc1cccc(F)c1[C@H](C)NC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000097234425 323215253 /nfs/dbraw/zinc/21/52/53/323215253.db2.gz GZCPEZKKRYGDDM-DZKIICNBSA-N 0 3 349.450 3.021 40 0 EGABHN CCOc1c(Br)cc(CNC[C@H]2CCCO2)cc1OC ZINC000008253354 453182288 /nfs/dbraw/zinc/18/22/88/453182288.db2.gz DRBGGIZPKMKANQ-GFCCVEGCSA-N 0 3 344.249 3.125 40 0 EGABHN CCCNCc1ccc(-c2ccc(S(=O)(=O)NC(C)C)cc2)o1 ZINC000014160591 453512747 /nfs/dbraw/zinc/51/27/47/453512747.db2.gz GTLOWHTXQRMHQF-UHFFFAOYSA-N 0 3 336.457 3.133 40 0 EGABHN COC(=O)c1ccc(CN2CCC(Cn3nc(C)cc3C)CC2)cc1 ZINC000075154727 453867052 /nfs/dbraw/zinc/86/70/52/453867052.db2.gz LGZQGWJCYWWVJB-UHFFFAOYSA-N 0 3 341.455 3.199 40 0 EGABHN CCOc1ccccc1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000070928470 454186369 /nfs/dbraw/zinc/18/63/69/454186369.db2.gz GEVYRYMZNNKIIR-UHFFFAOYSA-N 0 3 339.439 3.127 40 0 EGABHN O=C1N(c2ccsc2)CC[C@@]12CCCN(Cc1cccnc1)C2 ZINC000096048749 454271555 /nfs/dbraw/zinc/27/15/55/454271555.db2.gz MGMOLEYSAQIFTR-GOSISDBHSA-N 0 3 327.453 3.162 40 0 EGABHN CN(Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1ccoc1)CC2 ZINC000096048001 454271852 /nfs/dbraw/zinc/27/18/52/454271852.db2.gz RHNJGEROFFUWCM-KRWDZBQOSA-N 0 3 330.428 3.128 40 0 EGABHN Cc1cccc(CN2CC[C@@]3(CCN(Cc4ccccn4)C3)C2=O)c1 ZINC000096050576 454273071 /nfs/dbraw/zinc/27/30/71/454273071.db2.gz SCSSOVHZBFPJDL-OAQYLSRUSA-N 0 3 335.451 3.015 40 0 EGABHN Fc1cccc(O[C@H]2C[C@@H]3CN(Cc4ccsc4)CCN3C2)c1 ZINC000096055141 454273884 /nfs/dbraw/zinc/27/38/84/454273884.db2.gz AYIWWODBHTWUJB-AEFFLSMTSA-N 0 3 332.444 3.225 40 0 EGABHN COc1ccc(CN2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)cc1 ZINC000096056415 454274892 /nfs/dbraw/zinc/27/48/92/454274892.db2.gz SAZQXFPKJIYTPJ-VAMGGRTRSA-N 0 3 331.456 3.244 40 0 EGABHN Cc1ccc(CN2CCC3(CCN(Cc4cccnc4)C3=O)CC2)cc1 ZINC000096157849 454294055 /nfs/dbraw/zinc/29/40/55/454294055.db2.gz AKZLPGACPKFCBM-UHFFFAOYSA-N 0 3 349.478 3.405 40 0 EGABHN Cc1cccc(CN2CCC3(CCN(Cc4cccnc4)CC3)C2=O)c1 ZINC000096157981 454294384 /nfs/dbraw/zinc/29/43/84/454294384.db2.gz DCBHLBWZRKJAPL-UHFFFAOYSA-N 0 3 349.478 3.405 40 0 EGABHN c1csc(CN2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)c1 ZINC000096186790 454299535 /nfs/dbraw/zinc/29/95/35/454299535.db2.gz NUWAYRMGHUSRBV-NEWSRXKRSA-N 0 3 344.480 3.482 40 0 EGABHN Cc1cccc(CN2CCCC[C@@]23CCN(Cc2cccnc2)C3)n1 ZINC000096203148 454302392 /nfs/dbraw/zinc/30/23/92/454302392.db2.gz LQJQOSKRJGBEON-NRFANRHFSA-N 0 3 336.483 3.416 40 0 EGABHN C[C@@H]1CN(Cc2ccncc2)C[C@]12CCN(c1ccsc1)C2=O ZINC000096201771 454302443 /nfs/dbraw/zinc/30/24/43/454302443.db2.gz WZKFCNVGWGBPKW-RDTXWAMCSA-N 0 3 327.453 3.018 40 0 EGABHN Cc1ccc(CN2CCC3(CC2)NC(=O)C[C@@H]3c2ccncc2)cc1C ZINC000096199962 454302987 /nfs/dbraw/zinc/30/29/87/454302987.db2.gz QSBKIRWZSUESBP-HXUWFJFHSA-N 0 3 349.478 3.337 40 0 EGABHN COC[C@@H]1COCCC12CCN(Cc1ccc3ccccc3n1)CC2 ZINC000096208097 454304507 /nfs/dbraw/zinc/30/45/07/454304507.db2.gz JZWORLYPGXORNU-GOSISDBHSA-N 0 3 340.467 3.500 40 0 EGABHN Cc1nc(CN2CC[C@]3(C2)CN(CC2CC2)CCC3(F)F)cs1 ZINC000096239795 454311979 /nfs/dbraw/zinc/31/19/79/454311979.db2.gz DKKBWEQEWQMDDD-MRXNPFEDSA-N 0 3 341.471 3.395 40 0 EGABHN CCc1c(NC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cnn1CC(C)C ZINC000096499597 454371262 /nfs/dbraw/zinc/37/12/62/454371262.db2.gz PXAHANOUXZAAQS-MAUKXSAKSA-N 0 3 347.507 3.050 40 0 EGABHN CN(C(=O)CCc1cccnc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074447094 454583520 /nfs/dbraw/zinc/58/35/20/454583520.db2.gz PQVVYAATHVRXTE-FQEVSTJZSA-N 0 3 337.467 3.137 40 0 EGABHN Cc1cccnc1CN1CCC2(CC(NC(=O)c3ccco3)C2)CC1 ZINC000108527371 454801371 /nfs/dbraw/zinc/80/13/71/454801371.db2.gz IEMDEWSREBZDBG-UHFFFAOYSA-N 0 3 339.439 3.158 40 0 EGABHN c1cc(CN2CCC3(CC2)C[C@@H](Nc2ncccn2)CCO3)cs1 ZINC000108531929 454801753 /nfs/dbraw/zinc/80/17/53/454801753.db2.gz HJWNDZNCPNYBBB-INIZCTEOSA-N 0 3 344.484 3.164 40 0 EGABHN CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000156236046 455096543 /nfs/dbraw/zinc/09/65/43/455096543.db2.gz BQUCNHQTMATTHC-CQSZACIVSA-N 0 3 347.488 3.048 40 0 EGABHN CC(C)c1n[nH]cc1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000189287290 455170561 /nfs/dbraw/zinc/17/05/61/455170561.db2.gz QATKJAPQOYPNDM-UHFFFAOYSA-N 0 3 346.500 3.237 40 0 EGABHN FC(F)(F)c1[nH]c2ncccc2c1CN1CCN2CCCC[C@H]2C1 ZINC000247641517 455632602 /nfs/dbraw/zinc/63/26/02/455632602.db2.gz HSECZTVICRJWBE-LBPRGKRZSA-N 0 3 338.377 3.252 40 0 EGABHN COC(=O)c1c(C2CC2)csc1NC(=O)C1CCN(C2CC2)CC1 ZINC000192692235 455669385 /nfs/dbraw/zinc/66/93/85/455669385.db2.gz UKQXTEXBIQYWJY-UHFFFAOYSA-N 0 3 348.468 3.225 40 0 EGABHN COc1ccc([C@@H]2[C@H](CNC(=O)C3(SC)CC3)CCCN2C)cc1 ZINC000252499959 455815259 /nfs/dbraw/zinc/81/52/59/455815259.db2.gz SJZJRTORYXMECC-DOTOQJQBSA-N 0 3 348.512 3.090 40 0 EGABHN Cc1cn[nH]c1[C@H]1CCCCN1C(=O)CCn1ccnc1C(C)C ZINC000257289685 455883564 /nfs/dbraw/zinc/88/35/64/455883564.db2.gz PZUNOOAWFGUCDD-OAHLLOKOSA-N 0 3 329.448 3.182 40 0 EGABHN Cc1cn(C)c([C@@H]2CCN(Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257295543 455885114 /nfs/dbraw/zinc/88/51/14/455885114.db2.gz QYTUMFOKOXCJPO-CYBMUJFWSA-N 0 3 327.457 3.170 40 0 EGABHN CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)COc1ccccc1F ZINC000257327084 455891582 /nfs/dbraw/zinc/89/15/82/455891582.db2.gz WZWHSOSKLSRVRM-XBQLCILLSA-N 0 3 346.446 3.068 40 0 EGABHN CC(=O)Nc1cc(CCC2CCN(Cc3cccnc3)CC2)ccn1 ZINC000257323854 455892032 /nfs/dbraw/zinc/89/20/32/455892032.db2.gz WMBYXSKZXRSQJM-UHFFFAOYSA-N 0 3 338.455 3.280 40 0 EGABHN Cc1cn(C)c([C@@H]2CCCN(Cc3c(C)nc4sccn34)C2)n1 ZINC000257338629 455895317 /nfs/dbraw/zinc/89/53/17/455895317.db2.gz YYGIHTFJUOCLIZ-CQSZACIVSA-N 0 3 329.473 3.126 40 0 EGABHN CC1(C)[C@@H]2C[C@H]1C(COC[C@@H](O)CN1CCc3ccccc3C1)=CC2 ZINC000195541517 455982818 /nfs/dbraw/zinc/98/28/18/455982818.db2.gz DCHBVYQEDRWVSH-ACRUOGEOSA-N 0 3 341.495 3.415 40 0 EGABHN CCCO[C@@](C)(C(=O)Nc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000225671625 456103020 /nfs/dbraw/zinc/10/30/20/456103020.db2.gz KFJRXMMBYQXRCW-LJQANCHMSA-N 0 3 334.460 3.161 40 0 EGABHN Cc1nc(Cc2nc(-c3cccc(OCCN(C)C)c3)no2)cs1 ZINC000390833709 457446339 /nfs/dbraw/zinc/44/63/39/457446339.db2.gz LUCXDXGBKBZNAI-UHFFFAOYSA-N 0 3 344.440 3.033 40 0 EGABHN O=C(NC1CC2(C1)CCN(Cc1ccccn1)CC2)OC1CCCC1 ZINC000585103306 459824215 /nfs/dbraw/zinc/82/42/15/459824215.db2.gz ODNUUPXWMOWUCB-UHFFFAOYSA-N 0 3 343.471 3.495 40 0 EGABHN COc1ccccc1N1CCC(NCc2cccc(F)c2N)CC1 ZINC000585140519 459829044 /nfs/dbraw/zinc/82/90/44/459829044.db2.gz GIBRJGNOLDOXEJ-UHFFFAOYSA-N 0 3 329.419 3.175 40 0 EGABHN CN1C[C@@H](CNC(=O)Nc2cccc(F)c2)[C@H](c2cccs2)C1 ZINC000230134429 536484935 /nfs/dbraw/zinc/48/49/35/536484935.db2.gz FVTHARXFFOEOLI-IUODEOHRSA-N 0 3 333.432 3.354 40 0 EGABHN CCN1CCC[C@@H]1CN(Cc1cccs1)Cc1cnn(C)c1C ZINC000036741271 213115623 /nfs/dbraw/zinc/11/56/23/213115623.db2.gz FPWHNWCNJXNMLH-QGZVFWFLSA-N 0 3 332.517 3.277 40 0 EGABHN Cc1sc2c([C@H]3CCCN(Cc4cnn(C)c4)C3)nc(C)n2c1C ZINC000072351266 216161556 /nfs/dbraw/zinc/16/15/56/216161556.db2.gz KQNVVLPPBRSSGB-INIZCTEOSA-N 0 3 343.500 3.434 40 0 EGABHN O[C@]1(CNCc2cc(Br)c(Cl)s2)CCSC1 ZINC000191274123 239006257 /nfs/dbraw/zinc/00/62/57/239006257.db2.gz ZQUYENPNLGXSHE-JTQLQIEISA-N 0 3 342.711 3.122 40 0 EGABHN CC(=O)NCc1cccc([C@H]2CCCN2Cc2sccc2C)n1 ZINC000257235512 244225193 /nfs/dbraw/zinc/22/51/93/244225193.db2.gz GYDYUOCRZIRACF-QGZVFWFLSA-N 0 3 329.469 3.425 40 0 EGABHN CO[C@@H]1CCCOC12CCN(Cc1ccnc3ccccc13)CC2 ZINC000257253551 244275759 /nfs/dbraw/zinc/27/57/59/244275759.db2.gz JZIXNZZRZCFNGK-LJQANCHMSA-N 0 3 326.440 3.395 40 0 EGABHN Cn1cc(CN2CCC[C@@H](c3ccnc(Nc4ccccn4)c3)C2)cn1 ZINC000257255974 244282255 /nfs/dbraw/zinc/28/22/55/244282255.db2.gz KJPXOVFGRBSBIP-GOSISDBHSA-N 0 3 348.454 3.333 40 0 EGABHN CCn1nc(C)c(-c2cncn2Cc2ccccc2CN(C)C)c1C ZINC000019719568 212056561 /nfs/dbraw/zinc/05/65/61/212056561.db2.gz DLMSYNWPKLAPFF-UHFFFAOYSA-N 0 3 337.471 3.493 40 0 EGABHN CN1CCN(CC2CC2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019589673 212049361 /nfs/dbraw/zinc/04/93/61/212049361.db2.gz IBBCURJMQVBINK-HXUWFJFHSA-N 0 3 349.478 3.091 40 0 EGABHN CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@]12Cc1ccccc1C2=O ZINC000019530468 212039220 /nfs/dbraw/zinc/03/92/20/212039220.db2.gz WWALFQLIWFZCOO-UGKGYDQZSA-N 0 3 349.430 3.107 40 0 EGABHN COc1cccc(CNCCc2cc(F)cc3c2OCOC3)c1OC ZINC000078552789 217074121 /nfs/dbraw/zinc/07/41/21/217074121.db2.gz YHFWOAROMDQYSN-UHFFFAOYSA-N 0 3 347.386 3.042 40 0 EGABHN CC(C(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000079351981 217212813 /nfs/dbraw/zinc/21/28/13/217212813.db2.gz VSHIOCBZVJAMIH-BBRMVZONSA-N 0 3 337.485 3.081 40 0 EGABHN CCn1cncc1CN(CCCn1ccnc1)C[C@H]1CC=CCC1 ZINC000012116597 211295967 /nfs/dbraw/zinc/29/59/67/211295967.db2.gz KNPBYXYUUBXCAW-SFHVURJKSA-N 0 3 327.476 3.348 40 0 EGABHN COc1cc(C)c([C@H](C)N[C@H]2CCCN(C(C)C)C2=O)cc1OC ZINC000096449374 218832078 /nfs/dbraw/zinc/83/20/78/218832078.db2.gz JEVSAHRPPAVZMP-HOCLYGCPSA-N 0 3 334.460 3.062 40 0 EGABHN Cc1ccsc1CN1CCC2(CC1)Nc1ccccc1C(=O)N2 ZINC000013566601 281504673 /nfs/dbraw/zinc/50/46/73/281504673.db2.gz KXQLZJZUEAADFO-UHFFFAOYSA-N 0 3 327.453 3.204 40 0 EGABHN Cc1cccc([C@@H]2CN(Cc3ccccc3)C[C@]23CCCCC(=O)N3)n1 ZINC000019236388 302028137 /nfs/dbraw/zinc/02/81/37/302028137.db2.gz PBOMTKLBHCYHIV-SIKLNZKXSA-N 0 3 349.478 3.418 40 0 EGABHN CN(C)[C@@H](CNC(=O)c1nc2ccccc2s1)c1ccccc1 ZINC000003260616 452753848 /nfs/dbraw/zinc/75/38/48/452753848.db2.gz QPZVOLNOWZGVHB-HNNXBMFYSA-N 0 3 325.437 3.329 40 0 EGABHN Cc1cc([C@H]2NC(=N)Nc3nc4ccccc4n32)c(C)n1CC(C)C ZINC000007030636 453019790 /nfs/dbraw/zinc/01/97/90/453019790.db2.gz ZVODNCITGSFBRQ-KRWDZBQOSA-N 0 3 336.443 3.207 40 0 EGABHN O[C@H](CO[C@@H]1CCCc2ccccc21)CN1CCc2ccccc2C1 ZINC000014138615 453510694 /nfs/dbraw/zinc/51/06/94/453510694.db2.gz TVLVXPUNKAWTML-RBBKRZOGSA-N 0 3 337.463 3.500 40 0 EGABHN Cc1ccccc1N1CCN(C[C@H](O)c2cn(C)c3ccccc23)CC1 ZINC000019237307 453655190 /nfs/dbraw/zinc/65/51/90/453655190.db2.gz ROPKIKISKPFWKN-QFIPXVFZSA-N 0 3 349.478 3.342 40 0 EGABHN Fc1ccccc1CN1C[C@H]2CCc3nnc(-c4ccncc4)n3[C@H]2C1 ZINC000019349481 453656458 /nfs/dbraw/zinc/65/64/58/453656458.db2.gz GKYZCUXWSKLIEV-AEFFLSMTSA-N 0 3 349.413 3.099 40 0 EGABHN CCOc1ccc(CN2CCCC[C@@H]3[C@H]2CCN3C(C)=O)cc1OC ZINC000019712528 453658530 /nfs/dbraw/zinc/65/85/30/453658530.db2.gz YDVOZUVNVDRATQ-QZTJIDSGSA-N 0 3 346.471 3.069 40 0 EGABHN COc1ccc(OC[C@H](O)CN2CCC(C)CC2)c(C(C)(C)C)c1 ZINC000026781132 453805594 /nfs/dbraw/zinc/80/55/94/453805594.db2.gz HAXDXPSLJFTLMP-MRXNPFEDSA-N 0 3 335.488 3.464 40 0 EGABHN CC(=O)NC1CCN(c2cc(C)nc3ccc(OC(F)F)cc32)CC1 ZINC000077214176 454076455 /nfs/dbraw/zinc/07/64/55/454076455.db2.gz BNQZAIIQOCCAHQ-UHFFFAOYSA-N 0 3 349.381 3.250 40 0 EGABHN Cn1cc(CN2CCOC[C@H](Oc3ccccc3)C2)c2ccccc21 ZINC000077265843 454082692 /nfs/dbraw/zinc/08/26/92/454082692.db2.gz XQASVHXFWTYIIG-LJQANCHMSA-N 0 3 336.435 3.458 40 0 biogenic,in-vitro EGABHN Cc1ccc(NC(=O)CCN[C@H](CC(C)C)c2ccccn2)nc1 ZINC000095422397 454208481 /nfs/dbraw/zinc/20/84/81/454208481.db2.gz QNNIEOZOFRCDLM-QGZVFWFLSA-N 0 3 326.444 3.491 40 0 EGABHN CCOc1cc([C@@H](N)c2n[nH]c(-c3ccccc3C)n2)ccc1OC ZINC000095534431 454229972 /nfs/dbraw/zinc/22/99/72/454229972.db2.gz NVZNFYUFWKCBIS-QGZVFWFLSA-N 0 3 338.411 3.236 40 0 EGABHN Cc1ccc(CN2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)o1 ZINC000096047889 454271884 /nfs/dbraw/zinc/27/18/84/454271884.db2.gz CVXVAUSABMBETP-GOSISDBHSA-N 0 3 328.412 3.186 40 0 EGABHN Cc1cccc(CN2CC[C@]3(CCN(Cc4ccccn4)C3)C2=O)c1 ZINC000096050575 454272913 /nfs/dbraw/zinc/27/29/13/454272913.db2.gz SCSSOVHZBFPJDL-NRFANRHFSA-N 0 3 335.451 3.015 40 0 EGABHN O=C1N(Cc2cccc(F)c2)CC[C@]12CCN(Cc1ccco1)C2 ZINC000096050609 454272923 /nfs/dbraw/zinc/27/29/23/454272923.db2.gz UEFDSVFJEHKYKE-IBGZPJMESA-N 0 3 328.387 3.043 40 0 EGABHN CN(Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1cccn1C)CC2 ZINC000096051582 454273159 /nfs/dbraw/zinc/27/31/59/454273159.db2.gz IDZPPPUTSFYHGV-SFHVURJKSA-N 0 3 341.455 3.135 40 0 EGABHN CN1CCN(c2ncccc2[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000072216572 454274101 /nfs/dbraw/zinc/27/41/01/454274101.db2.gz BYMDSLYMXAZQPL-HXUWFJFHSA-N 0 3 336.483 3.171 40 0 EGABHN Cc1cccc(CO[C@@H]2COC3(C2)CCN(Cc2ccoc2)CC3)n1 ZINC000096106803 454284648 /nfs/dbraw/zinc/28/46/48/454284648.db2.gz GWVRYVUPPCFLGV-IBGZPJMESA-N 0 3 342.439 3.323 40 0 EGABHN c1cc(CN2CCC3(CCOC[C@H]3COCC3CC3)CC2)ccn1 ZINC000096106463 454284897 /nfs/dbraw/zinc/28/48/97/454284897.db2.gz GKVLJWACTHVGQI-IBGZPJMESA-N 0 3 330.472 3.127 40 0 EGABHN Fc1cccnc1O[C@H]1COC2(C1)CCN(Cc1ccsc1)CC2 ZINC000096107026 454284945 /nfs/dbraw/zinc/28/49/45/454284945.db2.gz ZOHCKPSPJFGWRO-OAHLLOKOSA-N 0 3 348.443 3.485 40 0 EGABHN Cc1nc(COC[C@@]23CCO[C@@H]2CCN(Cc2ccoc2)C3)cs1 ZINC000096206814 454303796 /nfs/dbraw/zinc/30/37/96/454303796.db2.gz FBRWSABEGRWQBD-MSOLQXFVSA-N 0 3 348.468 3.242 40 0 EGABHN CN1CCC[C@]2(CCN(C(=O)c3cccc(C(F)(F)F)c3)C2)C1 ZINC000096268568 454314630 /nfs/dbraw/zinc/31/46/30/454314630.db2.gz UTYAWJRGYFHCBP-INIZCTEOSA-N 0 3 326.362 3.263 40 0 EGABHN COCCN1CCC(c2nc3ccc(-c4ccsc4)cn3n2)CC1 ZINC000096260718 454314930 /nfs/dbraw/zinc/31/49/30/454314930.db2.gz HICRYFAUAHPFAZ-UHFFFAOYSA-N 0 3 342.468 3.284 40 0 EGABHN CCn1cc(NC(=O)NCC(C)(C)N[C@H](C)c2ccccc2)cn1 ZINC000096403998 454322547 /nfs/dbraw/zinc/32/25/47/454322547.db2.gz YAINFJHKIWUDKJ-CQSZACIVSA-N 0 3 329.448 3.154 40 0 EGABHN O=C([C@@H]1C[C@@H]1c1cccnc1)N(CCN1CCCC1)c1ccccc1 ZINC000096416797 454332663 /nfs/dbraw/zinc/33/26/63/454332663.db2.gz AUURWOZHATUEAA-WOJBJXKFSA-N 0 3 335.451 3.314 40 0 EGABHN CCN(CC)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c([O-])c1 ZINC000090686067 454335535 /nfs/dbraw/zinc/33/55/35/454335535.db2.gz YROCVBBXKXSISH-CRAIPNDOSA-N 0 3 347.503 3.041 40 0 EGABHN CCN(CC)c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c([O-])c1 ZINC000090686067 454335539 /nfs/dbraw/zinc/33/55/39/454335539.db2.gz YROCVBBXKXSISH-CRAIPNDOSA-N 0 3 347.503 3.041 40 0 EGABHN CCc1ccc(C(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)o1 ZINC000096432955 454343716 /nfs/dbraw/zinc/34/37/16/454343716.db2.gz AZVYVHZIFMTEEM-KRWDZBQOSA-N 0 3 326.440 3.436 40 0 EGABHN Cc1ccc(-c2nc(CNC3CCC4(CC3)OCCO4)co2)cc1 ZINC000096450085 454355351 /nfs/dbraw/zinc/35/53/51/454355351.db2.gz MKZZLJXRTZEPLX-UHFFFAOYSA-N 0 3 328.412 3.425 40 0 EGABHN C[C@H](CN[C@@H]1CCCC[C@@H]1S(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000096491676 454368239 /nfs/dbraw/zinc/36/82/39/454368239.db2.gz IDJKISDLUCAMFQ-LYRGGWFBSA-N 0 3 331.428 3.014 40 0 EGABHN Cc1cc(C[C@@H](C)NCc2c(C)nn(C)c2C)n(-c2ccccc2)n1 ZINC000091064239 454375356 /nfs/dbraw/zinc/37/53/56/454375356.db2.gz HWOPYYPXBDDKHL-CQSZACIVSA-N 0 3 337.471 3.252 40 0 EGABHN CCN1CCC[C@H]1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000048309713 454471647 /nfs/dbraw/zinc/47/16/47/454471647.db2.gz ADKQBIMUXYEMLN-YPMHNXCESA-N 0 3 345.270 3.361 40 0 EGABHN c1ccc(OCC2CC2)c(CN2CCC(CN3CCOCC3)CC2)c1 ZINC000134118470 454505236 /nfs/dbraw/zinc/50/52/36/454505236.db2.gz HODGFCVNVJRSCZ-UHFFFAOYSA-N 0 3 344.499 3.020 40 0 EGABHN Cc1ccc(CN2CCC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)s1 ZINC000107730866 454771699 /nfs/dbraw/zinc/77/16/99/454771699.db2.gz FUAIWKUUBZCLAW-CRAIPNDOSA-N 0 3 344.484 3.082 40 0 EGABHN Cn1ccnc1[C@@H](N[C@@H]1CCN(c2ccc(F)cc2F)C1)C1CC1 ZINC000127672424 454987148 /nfs/dbraw/zinc/98/71/48/454987148.db2.gz HODWCJCACDMFBW-PBHICJAKSA-N 0 3 332.398 3.018 40 0 EGABHN CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000156236156 455096522 /nfs/dbraw/zinc/09/65/22/455096522.db2.gz BQUCNHQTMATTHC-AWEZNQCLSA-N 0 3 347.488 3.048 40 0 EGABHN Cc1cccc(C)c1OCC(=O)N1CCC[C@@H]2N(C)CCC[C@@]21C ZINC000257285196 455882668 /nfs/dbraw/zinc/88/26/68/455882668.db2.gz PGBNJXOBWALZLH-PXNSSMCTSA-N 0 3 330.472 3.158 40 0 EGABHN CCCCc1ncc(CN2CCC(c3ccnc4ccnn43)CC2)[nH]1 ZINC000257304967 455886529 /nfs/dbraw/zinc/88/65/29/455886529.db2.gz SNXGQDAOVXCPBR-UHFFFAOYSA-N 0 3 338.459 3.175 40 0 EGABHN Cc1cc(C)n2ncc(CN3CCC[C@@H](Cc4ccccn4)C3)c2n1 ZINC000257305095 455886939 /nfs/dbraw/zinc/88/69/39/455886939.db2.gz SOKROGMFSGKATC-KRWDZBQOSA-N 0 3 335.455 3.196 40 0 EGABHN Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(Cc3cnccn3)C2)n1 ZINC000257315820 455890941 /nfs/dbraw/zinc/89/09/41/455890941.db2.gz VCXFDIXJURHUBE-INIZCTEOSA-N 0 3 349.438 3.208 40 0 EGABHN Cc1noc(C)c1-c1cccc(C2CCN(Cc3cnc[nH]3)CC2)n1 ZINC000257324899 455892383 /nfs/dbraw/zinc/89/23/83/455892383.db2.gz WQQVOCNAZQQPEF-UHFFFAOYSA-N 0 3 337.427 3.456 40 0 EGABHN CNc1ncccc1CN1C[C@@H]2[C@H](Oc3cccnc3C)CC[C@@H]2C1 ZINC000257343221 455896354 /nfs/dbraw/zinc/89/63/54/455896354.db2.gz ZRYRNJFOSAQWJP-HHXXYDBFSA-N 0 3 338.455 3.116 40 0 EGABHN CN1CCN(C)c2cc(NC(=O)C3CCC(F)(F)CC3)ccc2C1 ZINC000195579308 455988736 /nfs/dbraw/zinc/98/87/36/455988736.db2.gz JQEYQAYBEPSFCJ-UHFFFAOYSA-N 0 3 337.414 3.332 40 0 EGABHN CCSc1nnc(NC(=O)c2ccc(CN3CCCC3)cc2)s1 ZINC000223549838 456058983 /nfs/dbraw/zinc/05/89/83/456058983.db2.gz KWYDCBHWXYXXKH-UHFFFAOYSA-N 0 3 348.497 3.498 40 0 EGABHN CN1CC[C@H](COCc2ccncc2)CC12CN(CC1CCCC1)C2 ZINC000585103623 459824312 /nfs/dbraw/zinc/82/43/12/459824312.db2.gz YLXMRHRRDQQHTL-FQEVSTJZSA-N 0 3 343.515 3.185 40 0 EGABHN CCOCC[C@H]1CCOC12CCN(Cc1cccc(OC)c1)CC2 ZINC000585104699 459825266 /nfs/dbraw/zinc/82/52/66/459825266.db2.gz LFSUBKBXEPCPDH-SFHVURJKSA-N 0 3 333.472 3.493 40 0 EGABHN COc1ccc(CN[C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)cc1 ZINC000585288786 459833771 /nfs/dbraw/zinc/83/37/71/459833771.db2.gz JDIIAAOOIHLKQO-XUVXKRRUSA-N 0 3 345.414 3.285 40 0 EGABHN O=C(c1cc2ccccc2o1)N1CCCN(C2CCSCC2)CC1 ZINC000575605364 459979980 /nfs/dbraw/zinc/97/99/80/459979980.db2.gz DRGXTHOKHBJNKN-UHFFFAOYSA-N 0 3 344.480 3.476 40 0 EGABHN COC(=O)c1ccccc1-c1ccc(CNC2(C)CCOCC2)o1 ZINC000152793015 534286105 /nfs/dbraw/zinc/28/61/05/534286105.db2.gz GTEUMVKSIACGDS-UHFFFAOYSA-N 0 3 329.396 3.392 40 0 EGABHN CC(=O)Nc1cc(CCC2CCN(Cc3ccccn3)CC2)ccn1 ZINC000257233807 534694089 /nfs/dbraw/zinc/69/40/89/534694089.db2.gz GQUOXQCOMBAEAX-UHFFFAOYSA-N 0 3 338.455 3.280 40 0 EGABHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1nnc(C2CCCCC2)o1 ZINC000036652098 213106992 /nfs/dbraw/zinc/10/69/92/213106992.db2.gz UIRLZVUAIUTUEV-IAQYHMDHSA-N 0 3 343.383 3.284 40 0 EGABHN Fc1ccc(CN2CCC[C@@H](c3nccnc3-n3ccnc3)C2)cc1 ZINC000072350501 216162400 /nfs/dbraw/zinc/16/24/00/216162400.db2.gz XVUSYDGHMPNZFY-MRXNPFEDSA-N 0 3 337.402 3.181 40 0 EGABHN O=C(COc1ccccc1)NCC1CCN(Cc2cccs2)CC1 ZINC000023128045 212352756 /nfs/dbraw/zinc/35/27/56/212352756.db2.gz ACGBQNVPSNLSIO-UHFFFAOYSA-N 0 3 344.480 3.155 40 0 EGABHN Cn1cc(CN2CCC[C@H](c3ccnc(Nc4ccccn4)c3)C2)cn1 ZINC000257255975 244282522 /nfs/dbraw/zinc/28/25/22/244282522.db2.gz KJPXOVFGRBSBIP-SFHVURJKSA-N 0 3 348.454 3.333 40 0 EGABHN C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccc(-c2ccccc2Cl)o1 ZINC000019575274 212045829 /nfs/dbraw/zinc/04/58/29/212045829.db2.gz XNIGATOWDBZRCB-QLFBSQMISA-N 0 3 346.858 3.239 40 0 EGABHN COc1ccc(OC)c(CN2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000019359422 212021477 /nfs/dbraw/zinc/02/14/77/212021477.db2.gz AJFSFBSOIUMROK-FRQCXROJSA-N 0 3 330.472 3.010 40 0 EGABHN CCOc1c(OC)cc(CNC[C@@H](O)c2ccccc2F)cc1OC ZINC000078394137 217047044 /nfs/dbraw/zinc/04/70/44/217047044.db2.gz YRWBVQHRYOTQLP-MRXNPFEDSA-N 0 3 349.402 3.065 40 0 EGABHN C[C@H](NC1(CNC(=O)C[C@H]2C=CCC2)CCOCC1)c1ccccc1 ZINC000079096330 217191721 /nfs/dbraw/zinc/19/17/21/217191721.db2.gz PJPQVPKDPGKLEJ-ROUUACIJSA-N 0 3 342.483 3.359 40 0 EGABHN CN(C(=O)CCc1ccccn1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000080504341 217310591 /nfs/dbraw/zinc/31/05/91/217310591.db2.gz WFSGJFLJXMFTRS-HXUWFJFHSA-N 0 3 337.467 3.137 40 0 EGABHN C[C@H]1Cc2cc([C@@H](O)CN3CCCC3)ccc2N1C(=O)C(C)(C)C ZINC000012181142 211310968 /nfs/dbraw/zinc/31/09/68/211310968.db2.gz WTNACWRXGAWWKC-KSSFIOAISA-N 0 3 330.472 3.140 40 0 EGABHN COc1ccc([C@@H]2CN(Cc3ccccn3)C[C@H]2c2cc[nH]n2)cc1 ZINC000012128566 211299557 /nfs/dbraw/zinc/29/95/57/211299557.db2.gz KFOLDJXAPYCOIP-RBUKOAKNSA-N 0 3 334.423 3.197 40 0 EGABHN COC[C@H]1CCCN(Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000093337331 218215900 /nfs/dbraw/zinc/21/59/00/218215900.db2.gz LVCAMNIOPOWGCM-IBGZPJMESA-N 0 3 327.472 3.407 40 0 EGABHN CN(C)[C@@H]1CCN(C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000191736658 273808007 /nfs/dbraw/zinc/80/80/07/273808007.db2.gz YDFXWGSSGACZSS-SECBINFHSA-N 0 3 346.656 3.270 40 0 EGABHN O[C@H](CN1CCC[C@](O)(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000072343226 275057015 /nfs/dbraw/zinc/05/70/15/275057015.db2.gz FEYIPQUQFKKAGF-WOJBJXKFSA-N 0 3 347.405 3.372 40 0 EGABHN c1coc(CN2CCC3(CCOC[C@H]3COc3cccnc3)CC2)c1 ZINC000096209748 275074528 /nfs/dbraw/zinc/07/45/28/275074528.db2.gz YNLJJVLBSOLIHN-KRWDZBQOSA-N 0 3 342.439 3.372 40 0 EGABHN CN1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCCCN2C(=O)c1ccno1 ZINC000257221376 277195459 /nfs/dbraw/zinc/19/54/59/277195459.db2.gz DOTYYYTYBWLKNB-LNLFQRSKSA-N 0 3 339.439 3.157 40 0 EGABHN CC(C)C[C@@H](c1nnnn1C(C)(C)C)N1CCN(C2CCCC2)CC1 ZINC000019446783 279004062 /nfs/dbraw/zinc/00/40/62/279004062.db2.gz AAVRWCVQVQLUQE-KRWDZBQOSA-N 0 3 348.539 3.076 40 0 EGABHN Cc1cc2nc([C@H]3CCCN(Cc4ccccc4F)C3)cc(N)n2n1 ZINC000019129325 453654521 /nfs/dbraw/zinc/65/45/21/453654521.db2.gz BLVQRZJTILOHOJ-HNNXBMFYSA-N 0 3 339.418 3.139 40 0 EGABHN O=C1NC[C@H](C2CCN(Cc3ccccc3)CC2)Oc2ccccc21 ZINC000019371816 453655961 /nfs/dbraw/zinc/65/59/61/453655961.db2.gz QEOHEOJPIUWENK-HXUWFJFHSA-N 0 3 336.435 3.090 40 0 EGABHN COc1cccc(NCc2n[nH]c([C@@H](N)c3ccc(Cl)cc3)n2)c1 ZINC000095533979 454230803 /nfs/dbraw/zinc/23/08/03/454230803.db2.gz CLRXRFBUEBUBQG-INIZCTEOSA-N 0 3 343.818 3.127 40 0 EGABHN COC[C@@]12CCCO[C@H]1CCN(Cc1ccc3ccccc3n1)C2 ZINC000096039142 454265446 /nfs/dbraw/zinc/26/54/46/454265446.db2.gz CIKOGMGUTKCFOG-PMACEKPBSA-N 0 3 326.440 3.252 40 0 EGABHN Fc1ccc(CN2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)cc1 ZINC000096047891 454271262 /nfs/dbraw/zinc/27/12/62/454271262.db2.gz KNRVYPCAAPOWGO-IBGZPJMESA-N 0 3 342.414 3.423 40 0 EGABHN O=C1N(Cc2cccc(F)c2)CC[C@@]12CCN(Cc1ccoc1)C2 ZINC000096050614 454272846 /nfs/dbraw/zinc/27/28/46/454272846.db2.gz KLQBEMKVNCVWMV-LJQANCHMSA-N 0 3 328.387 3.043 40 0 EGABHN CN(Cc1ccco1)[C@@H]1CCC12CCN(C(=O)N1CCCC1)CC2 ZINC000096051608 454272884 /nfs/dbraw/zinc/27/28/84/454272884.db2.gz OPKYCPYQTSFPOR-QGZVFWFLSA-N 0 3 331.460 3.172 40 0 EGABHN CN1CC[C@@]2(c3ccccc3)CCN(C(=O)c3ccsc3)C[C@H]12 ZINC000096058429 454277022 /nfs/dbraw/zinc/27/70/22/454277022.db2.gz XYEYHYGWKWWJAF-HKUYNNGSSA-N 0 3 326.465 3.236 40 0 EGABHN Cc1noc(C)c1CN1CC[C@]2(CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC000096077396 454279671 /nfs/dbraw/zinc/27/96/71/454279671.db2.gz ARYFIXFPDLVYBQ-FQEVSTJZSA-N 0 3 339.439 3.229 40 0 EGABHN Cc1noc(C)c1CN1CCC2(CCOC[C@@H]2COCC2CC2)CC1 ZINC000096106460 454284236 /nfs/dbraw/zinc/28/42/36/454284236.db2.gz BKBDEPDOYPNZRN-GOSISDBHSA-N 0 3 348.487 3.337 40 0 EGABHN Cc1ccc(CN2CCC[C@@]3(CCN(C(=O)CC(F)(F)F)C3)C2)o1 ZINC000096215956 454305427 /nfs/dbraw/zinc/30/54/27/454305427.db2.gz YXBWOEGYLBSIFD-MRXNPFEDSA-N 0 3 344.377 3.355 40 0 EGABHN C[C@H](C(=O)NCCCc1nc2c(s1)CCCC2)N1CCCCCC1 ZINC000078725608 454306835 /nfs/dbraw/zinc/30/68/35/454306835.db2.gz DTXVAXANERFMJU-OAHLLOKOSA-N 0 3 349.544 3.335 40 0 EGABHN CCN(C(=O)Cc1cccnc1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000096410051 454328260 /nfs/dbraw/zinc/32/82/60/454328260.db2.gz SFLZGBKELHZEKC-FXAWDEMLSA-N 0 3 337.467 3.308 40 0 EGABHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc(C)n1C ZINC000096441182 454350920 /nfs/dbraw/zinc/35/09/20/454350920.db2.gz YSGRKJFYMWSYFT-IBGZPJMESA-N 0 3 339.483 3.318 40 0 EGABHN CCc1c(NC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cnn1CC(C)C ZINC000096499596 454371015 /nfs/dbraw/zinc/37/10/15/454371015.db2.gz PXAHANOUXZAAQS-QAPCUYQASA-N 0 3 347.507 3.050 40 0 EGABHN CC(C)(C)c1ccc(NC2CCN(CCN3CCOCC3)CC2)cc1 ZINC000096494506 454371116 /nfs/dbraw/zinc/37/11/16/454371116.db2.gz NYCLCUYUFTZEKH-UHFFFAOYSA-N 0 3 345.531 3.193 40 0 EGABHN Cc1n[nH]cc1[C@@H](C)NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000097233874 454428926 /nfs/dbraw/zinc/42/89/26/454428926.db2.gz SEQQJUWCRNUFSG-FZKQIMNGSA-N 0 3 348.878 3.096 40 0 EGABHN c1cnc(Oc2ccc(CN3CC[C@@H](Oc4ccncc4)C3)cc2)cn1 ZINC000093866228 454740856 /nfs/dbraw/zinc/74/08/56/454740856.db2.gz KFTXLPGCJOVMOO-LJQANCHMSA-N 0 3 348.406 3.317 40 0 EGABHN Cc1cc(C)n(C[C@@H](O)CN(Cc2ccco2)C[C@@H]2CC=CCC2)n1 ZINC000247883219 455652389 /nfs/dbraw/zinc/65/23/89/455652389.db2.gz CPLVJSANCGWLTC-MOPGFXCFSA-N 0 3 343.471 3.312 40 0 EGABHN COC[C@H](N[C@H]1CCCN(c2cccnn2)C1)c1ccc(Cl)cc1 ZINC000194102150 455802180 /nfs/dbraw/zinc/80/21/80/455802180.db2.gz XAOWKMCRJGQYNQ-IRXDYDNUSA-N 0 3 346.862 3.076 40 0 EGABHN COc1ccc([C@H]2[C@@H](CNC(=O)C3(SC)CC3)CCCN2C)cc1 ZINC000252499962 455815296 /nfs/dbraw/zinc/81/52/96/455815296.db2.gz SJZJRTORYXMECC-WBVHZDCISA-N 0 3 348.512 3.090 40 0 EGABHN Cc1nccnc1[C@@H](C)NC1CCN(Cc2ccccc2F)CC1 ZINC000252498533 455815419 /nfs/dbraw/zinc/81/54/19/455815419.db2.gz RECHJDNQKBOUMM-OAHLLOKOSA-N 0 3 328.435 3.239 40 0 EGABHN C[C@@H](C[S@@](C)=O)N(C)C1CC(c2ccc(Br)cc2)C1 ZINC000194482732 455848727 /nfs/dbraw/zinc/84/87/27/455848727.db2.gz CJCPVIKUBMXCIW-XXKANDRNSA-N 0 3 344.318 3.394 40 0 EGABHN COc1cccc(-c2c[nH]nc2[C@@H]2CCCN2C2CCOCC2)c1 ZINC000257230960 455880421 /nfs/dbraw/zinc/88/04/21/455880421.db2.gz GEPPEOCXQJQWBV-SFHVURJKSA-N 0 3 327.428 3.401 40 0 EGABHN CN(C)c1nc([C@H]2CCCN(Cc3cccnc3)C2)cn2cccc12 ZINC000257311491 455889353 /nfs/dbraw/zinc/88/93/53/455889353.db2.gz UJSGXYSKAJBFKI-KRWDZBQOSA-N 0 3 335.455 3.175 40 0 EGABHN Cc1ccc(C(=O)N2CCO[C@H](c3cc(N(C)C)cc(C)n3)C2)s1 ZINC000257319414 455890535 /nfs/dbraw/zinc/89/05/35/455890535.db2.gz VSIXVGONBPTASH-INIZCTEOSA-N 0 3 345.468 3.040 40 0 EGABHN C[C@H](NC[C@H]1CC[C@H](C(=O)N(C)C)O1)c1cc2ccccc2s1 ZINC000188302517 456039123 /nfs/dbraw/zinc/03/91/23/456039123.db2.gz SPTMVSHULUINCB-NWANDNLSSA-N 0 3 332.469 3.188 40 0 EGABHN CC[C@H](NCCC(=O)N1CCc2ccccc2C1)c1c(C)noc1C ZINC000189188580 456249488 /nfs/dbraw/zinc/24/94/88/456249488.db2.gz NSAPUGHYSBBBFF-SFHVURJKSA-N 0 3 341.455 3.307 40 0 EGABHN CC(=O)N1CCC[C@H](NCc2ccccn2)[C@@H]1Cc1ccc(C)cc1 ZINC000585286168 459833908 /nfs/dbraw/zinc/83/39/08/459833908.db2.gz OMCCKCWZOSTGOC-SFTDATJTSA-N 0 3 337.467 3.102 40 0 EGABHN Cc1ccc(CC(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)cn1 ZINC000129660462 533752442 /nfs/dbraw/zinc/75/24/42/533752442.db2.gz SWSJASRWIZTGPB-LPHOPBHVSA-N 0 3 343.496 3.193 40 0 EGABHN CCOCCCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038856808 213227989 /nfs/dbraw/zinc/22/79/89/213227989.db2.gz HNDYLGCGNCGTGA-MRXNPFEDSA-N 0 3 338.879 3.095 40 0 EGABHN Cc1ccnc(NC(=O)CCc2cc(C)nc([C@@H]3CCCN3C)c2)c1 ZINC000072366934 216173064 /nfs/dbraw/zinc/17/30/64/216173064.db2.gz ICUSSGWXLYMJLV-SFHVURJKSA-N 0 3 338.455 3.431 40 0 EGABHN c1cncc(Oc2cncc([C@@H]3CCCN(C4CCOCC4)C3)n2)c1 ZINC000072384249 216185922 /nfs/dbraw/zinc/18/59/22/216185922.db2.gz SCDQHDODWAWDEJ-OAHLLOKOSA-N 0 3 340.427 3.022 40 0 EGABHN c1ncc(CN2CCC[C@H](Cc3ccc(NC4CCCC4)nn3)C2)[nH]1 ZINC000072387290 216187199 /nfs/dbraw/zinc/18/71/99/216187199.db2.gz CXHMOZCYDRBMBQ-OAHLLOKOSA-N 0 3 340.475 3.009 40 0 EGABHN Cc1cc(C[C@@H]2COC[C@H]2NCc2ccccc2C(F)(F)F)on1 ZINC000072395119 216193038 /nfs/dbraw/zinc/19/30/38/216193038.db2.gz YPNXTKFERNPQHK-CZUORRHYSA-N 0 3 340.345 3.349 40 0 EGABHN CCOc1ccccc1C(=O)NCC1CCN(Cc2ccco2)CC1 ZINC000023128002 212352319 /nfs/dbraw/zinc/35/23/19/212352319.db2.gz GOQPGDKLXYRFSV-UHFFFAOYSA-N 0 3 342.439 3.320 40 0 EGABHN CCCOc1cc2c(cc1CN(C)CCN1CCCCC1)OCO2 ZINC000022916174 212334735 /nfs/dbraw/zinc/33/47/35/212334735.db2.gz WHUFJRKDXCSOLI-UHFFFAOYSA-N 0 3 334.460 3.122 40 0 EGABHN COc1ccc([C@H](CNC(=O)/C=C/c2cccs2)N(C)C)cc1 ZINC000022414405 212295577 /nfs/dbraw/zinc/29/55/77/212295577.db2.gz PNFYMAIUVAXZND-DVQDXYAYSA-N 0 3 330.453 3.189 40 0 EGABHN Cc1ncc(CN(C)C)c([C@@H]2CCCN2CCc2ccc(F)cc2)n1 ZINC000257215395 244163237 /nfs/dbraw/zinc/16/32/37/244163237.db2.gz CPYFTDCSGHUIJD-IBGZPJMESA-N 0 3 342.462 3.365 40 0 EGABHN Cc1ncsc1CN1CCC[C@H](c2nccnc2-c2ncc[nH]2)C1 ZINC000257222489 244189085 /nfs/dbraw/zinc/18/90/85/244189085.db2.gz DTLWDBDHQUWTSY-ZDUSSCGKSA-N 0 3 340.456 3.011 40 0 EGABHN C[C@]12CCN(Cc3ccccn3)[C@H]1CCC(=O)N2Cc1ccccc1 ZINC000257225658 244198316 /nfs/dbraw/zinc/19/83/16/244198316.db2.gz FHFLJPMIORPBRL-FPOVZHCZSA-N 0 3 335.451 3.237 40 0 EGABHN CN1CCN(CC2CC2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019589674 212048436 /nfs/dbraw/zinc/04/84/36/212048436.db2.gz IBBCURJMQVBINK-FQEVSTJZSA-N 0 3 349.478 3.091 40 0 EGABHN COc1ccc(CN[C@@H]2COC[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000019552543 212040723 /nfs/dbraw/zinc/04/07/23/212040723.db2.gz MYERRLQVWZPRHM-ZWKOTPCHSA-N 0 3 331.387 3.115 40 0 EGABHN O=C1NC[C@@H]([C@H]2CCCN(Cc3ccccc3)C2)Oc2ccccc21 ZINC000019371936 212022605 /nfs/dbraw/zinc/02/26/05/212022605.db2.gz GGNONQJFXASSTJ-PXNSSMCTSA-N 0 3 336.435 3.090 40 0 EGABHN Cc1cnc(-c2nc([C@H]3CCCN(Cc4cccs4)C3)no2)cn1 ZINC000019239035 212008538 /nfs/dbraw/zinc/00/85/38/212008538.db2.gz HOGJHMAFALPUKW-ZDUSSCGKSA-N 0 3 341.440 3.276 40 0 EGABHN C[C@H](NC1(CNC(=O)c2ccsc2)CCOCC1)c1ccccc1 ZINC000079096412 217191768 /nfs/dbraw/zinc/19/17/68/217191768.db2.gz LKQRTQSKMULRMX-HNNXBMFYSA-N 0 3 344.480 3.378 40 0 EGABHN CCO[C@@H]1CCCN(C(=O)c2ccc(CN(CC)C3CC3)cc2)C1 ZINC000079336496 217211017 /nfs/dbraw/zinc/21/10/17/217211017.db2.gz BMRRNBUDNBKPHC-LJQANCHMSA-N 0 3 330.472 3.312 40 0 EGABHN COc1ccc([C@H](O)CN2CCC(O)(c3cccc(C)c3)CC2)cc1 ZINC000012292497 211334711 /nfs/dbraw/zinc/33/47/11/211334711.db2.gz VZCNBHFQKGKKCE-HXUWFJFHSA-N 0 3 341.451 3.021 40 0 EGABHN Cc1nc(-c2cc(C)ccc2C)c(CC(=O)N(C)CCN(C)C)s1 ZINC000012238213 211328841 /nfs/dbraw/zinc/32/88/41/211328841.db2.gz XKKFHIMQPFQLFM-UHFFFAOYSA-N 0 3 345.512 3.298 40 0 EGABHN COc1ccc([C@@H]2CN(Cc3cccnc3)C[C@H]2c2cc[nH]n2)cc1 ZINC000012128528 211298900 /nfs/dbraw/zinc/29/89/00/211298900.db2.gz CKWOIKBUUVANKW-RBUKOAKNSA-N 0 3 334.423 3.197 40 0 EGABHN Fc1ccc(-c2n[nH]cc2CN2CCC(n3cccn3)CC2)cc1 ZINC000092618009 218154333 /nfs/dbraw/zinc/15/43/33/218154333.db2.gz VDOUNGRDRBMGFW-UHFFFAOYSA-N 0 3 325.391 3.249 40 0 EGABHN C[C@H](NC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21)c1cccc(F)c1F ZINC000097234314 219002485 /nfs/dbraw/zinc/00/24/85/219002485.db2.gz HWQMXLNTAGFVEC-XEZPLFJOSA-N 0 3 337.414 3.152 40 0 EGABHN CCN1CCC[C@H]1CN(Cc1cccs1)Cc1cnn(C)c1C ZINC000036741272 285283412 /nfs/dbraw/zinc/28/34/12/285283412.db2.gz FPWHNWCNJXNMLH-KRWDZBQOSA-N 0 3 332.517 3.277 40 0 EGABHN Cc1nc(CCN2CCC[C@@H](c3nnc4n3CCCCC4)C2)cs1 ZINC000119075738 221237511 /nfs/dbraw/zinc/23/75/11/221237511.db2.gz SCWJKNXQVQQECI-OAHLLOKOSA-N 0 3 345.516 3.192 40 0 EGABHN O[C@@]1(CN[C@@H]2CCc3c2c(Br)ccc3F)CCSC1 ZINC000089704425 285345357 /nfs/dbraw/zinc/34/53/57/285345357.db2.gz CSYUPDLWSIWQFL-TZMCWYRMSA-N 0 3 346.265 3.033 40 0 EGABHN CCN(CC)CCOC(=O)[C@](O)(c1ccccc1)[C@H]1C=CCCC1 ZINC000001711000 276099587 /nfs/dbraw/zinc/09/95/87/276099587.db2.gz HECLTPBVEVCPQT-ICSRJNTNSA-N 0 3 331.456 3.116 40 0 EGABHN CN(C)[C@H](CNC(=O)N1CCc2ccc(F)cc21)c1ccccc1 ZINC000060216937 276856263 /nfs/dbraw/zinc/85/62/63/276856263.db2.gz WLRIMZAPDIPRHJ-GOSISDBHSA-N 0 3 327.403 3.201 40 0 EGABHN CCOc1c(Br)cc(CNC[C@@H]2CCCO2)cc1OC ZINC000008253351 453181944 /nfs/dbraw/zinc/18/19/44/453181944.db2.gz DRBGGIZPKMKANQ-LBPRGKRZSA-N 0 3 344.249 3.125 40 0 EGABHN CC1CCN(C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)C2CC2)CC1 ZINC000012240082 453352217 /nfs/dbraw/zinc/35/22/17/453352217.db2.gz DILPZUJYXJCNBA-HXUWFJFHSA-N 0 3 342.483 3.141 40 0 EGABHN Clc1ccc(C2(CN3CCN(C[C@H]4CCCO4)CC3)CC2)cc1 ZINC000019332785 453656360 /nfs/dbraw/zinc/65/63/60/453656360.db2.gz QAUAUMFDHINSIC-GOSISDBHSA-N 0 3 334.891 3.168 40 0 EGABHN O=C(CSC1=NCCN1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000026441709 453799901 /nfs/dbraw/zinc/79/99/01/453799901.db2.gz HANYTILGOFYNSW-UHFFFAOYSA-N 0 3 338.647 3.278 40 0 EGABHN CCCN1CCN(c2ccccc2CNCc2c(C)noc2C)CC1 ZINC000088693246 454116355 /nfs/dbraw/zinc/11/63/55/454116355.db2.gz PAJIGPPPUZJDGX-UHFFFAOYSA-N 0 3 342.487 3.113 40 0 EGABHN CC(C)[C@@H](NCC(=O)NC(=O)NC(C)(C)C)c1ccc(Cl)cc1 ZINC000057563046 454136141 /nfs/dbraw/zinc/13/61/41/454136141.db2.gz DALWWOACDTYXQY-OAHLLOKOSA-N 0 3 339.867 3.251 40 0 EGABHN CN1CCC(NC(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)CC1 ZINC000071923092 454258956 /nfs/dbraw/zinc/25/89/56/454258956.db2.gz PNAQRMCNUPYXOT-UHFFFAOYSA-N 0 3 330.432 3.341 40 0 EGABHN Cn1cc(CN2CCC[C@]3(CCN(Cc4ccc(F)cc4)C3)C2)cn1 ZINC000096046987 454270336 /nfs/dbraw/zinc/27/03/36/454270336.db2.gz YPVCDFBODJECLZ-FQEVSTJZSA-N 0 3 342.462 3.047 40 0 EGABHN Fc1cccc(O[C@H]2C[C@@H]3CN(Cc4cccs4)CCN3C2)c1 ZINC000096055133 454274697 /nfs/dbraw/zinc/27/46/97/454274697.db2.gz DMCBCGNLDSUMOU-WBVHZDCISA-N 0 3 332.444 3.225 40 0 EGABHN C[C@H]1CN(Cc2ccsc2)CC[C@]12CC[C@H](C(=O)NCC1CC1)O2 ZINC000096061280 454276925 /nfs/dbraw/zinc/27/69/25/454276925.db2.gz UZJFZDCVTDGBPT-POZUXBRTSA-N 0 3 348.512 3.034 40 0 EGABHN Cc1ccc(N2CCC3(CCN(Cc4cccn4C)CC3)CC2)nn1 ZINC000096063016 454277902 /nfs/dbraw/zinc/27/79/02/454277902.db2.gz HXCLEUBTWPHVGO-UHFFFAOYSA-N 0 3 339.487 3.006 40 0 EGABHN Cc1ccc(CN2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)o1 ZINC000096107030 454284718 /nfs/dbraw/zinc/28/47/18/454284718.db2.gz VIFVOMJRTQQNCR-INIZCTEOSA-N 0 3 346.402 3.325 40 0 EGABHN C[C@H](CNC(=O)c1ccc(Br)cc1)N1CCC[C@H](C)C1 ZINC000060555353 454301617 /nfs/dbraw/zinc/30/16/17/454301617.db2.gz LLAZDTFCIPMRPW-QWHCGFSZSA-N 0 3 339.277 3.299 40 0 EGABHN Cc1cc(C)cc(CN2CC[C@]3(C2)C[C@H](N2CCCC2=O)CCO3)c1 ZINC000096208707 454305467 /nfs/dbraw/zinc/30/54/67/454305467.db2.gz UVVMTLVBMLMBHX-TZIWHRDSSA-N 0 3 342.483 3.049 40 0 EGABHN CSc1ccc([C@H](C)NC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1 ZINC000096461205 454359699 /nfs/dbraw/zinc/35/96/99/454359699.db2.gz ZAJALAGMSRMVLZ-KEYYUXOJSA-N 0 3 335.517 3.451 40 0 EGABHN O=C(c1cc(F)ccc1F)C1CCN(CCCn2ccnc2)CC1 ZINC000096493045 454370112 /nfs/dbraw/zinc/37/01/12/454370112.db2.gz ZIFIYARAYGLWHB-UHFFFAOYSA-N 0 3 333.382 3.146 40 0 EGABHN COc1ccc(CN2CCC(N[C@@H](C)c3c[nH]nc3C)CC2)cc1F ZINC000097233890 454428851 /nfs/dbraw/zinc/42/88/51/454428851.db2.gz BVGWHBBIOHXZOC-ZDUSSCGKSA-N 0 3 346.450 3.181 40 0 EGABHN CCN1CC[C@H](N(C)C(=O)C[C@@H](C)C(=O)c2cccc(F)c2)[C@H](C)C1 ZINC000073949319 454506233 /nfs/dbraw/zinc/50/62/33/454506233.db2.gz CPKYYEDSOCVBCR-RKVPGOIHSA-N 0 3 348.462 3.223 40 0 EGABHN O=C(c1ccccc1Cl)N1CCCN(C2CCSCC2)CC1 ZINC000092931189 454656703 /nfs/dbraw/zinc/65/67/03/454656703.db2.gz VSZKQPPVPTZDKK-UHFFFAOYSA-N 0 3 338.904 3.384 40 0 EGABHN Cc1cccc(CN2CCC[C@@]3(C[C@@H](Nc4cccnc4)CO3)C2)n1 ZINC000107228378 454747475 /nfs/dbraw/zinc/74/74/75/454747475.db2.gz IPUZESSZBBOFLB-WOJBJXKFSA-N 0 3 338.455 3.021 40 0 EGABHN CN(C)C(=O)NC1CC2(C1)CCN(Cc1ccccc1Cl)CC2 ZINC000108535239 454802322 /nfs/dbraw/zinc/80/23/22/454802322.db2.gz GVQFHABGJJIMFJ-UHFFFAOYSA-N 0 3 335.879 3.356 40 0 EGABHN CCCO[C@@H]1CCCN([C@H](C)C(=O)NCCc2cccs2)CC1 ZINC000110595270 454848942 /nfs/dbraw/zinc/84/89/42/454848942.db2.gz FBPLIBPHGBXQDU-HZPDHXFCSA-N 0 3 338.517 3.076 40 0 EGABHN C[C@H]1CN(c2ccc(CNCc3cccc4[nH]ccc43)cn2)CCO1 ZINC000237539696 455193272 /nfs/dbraw/zinc/19/32/72/455193272.db2.gz BDBXTBJECXZAIV-HNNXBMFYSA-N 0 3 336.439 3.078 40 0 EGABHN C[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)c1nccs1 ZINC000248756387 455729851 /nfs/dbraw/zinc/72/98/51/455729851.db2.gz GFABNTBMLOOSDT-IJEWVQPXSA-N 0 3 344.484 3.024 40 0 EGABHN CC(C)n1nccc1CNCc1ccc(OC2CCN(C)CC2)cc1 ZINC000253416471 455842524 /nfs/dbraw/zinc/84/25/24/455842524.db2.gz FFDYVPMCZSOLAP-UHFFFAOYSA-N 0 3 342.487 3.227 40 0 EGABHN Cc1noc(C)c1-c1nccc([C@@H]2CCCN2C2CCOCC2)n1 ZINC000257279040 455881151 /nfs/dbraw/zinc/88/11/51/455881151.db2.gz OETICCMDQMMBQI-INIZCTEOSA-N 0 3 328.416 3.064 40 0 EGABHN Cc1csc(C(=O)N2CCO[C@H](c3cc(N(C)C)cc(C)n3)C2)c1 ZINC000257327772 455892866 /nfs/dbraw/zinc/89/28/66/455892866.db2.gz XCQFAKNMZOJHGH-INIZCTEOSA-N 0 3 345.468 3.040 40 0 EGABHN COCCC1(CN2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)CCCCC1 ZINC000187476536 455915386 /nfs/dbraw/zinc/91/53/86/455915386.db2.gz SYVKWEDGZQGWQE-FGTMMUONSA-N 0 3 325.493 3.242 40 0 EGABHN Cc1ccc(Oc2ccccc2NC(=O)C[C@@H]2CNCCO2)cc1 ZINC000195531120 455981310 /nfs/dbraw/zinc/98/13/10/455981310.db2.gz CYJQOQPVEUAFDV-MRXNPFEDSA-N 0 3 326.396 3.104 40 0 EGABHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000221348522 456042643 /nfs/dbraw/zinc/04/26/43/456042643.db2.gz PAXSWWDWSTWKIY-MJVIPROJSA-N 0 3 344.425 3.338 40 0 EGABHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000221348415 456042690 /nfs/dbraw/zinc/04/26/90/456042690.db2.gz PAXSWWDWSTWKIY-COPLHBTASA-N 0 3 344.425 3.338 40 0 EGABHN O=C(Nc1ncc(C(F)(F)F)[n-]1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000283451883 456784293 /nfs/dbraw/zinc/78/42/93/456784293.db2.gz ZMWCXJAKDPYOEB-UHFFFAOYSA-N 0 3 338.333 3.277 40 0 EGABHN c1cc2n(c1)C[C@@H](CCOCC1CC1)CN(CC1CCOCC1)C2 ZINC000585095533 459823089 /nfs/dbraw/zinc/82/30/89/459823089.db2.gz VPBZPYMYLNERPP-IBGZPJMESA-N 0 3 332.488 3.163 40 0 EGABHN CN(Cc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1Cl ZINC000068045960 215271454 /nfs/dbraw/zinc/27/14/54/215271454.db2.gz WEGQYKZIDMHISK-QGZVFWFLSA-N 0 3 337.822 3.489 40 0 EGABHN Cc1cc(F)ccc1CN[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000069170957 215367124 /nfs/dbraw/zinc/36/71/24/215367124.db2.gz NZKIQBMPGIYSSE-OAQYLSRUSA-N 0 3 341.474 3.212 40 0 EGABHN OC[C@H]1C=C[C@@H](N[C@H]2CCCOc3c(Br)cccc32)C1 ZINC000183576373 235146435 /nfs/dbraw/zinc/14/64/35/235146435.db2.gz QVGKHHIYRRJUKJ-ZOWXZIJZSA-N 0 3 338.245 3.189 40 0 EGABHN COC[C@H](NCc1ccc(Br)s1)C1CCOCC1 ZINC000187849012 236316434 /nfs/dbraw/zinc/31/64/34/236316434.db2.gz IBXDFAWKAZJSQY-LBPRGKRZSA-N 0 3 334.279 3.042 40 0 EGABHN O=S(=O)(c1ccccc1)N1C[C@@H]2CCCCN(C3CCCC3)[C@@H]2C1 ZINC000072330676 216155025 /nfs/dbraw/zinc/15/50/25/216155025.db2.gz RPQXLAUOVBPTNV-QFBILLFUSA-N 0 3 348.512 3.104 40 0 EGABHN O=C(C1CCC1)N1CCN(C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355148 216163950 /nfs/dbraw/zinc/16/39/50/216163950.db2.gz DHSQUWOJKQTKEZ-KRWDZBQOSA-N 0 3 341.499 3.127 40 0 EGABHN COc1cccc(CN2CC[C@H](c3nc(-c4ccncc4)no3)C2)c1 ZINC000072389917 216189103 /nfs/dbraw/zinc/18/91/03/216189103.db2.gz KPBUCCPPRRGKAB-INIZCTEOSA-N 0 3 336.395 3.130 40 0 EGABHN Fc1ccc(-c2cc(CN3CCCCCC3)c3nnnn3c2)cc1 ZINC000072392335 216191250 /nfs/dbraw/zinc/19/12/50/216191250.db2.gz LJWQPHHCARDMBA-UHFFFAOYSA-N 0 3 325.391 3.306 40 0 EGABHN C[C@H](N[C@@H](C)c1ccc(-c2cncnc2)cc1)C(=O)NC(C)(C)C ZINC000073411629 216384005 /nfs/dbraw/zinc/38/40/05/216384005.db2.gz QSXVXFSKBQSHQW-KBPBESRZSA-N 0 3 326.444 3.097 40 0 EGABHN CC(=O)NCc1cccc([C@H]2CCCN2CCc2ccc(F)cc2)n1 ZINC000257207560 244138662 /nfs/dbraw/zinc/13/86/62/244138662.db2.gz BIHOLZBFQMCQFZ-HXUWFJFHSA-N 0 3 341.430 3.236 40 0 EGABHN Cc1c(CN2CCC(Oc3cnccn3)CC2)c2ccccc2n1C ZINC000019659057 212054093 /nfs/dbraw/zinc/05/40/93/212054093.db2.gz ARRUYGUTRZMCNC-UHFFFAOYSA-N 0 3 336.439 3.320 40 0 EGABHN CN1CCN(CC2CC2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019589537 212049112 /nfs/dbraw/zinc/04/91/12/212049112.db2.gz ARBBWOWPBUEPTF-OAQYLSRUSA-N 0 3 349.478 3.091 40 0 EGABHN O[C@]1(c2ccccc2)CCN(Cc2cccc(Oc3ncccn3)c2)C1 ZINC000019369780 212022621 /nfs/dbraw/zinc/02/26/21/212022621.db2.gz DASHMSDRRRFPRJ-OAQYLSRUSA-N 0 3 347.418 3.362 40 0 EGABHN C[C@H](c1nc(C2CC2)no1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000266437476 248300258 /nfs/dbraw/zinc/30/02/58/248300258.db2.gz VMVUCMGSPQHEHB-CQSZACIVSA-N 0 3 349.438 3.378 40 0 EGABHN COc1cccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)c1 ZINC000012135063 211301343 /nfs/dbraw/zinc/30/13/43/211301343.db2.gz IONLHEXFPFOAQY-HTZLVSCSSA-N 0 3 338.451 3.210 40 0 EGABHN CC(=O)N1CC[C@@H](CN(C)Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000092101255 218119296 /nfs/dbraw/zinc/11/92/96/218119296.db2.gz UKUGDTPUYUGQFY-LBPRGKRZSA-N 0 3 332.341 3.145 40 0 EGABHN C[C@H]1CC[C@@H](CCC(=O)NC2CCN(Cc3cccs3)CC2)O1 ZINC000095404736 218339960 /nfs/dbraw/zinc/33/99/60/218339960.db2.gz XIKDUUBKVCCANO-HOCLYGCPSA-N 0 3 336.501 3.176 40 0 EGABHN Clc1ccc2nc(CNC3CCN(c4nccs4)CC3)cn2c1 ZINC000097237287 219003115 /nfs/dbraw/zinc/00/31/15/219003115.db2.gz SWMXUHCUPCVIHS-UHFFFAOYSA-N 0 3 347.875 3.203 40 0 EGABHN C[C@@H](NCCc1ccnn1C)c1ccc(Br)cc1F ZINC000129701956 533405681 /nfs/dbraw/zinc/40/56/81/533405681.db2.gz NEDBBEPNUKZQMC-SNVBAGLBSA-N 0 3 326.213 3.215 40 0 EGABHN C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCCCCC1 ZINC000008211703 298121486 /nfs/dbraw/zinc/12/14/86/298121486.db2.gz IPUOPLNUYGLFOH-ZIUDEIKKSA-N 0 3 347.503 3.046 40 0 EGABHN CSc1ccc(NC(=O)N(C)C[C@H]2CCCN(C)C2)cc1F ZINC000096435400 454346125 /nfs/dbraw/zinc/34/61/25/454346125.db2.gz WRJISHMSJNQJDR-LBPRGKRZSA-N 0 3 325.453 3.353 40 0 EGABHN CCCN1C[C@H](C[S@](C)=O)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000005834084 452905148 /nfs/dbraw/zinc/90/51/48/452905148.db2.gz WOIHSNDTPKFAJW-DTICPPOHSA-N 0 3 330.497 3.287 40 0 in-vitro EGABHN CCOc1cc(CN[C@H](CC)CO)cc(Br)c1OCC ZINC000008327008 453192298 /nfs/dbraw/zinc/19/22/98/453192298.db2.gz JWXRYPQDOSTVIU-GFCCVEGCSA-N 0 3 346.265 3.107 40 0 EGABHN O=C(CCNCc1ccc(-n2cnc3ccccc32)cc1)N1CCCC1 ZINC000009466478 453253702 /nfs/dbraw/zinc/25/37/02/453253702.db2.gz NXJJNEAVRBJLRW-UHFFFAOYSA-N 0 3 348.450 3.128 40 0 EGABHN CC1CCN([C@H](CNc2ncnc3n[nH]cc32)c2cccs2)CC1 ZINC000012547871 453372903 /nfs/dbraw/zinc/37/29/03/453372903.db2.gz XJPDAJKUZSHDSG-CQSZACIVSA-N 0 3 342.472 3.300 40 0 EGABHN C[C@@H]1CN(c2nccc(CN3CCC[C@@H]4CCCC[C@@H]43)n2)C[C@@H](C)O1 ZINC000019497688 453656121 /nfs/dbraw/zinc/65/61/21/453656121.db2.gz JSRKLFWAMGIZPM-VXNCWWDNSA-N 0 3 344.503 3.245 40 0 EGABHN O=C1NC[C@@H](C2CCN(Cc3cccs3)CC2)c2ccccc21 ZINC000019375015 453656286 /nfs/dbraw/zinc/65/62/86/453656286.db2.gz QAGYTTNMJHUXQF-SFHVURJKSA-N 0 3 326.465 3.487 40 0 EGABHN CC[C@H](CNC(=O)c1cc(Br)ccc1F)N1CCCC1 ZINC000032660688 453882718 /nfs/dbraw/zinc/88/27/18/453882718.db2.gz LFOXPQSISXOWQB-GFCCVEGCSA-N 0 3 343.240 3.192 40 0 EGABHN C=Cn1ncc(CN2CCCN(c3cccc(OC)c3)CC2)c1C ZINC000057811400 454147705 /nfs/dbraw/zinc/14/77/05/454147705.db2.gz RLVIEUPFTDVWDQ-UHFFFAOYSA-N 0 3 326.444 3.013 40 0 EGABHN CCOc1ccc([C@H](N)c2n[nH]c(-c3ccc(C)cc3)n2)cc1OC ZINC000095534312 454230018 /nfs/dbraw/zinc/23/00/18/454230018.db2.gz CDBYQNYZWXZBRC-KRWDZBQOSA-N 0 3 338.411 3.236 40 0 EGABHN Cc1ccccc1OCCCN(C)C[C@H](O)COc1ccccc1C ZINC000059384298 454257768 /nfs/dbraw/zinc/25/77/68/454257768.db2.gz IPHIOKCINSCLRD-IBGZPJMESA-N 0 3 343.467 3.444 40 0 EGABHN C[C@H](C(=O)N1CCCCC1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000071953245 454261683 /nfs/dbraw/zinc/26/16/83/454261683.db2.gz LNZKIZPKVKUALH-MRXNPFEDSA-N 0 3 332.463 3.481 40 0 EGABHN O=C(c1cccs1)N1CCC[C@]2(CCN(Cc3cccnc3)C2)C1 ZINC000096047025 454269517 /nfs/dbraw/zinc/26/95/17/454269517.db2.gz IMBFMSYMRBRWNG-LJQANCHMSA-N 0 3 341.480 3.271 40 0 EGABHN Fc1ccc(CN2CC[C@]3(C2)CCCN(c2ncccn2)C3)cc1 ZINC000096047156 454270061 /nfs/dbraw/zinc/27/00/61/454270061.db2.gz MHPWFKDJNDAYSL-IBGZPJMESA-N 0 3 326.419 3.108 40 0 EGABHN O=C1N(Cc2ccccn2)CCC12CCN(Cc1ccsc1)CC2 ZINC000096046897 454270172 /nfs/dbraw/zinc/27/01/72/454270172.db2.gz IECIRBKOACZVBB-UHFFFAOYSA-N 0 3 341.480 3.158 40 0 EGABHN Cc1ccc(CN2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)o1 ZINC000096049550 454272380 /nfs/dbraw/zinc/27/23/80/454272380.db2.gz SIVDRQLYCSDWJU-FQEVSTJZSA-N 0 3 341.455 3.102 40 0 EGABHN CN1CCN(c2ccc([C@H]3CCCN3Cc3ccccc3)cn2)CC1 ZINC000072216512 454273462 /nfs/dbraw/zinc/27/34/62/454273462.db2.gz OYOLBOTZYZOWTI-HXUWFJFHSA-N 0 3 336.483 3.171 40 0 EGABHN c1ccc(CN2CCCC[C@H]2c2cccnc2N2CCNCC2)cc1 ZINC000072216369 454274197 /nfs/dbraw/zinc/27/41/97/454274197.db2.gz QZLMWDVOBILXFU-FQEVSTJZSA-N 0 3 336.483 3.218 40 0 EGABHN Cc1ccc(CN2CCOC[C@@]3(CCN(Cc4cccs4)C3)C2)o1 ZINC000096062395 454278458 /nfs/dbraw/zinc/27/84/58/454278458.db2.gz FEMXWNQWDHYYPO-LJQANCHMSA-N 0 3 346.496 3.374 40 0 EGABHN O=C(Nc1ccccc1)N1C[C@H]2[C@@H](CN2CCCc2ccccc2)C1 ZINC000096080589 454280359 /nfs/dbraw/zinc/28/03/59/454280359.db2.gz ODAWGHBAUACBMA-ICSRJNTNSA-N 0 3 335.451 3.467 40 0 EGABHN O=C1[C@@H]2C[C@@H](CN2C2CCC2)Oc2ccccc2N1Cc1ccccn1 ZINC000096111853 454287072 /nfs/dbraw/zinc/28/70/72/454287072.db2.gz VQYWXMOQISYWQF-HKUYNNGSSA-N 0 3 349.434 3.003 40 0 biogenic,in-vitro EGABHN CC(C)n1c2cc(C(=O)NCCN(C)C)n(C)c2c2ccccc21 ZINC000096146394 454292519 /nfs/dbraw/zinc/29/25/19/454292519.db2.gz UFVGXXKTSYFGTO-UHFFFAOYSA-N 0 3 326.444 3.005 40 0 EGABHN CN1C(=O)C[C@@H](c2ccncc2)C12CCN(Cc1ccsc1)CC2 ZINC000096199978 454302787 /nfs/dbraw/zinc/30/27/87/454302787.db2.gz KAIAHKORFWXIJB-KRWDZBQOSA-N 0 3 341.480 3.124 40 0 EGABHN Cc1cccc(CN2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)n1 ZINC000096199595 454302887 /nfs/dbraw/zinc/30/28/87/454302887.db2.gz XXHBWGWDAGVTOD-IBGZPJMESA-N 0 3 335.451 3.028 40 0 EGABHN CCOC[C@@H]1COCCC12CCN(Cc1ccccc1OC)CC2 ZINC000096205842 454303670 /nfs/dbraw/zinc/30/36/70/454303670.db2.gz YSGCWTWAQMGNBA-GOSISDBHSA-N 0 3 333.472 3.350 40 0 EGABHN Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)CC4CC4)C3)C2)n1 ZINC000096216254 454306252 /nfs/dbraw/zinc/30/62/52/454306252.db2.gz KWDZFEVSJKNJRJ-HXUWFJFHSA-N 0 3 327.472 3.005 40 0 EGABHN O=C1CC[C@@]2(CCCN(Cc3ccco3)CC2)N1Cc1ccncc1 ZINC000096218079 454306678 /nfs/dbraw/zinc/30/66/78/454306678.db2.gz WPSDEPPOMHAQOL-HXUWFJFHSA-N 0 3 339.439 3.222 40 0 EGABHN CC(C)NC(=O)N1CC[C@H](F)[C@@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096241269 454311184 /nfs/dbraw/zinc/31/11/84/454311184.db2.gz FEEGXCIVAJOQOH-DOTOQJQBSA-N 0 3 339.480 3.102 40 0 EGABHN Cc1nnc2ccc(NC3CCN([C@H](C)c4ccccc4)CC3)nn12 ZINC000096407650 454325668 /nfs/dbraw/zinc/32/56/68/454325668.db2.gz WYAHTPRFQSRLQL-CQSZACIVSA-N 0 3 336.443 3.070 40 0 EGABHN Cc1ccc(CC(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)cn1 ZINC000096408501 454326435 /nfs/dbraw/zinc/32/64/35/454326435.db2.gz ZMBVSBXQSKLKNT-UHFFFAOYSA-N 0 3 347.846 3.165 40 0 EGABHN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@H]1CCCN(C)C1 ZINC000096414433 454331163 /nfs/dbraw/zinc/33/11/63/454331163.db2.gz XUOJEJSVBJBSSH-UKRRQHHQSA-N 0 3 342.405 3.342 40 0 EGABHN COC(=O)CCc1ccc(NC(=O)c2cccc(CN(C)C)c2)cc1 ZINC000096421702 454336314 /nfs/dbraw/zinc/33/63/14/454336314.db2.gz OYGNTOYDMLPELH-UHFFFAOYSA-N 0 3 340.423 3.106 40 0 EGABHN Cc1ccc(CCNC(=O)c2oc3ccccc3c2CN(C)C)cn1 ZINC000096436491 454347536 /nfs/dbraw/zinc/34/75/36/454347536.db2.gz DNXRRJZRPDAMMN-UHFFFAOYSA-N 0 3 337.423 3.170 40 0 EGABHN CCn1ccnc1CNc1cc(CN2CCSCC2)ccc1C ZINC000096482824 454364885 /nfs/dbraw/zinc/36/48/85/454364885.db2.gz RUBWFDKYDLSCBW-UHFFFAOYSA-N 0 3 330.501 3.372 40 0 EGABHN C[C@@H](NCCCN1CCCC1=O)c1ccc(Br)cc1F ZINC000125573912 454833222 /nfs/dbraw/zinc/83/32/22/454833222.db2.gz IEVRQFVZJFWGRP-LLVKDONJSA-N 0 3 343.240 3.251 40 0 EGABHN CCN1CC[C@H](N(C)C(=O)C[C@@H](C)C(=O)c2cccc(F)c2)[C@@H](C)C1 ZINC000195532494 455981459 /nfs/dbraw/zinc/98/14/59/455981459.db2.gz CPKYYEDSOCVBCR-VKJFTORMSA-N 0 3 348.462 3.223 40 0 EGABHN Cc1ncc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c(C2CC2)n1 ZINC000281390672 456220250 /nfs/dbraw/zinc/22/02/50/456220250.db2.gz OYZIRKAUNSZXPM-YJYMSZOUSA-N 0 3 338.455 3.084 40 0 EGABHN Cc1ncc(CN2CCC[C@]3(CN(CC4CCCCC4)C3=O)C2)s1 ZINC000585099418 459823492 /nfs/dbraw/zinc/82/34/92/459823492.db2.gz IVJHSHVLGVDIRA-LJQANCHMSA-N 0 3 347.528 3.456 40 0 EGABHN COc1ccc(CN[C@H]2CCC[C@@H](Oc3ccccc3C)[C@@H]2O)cc1 ZINC000585288621 459833817 /nfs/dbraw/zinc/83/38/17/459833817.db2.gz FSOLVIURTQMIIC-CEWLAPEOSA-N 0 3 341.451 3.454 40 0 EGABHN S=C(NCc1ccccc1)NC1CCN(Cc2ccccc2)CC1 ZINC000003437134 526383972 /nfs/dbraw/zinc/38/39/72/526383972.db2.gz JPEDFSIYUVWPGA-UHFFFAOYSA-N 0 3 339.508 3.315 40 0 EGABHN CCOC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 ZINC000066055334 215004853 /nfs/dbraw/zinc/00/48/53/215004853.db2.gz ZTZWBICGABZDQN-OALUTQOASA-N 0 3 337.419 3.181 40 0 EGABHN COc1ccc(-c2cc(CC3(NCCC(C)C)COC3)no2)cc1 ZINC000067898349 215245364 /nfs/dbraw/zinc/24/53/64/215245364.db2.gz JJCQCMAGFVLPMC-UHFFFAOYSA-N 0 3 330.428 3.297 40 0 biogenic,in-vitro EGABHN Cc1cccc(CN2CCC[C@H]2c2cc(CCC(N)=O)cc(C)n2)c1 ZINC000072367128 216172747 /nfs/dbraw/zinc/17/27/47/216172747.db2.gz KNCNEYSBCHNFAX-FQEVSTJZSA-N 0 3 337.467 3.453 40 0 EGABHN c1cn(-c2cncc([C@H]3CCCN3CCCc3ccccc3)n2)cn1 ZINC000072378674 216180440 /nfs/dbraw/zinc/18/04/40/216180440.db2.gz GKWHWPSHQQWGHL-LJQANCHMSA-N 0 3 333.439 3.432 40 0 EGABHN c1c2ccccc2sc1CN1CCOC[C@H](Cc2ccncn2)C1 ZINC000257242132 244246543 /nfs/dbraw/zinc/24/65/43/244246543.db2.gz IBFUFSWPUYPWDF-OAHLLOKOSA-N 0 3 339.464 3.382 40 0 EGABHN O=C(CC(F)(F)F)N1CCC[C@@H]1c1cccc(CN2CCCC2)n1 ZINC000257263519 244352994 /nfs/dbraw/zinc/35/29/94/244352994.db2.gz LQHJHYQEGAAIIO-OAHLLOKOSA-N 0 3 341.377 3.293 40 0 EGABHN CC1(C)Cc2cc(CN3CC[C@H](C(=O)NC4CCCC4)C3)ccc2O1 ZINC000019750390 212062190 /nfs/dbraw/zinc/06/21/90/212062190.db2.gz WBHWHTYMZSWIAK-INIZCTEOSA-N 0 3 342.483 3.281 40 0 EGABHN COc1ccccc1CN1CC[C@@H](c2nc(-c3ccncc3)no2)C1 ZINC000019570067 212043354 /nfs/dbraw/zinc/04/33/54/212043354.db2.gz LWQHMTRTOAERJW-MRXNPFEDSA-N 0 3 336.395 3.130 40 0 EGABHN CC(C)Oc1cccc(CN(CCN(C)C)Cc2ccccn2)c1 ZINC000019450788 212029048 /nfs/dbraw/zinc/02/90/48/212029048.db2.gz VCNUCJUNLIGMQA-UHFFFAOYSA-N 0 3 327.472 3.433 40 0 EGABHN OC1(Cn2ccc3ccncc32)CCN(Cc2ccsc2)CC1 ZINC000019404724 212025373 /nfs/dbraw/zinc/02/53/73/212025373.db2.gz ZMGKISGQLQUMHV-UHFFFAOYSA-N 0 3 327.453 3.125 40 0 EGABHN O=C(Nc1cnccc1N1CCCCC1)c1cc(=O)c2ccccc2o1 ZINC000079041180 217180013 /nfs/dbraw/zinc/18/00/13/217180013.db2.gz VAAFWJVLLWEGBQ-UHFFFAOYSA-N 0 3 349.390 3.431 40 0 EGABHN C[C@H](NC1(CNC(=O)c2cccs2)CCOCC1)c1ccccc1 ZINC000079096178 217191248 /nfs/dbraw/zinc/19/12/48/217191248.db2.gz PVOJYUQUZXPWBR-HNNXBMFYSA-N 0 3 344.480 3.378 40 0 EGABHN Cc1cc(C[C@@H]2COC[C@H]2NCc2ccc(C(F)(F)F)cc2)on1 ZINC000012366569 211356879 /nfs/dbraw/zinc/35/68/79/211356879.db2.gz BPZFRLRWTUUNQD-CZUORRHYSA-N 0 3 340.345 3.349 40 0 EGABHN Cc1ccc([C@@H](O)CN2CCC(O)(c3ccccc3F)CC2)cc1C ZINC000012292201 211334420 /nfs/dbraw/zinc/33/44/20/211334420.db2.gz RPRXSYBSIDFLGH-FQEVSTJZSA-N 0 3 343.442 3.460 40 0 EGABHN CCCc1ccc(CN2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)s1 ZINC000012116996 211296713 /nfs/dbraw/zinc/29/67/13/211296713.db2.gz CYZKXPXHBSPDMM-RTHVDDQRSA-N 0 3 345.512 3.449 40 0 EGABHN CN1CCC[C@@H](CNC(=S)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000009876554 211130149 /nfs/dbraw/zinc/13/01/49/211130149.db2.gz GAHALRUJSWSMDI-NSHDSACASA-N 0 3 331.407 3.334 40 0 EGABHN C[C@@H]1CC[C@H](CCC(=O)NC2CCN(Cc3cccs3)CC2)O1 ZINC000095404733 218340358 /nfs/dbraw/zinc/34/03/58/218340358.db2.gz XIKDUUBKVCCANO-GDBMZVCRSA-N 0 3 336.501 3.176 40 0 EGABHN C[C@@H](NCC1(N2CCCC2)CCOCC1)c1ncc(C(C)(C)C)o1 ZINC000095406479 218342574 /nfs/dbraw/zinc/34/25/74/218342574.db2.gz MHLYEXWUTBYEJQ-OAHLLOKOSA-N 0 3 335.492 3.268 40 0 EGABHN c1coc(CN2CCC3(CO[C@H](COCC4CCOCC4)C3)CC2)c1 ZINC000096110784 218606720 /nfs/dbraw/zinc/60/67/20/218606720.db2.gz BWVMJGDRKQQLND-IBGZPJMESA-N 0 3 349.471 3.094 40 0 EGABHN c1cc(CN2CCC3(CO[C@@H](COCc4cccnc4)C3)CC2)co1 ZINC000096106137 285434564 /nfs/dbraw/zinc/43/45/64/285434564.db2.gz RCEZOOHMSXWKMB-LJQANCHMSA-N 0 3 342.439 3.263 40 0 EGABHN Cc1cccc([C@H]2CCCN2C(=O)Nc2ccn(CCN(C)C)n2)c1 ZINC000173931356 292582221 /nfs/dbraw/zinc/58/22/21/292582221.db2.gz MAUVWGYVLPEGBH-QGZVFWFLSA-N 0 3 341.459 3.122 40 0 EGABHN CCN(CC)CCOC(=O)[C@H](c1ccccc1)[C@H](O)C1=CCCC1 ZINC000001593586 279107968 /nfs/dbraw/zinc/10/79/68/279107968.db2.gz QEDNEDZUHNKWMR-RTBURBONSA-N 0 3 331.456 3.126 40 0 EGABHN CN(C)C(=O)c1sc2nccnc2c1[C@H]1CCN(C2CCCC2)C1 ZINC000257276427 289035056 /nfs/dbraw/zinc/03/50/56/289035056.db2.gz NTSIIHZMJONEDW-LBPRGKRZSA-N 0 3 344.484 3.125 40 0 EGABHN CC(C)(CN[C@@H]1CCCS(=O)(=O)C1)Cc1cccc(Cl)c1 ZINC000096491692 454368204 /nfs/dbraw/zinc/36/82/04/454368204.db2.gz FJVDNCCQKVZHKH-OAHLLOKOSA-N 0 3 329.893 3.076 40 0 EGABHN CCN(CC)CCOC(=O)[C@](O)(c1ccccc1)c1ccc(C)cc1 ZINC000006382285 452938340 /nfs/dbraw/zinc/93/83/40/452938340.db2.gz BLAYYINNKMRCSQ-NRFANRHFSA-N 0 3 341.451 3.116 40 0 EGABHN S=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)NC1CCN(Cc2ccccc2)CC1 ZINC000007990767 453146190 /nfs/dbraw/zinc/14/61/90/453146190.db2.gz DEPXTJGCHSZECI-YQVWRLOYSA-N 0 3 343.540 3.304 40 0 EGABHN O=C(Nc1ccccc1CN1CCCC1)c1n[nH]cc1Br ZINC000076958336 454053180 /nfs/dbraw/zinc/05/31/80/454053180.db2.gz HPRWRQSQEPLNNN-UHFFFAOYSA-N 0 3 349.232 3.020 40 0 EGABHN COc1cccc(CN2CCC3(CC2)CCN(C(=O)N(C)C)CC3)c1 ZINC000096047252 454270073 /nfs/dbraw/zinc/27/00/73/454270073.db2.gz DMQRGNUDZOZBHH-UHFFFAOYSA-N 0 3 345.487 3.055 40 0 EGABHN Cc1cccc(CN2CC[C@]3(CCN(Cc4cccnc4)C3)C2=O)c1 ZINC000096050577 454272867 /nfs/dbraw/zinc/27/28/67/454272867.db2.gz DNXQCBLDYYXZMZ-NRFANRHFSA-N 0 3 335.451 3.015 40 0 EGABHN Cc1cccc(CN2C[C@@H]3CN(Cc4ccc(F)cc4)C[C@@H]3C2=O)c1 ZINC000096053706 454272896 /nfs/dbraw/zinc/27/28/96/454272896.db2.gz KHJFZBNVKOHTJU-ICSRJNTNSA-N 0 3 338.426 3.225 40 0 EGABHN CN(Cc1ccco1)[C@@H]1CCC[C@H]2CN(C(=O)c3ccccn3)C[C@@H]21 ZINC000096054592 454274494 /nfs/dbraw/zinc/27/44/94/454274494.db2.gz TVANRJKGPVDAOX-VDZJLULYSA-N 0 3 339.439 3.047 40 0 EGABHN c1cc(CN2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)cs1 ZINC000096073152 454279906 /nfs/dbraw/zinc/27/99/06/454279906.db2.gz YTPTZAUTLIVSMS-GOSISDBHSA-N 0 3 344.480 3.483 40 0 EGABHN Cc1ccc(CN2CCC3(CC2)C(=O)N(C)C[C@H]3c2ccccc2)o1 ZINC000096100284 454282574 /nfs/dbraw/zinc/28/25/74/454282574.db2.gz ABKQHMCOUIOUBC-IBGZPJMESA-N 0 3 338.451 3.426 40 0 EGABHN Cc1ccc(CN2CCC3(CC2)C(=O)N(C)C[C@@H]3c2ccccc2)o1 ZINC000096100285 454282637 /nfs/dbraw/zinc/28/26/37/454282637.db2.gz ABKQHMCOUIOUBC-LJQANCHMSA-N 0 3 338.451 3.426 40 0 EGABHN Cc1ccc(CN2C[C@@H](OCc3ccccn3)[C@@H]3OCCC[C@@H]32)s1 ZINC000096110778 454287293 /nfs/dbraw/zinc/28/72/93/454287293.db2.gz WEQBCFXQPDDEFY-IPMKNSEASA-N 0 3 344.480 3.400 40 0 EGABHN Cc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3Cc2ccncc2)s1 ZINC000096110752 454287758 /nfs/dbraw/zinc/28/77/58/454287758.db2.gz DQFLKUUURVTMFN-QZTJIDSGSA-N 0 3 341.480 3.217 40 0 EGABHN Cc1cccc(CN2CCC3(CCN(Cc4ccccn4)CC3)C2=O)c1 ZINC000096157980 454294148 /nfs/dbraw/zinc/29/41/48/454294148.db2.gz PTMXGGWLYYCQOS-UHFFFAOYSA-N 0 3 349.478 3.405 40 0 EGABHN c1cc(CN2CCC[C@]3(C[C@H](OCc4ccncc4)CO3)C2)cs1 ZINC000096206206 454303967 /nfs/dbraw/zinc/30/39/67/454303967.db2.gz RZMQWTJIQKXPCX-OALUTQOASA-N 0 3 344.480 3.483 40 0 EGABHN COC[C@H]1COCCC12CCN(Cc1ccc3ccccc3n1)CC2 ZINC000096208098 454304713 /nfs/dbraw/zinc/30/47/13/454304713.db2.gz JZWORLYPGXORNU-SFHVURJKSA-N 0 3 340.467 3.500 40 0 EGABHN Cc1ccc(CN2CCC[C@]3(C[C@H](OCC4CCOCC4)CO3)C2)o1 ZINC000096208528 454305523 /nfs/dbraw/zinc/30/55/23/454305523.db2.gz KXEZBGISYPFPTD-PMACEKPBSA-N 0 3 349.471 3.155 40 0 EGABHN O=C(c1cccc(CNCC2=Cc3ccccc3OC2)c1)N1CCCC1 ZINC000078979835 454348028 /nfs/dbraw/zinc/34/80/28/454348028.db2.gz JSTMDVUDWZOUEY-UHFFFAOYSA-N 0 3 348.446 3.488 40 0 EGABHN Cc1noc(C)c1CC(=O)OC1CCN(Cc2ccsc2)CC1 ZINC000096442746 454350617 /nfs/dbraw/zinc/35/06/17/454350617.db2.gz MOODJXWSAXRPGD-UHFFFAOYSA-N 0 3 334.441 3.103 40 0 EGABHN Cc1cc(NC(=S)NC2CCN(C)CC2)ccc1Br ZINC000063142632 454394376 /nfs/dbraw/zinc/39/43/76/454394376.db2.gz PGQNTYDQAPBZTH-UHFFFAOYSA-N 0 3 342.306 3.138 40 0 EGABHN CN1CCC(N(Cc2ccco2)C(=O)c2cc3ccccn3c2)CC1 ZINC000074429025 454579455 /nfs/dbraw/zinc/57/94/55/454579455.db2.gz IHTXNVNREOYDRB-UHFFFAOYSA-N 0 3 337.423 3.269 40 0 EGABHN CN(C)C(=O)NC1CC2(C1)CCN(Cc1cccc(Cl)c1)CC2 ZINC000108532371 454801710 /nfs/dbraw/zinc/80/17/10/454801710.db2.gz IEQMCPWIQIIWNK-UHFFFAOYSA-N 0 3 335.879 3.356 40 0 EGABHN C[C@H](NC[C@@]1(O)CCCc2ccccc21)c1ccc([S@@](C)=O)cc1 ZINC000110687326 454851236 /nfs/dbraw/zinc/85/12/36/454851236.db2.gz BJURMEUUUOGMOP-CCQPRUGESA-N 0 3 343.492 3.299 40 0 EGABHN COC(=O)c1cc(CNC[C@@H]2CCO[C@H]2c2ccccc2)oc1C ZINC000192039005 455546351 /nfs/dbraw/zinc/54/63/51/455546351.db2.gz FZMNTLRMQJAOLV-YJBOKZPZSA-N 0 3 329.396 3.242 40 0 EGABHN CN(Cc1ccco1)[C@@H]1CCC[C@@H]2CN(C(=O)c3ccccn3)C[C@@H]21 ZINC000248140300 455687509 /nfs/dbraw/zinc/68/75/09/455687509.db2.gz TVANRJKGPVDAOX-HHXXYDBFSA-N 0 3 339.439 3.047 40 0 EGABHN C[C@@H]1CN(c2nccc(CN3CCC[C@@H]4CCCC[C@H]43)n2)C[C@@H](C)O1 ZINC000253603297 455854590 /nfs/dbraw/zinc/85/45/90/455854590.db2.gz JSRKLFWAMGIZPM-VXIBKDFQSA-N 0 3 344.503 3.245 40 0 EGABHN Clc1cc(Cl)cc(CCN2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000194609624 455864257 /nfs/dbraw/zinc/86/42/57/455864257.db2.gz KBRHPMCEPPKLKB-HNNXBMFYSA-N 0 3 343.298 3.190 40 0 EGABHN Cc1n[nH]cc1CN1CCOC[C@H](Cc2ccc3ccoc3c2)C1 ZINC000257291827 455883676 /nfs/dbraw/zinc/88/36/76/455883676.db2.gz QIUBXPSWBPUCBG-MRXNPFEDSA-N 0 3 325.412 3.155 40 0 EGABHN CN1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCCN2C(=O)c1ccccn1 ZINC000257289093 455883936 /nfs/dbraw/zinc/88/39/36/455883936.db2.gz PWYUEPDWOWOZPH-IHPCNDPISA-N 0 3 335.451 3.174 40 0 EGABHN CCC(=O)N1CC[C@@H](N[C@H](CN2CCC(C)CC2)c2cccs2)C1 ZINC000195560744 455984611 /nfs/dbraw/zinc/98/46/11/455984611.db2.gz REECEDYQQWGGIK-IAGOWNOFSA-N 0 3 349.544 3.122 40 0 EGABHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccc(O)cc2)C1 ZINC000195575885 455986904 /nfs/dbraw/zinc/98/69/04/455986904.db2.gz FKCMAHDEESQFKX-CQSZACIVSA-N 0 3 344.377 3.015 40 0 EGABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(F)c(C)c1 ZINC000225607832 456096983 /nfs/dbraw/zinc/09/69/83/456096983.db2.gz YIAROUQGBYFFDE-HNNXBMFYSA-N 0 3 342.480 3.067 40 0 EGABHN CN1CC[C@@H](COc2ccccn2)CC12CN(CC1CCCC1)C2 ZINC000585103476 459823961 /nfs/dbraw/zinc/82/39/61/459823961.db2.gz XHXBBTNTTXRYKH-GOSISDBHSA-N 0 3 329.488 3.047 40 0 EGABHN COc1cccc(CN[C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)c1 ZINC000585288627 459833508 /nfs/dbraw/zinc/83/35/08/459833508.db2.gz FYFNRVPXEJAUTB-XUVXKRRUSA-N 0 3 345.414 3.285 40 0 EGABHN CN(CC1CCN(C)CC1)C(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000077611925 522660460 /nfs/dbraw/zinc/66/04/60/522660460.db2.gz SAZINDBTUUMOLD-SJORKVTESA-N 0 3 335.879 3.179 40 0 EGABHN CCc1nc2c(s1)[C@H](N[C@@H]1CCN(c3ncccc3F)C1)CCC2 ZINC000168175180 529747739 /nfs/dbraw/zinc/74/77/39/529747739.db2.gz ZSFCETMPHHSSMS-TZMCWYRMSA-N 0 3 346.475 3.486 40 0 EGABHN CCN(CC)CCOC(=O)C(OC)(c1ccccc1)c1ccccc1 ZINC000001608960 209766688 /nfs/dbraw/zinc/76/66/88/209766688.db2.gz SXKHPSYRYFKZHD-UHFFFAOYSA-N 0 3 341.451 3.462 40 0 EGABHN CN(C)CCN(C(=O)c1csc(Br)c1)C1CCCC1 ZINC000037846257 213170546 /nfs/dbraw/zinc/17/05/46/213170546.db2.gz ZKGFCTMWGRFTGS-UHFFFAOYSA-N 0 3 345.306 3.457 40 0 EGABHN Cc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](CN3CCOCC3)C=C2C)o1 ZINC000035442627 213029372 /nfs/dbraw/zinc/02/93/72/213029372.db2.gz NGJAWEFYHVZSSI-BZSNNMDCSA-N 0 3 333.476 3.107 40 0 biogenic,in-vitro EGABHN COc1ccc(CNCc2cc(-c3ccccc3)cn3nnnc23)cc1 ZINC000072347587 216160922 /nfs/dbraw/zinc/16/09/22/216160922.db2.gz BHELYMTYGSDHQK-UHFFFAOYSA-N 0 3 345.406 3.090 40 0 EGABHN c1cncc(Oc2nccnc2[C@H]2CCCN(C3CCOCC3)C2)c1 ZINC000072384252 216185077 /nfs/dbraw/zinc/18/50/77/216185077.db2.gz GUWHMBUXCIMZMS-HNNXBMFYSA-N 0 3 340.427 3.022 40 0 EGABHN CC1CCN(Cc2cc(-c3ccc(F)cc3)cn3nnnc23)CC1 ZINC000072392333 216191535 /nfs/dbraw/zinc/19/15/35/216191535.db2.gz NWPJOBDVYRPGQZ-UHFFFAOYSA-N 0 3 325.391 3.162 40 0 EGABHN C[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1ccc(-c2cncnc2)cc1 ZINC000073411631 216383944 /nfs/dbraw/zinc/38/39/44/216383944.db2.gz QSXVXFSKBQSHQW-KGLIPLIRSA-N 0 3 326.444 3.097 40 0 EGABHN CN(C)[C@@H](CNCC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1 ZINC000022029948 212272158 /nfs/dbraw/zinc/27/21/58/212272158.db2.gz WDOOJNNTIMLENV-FQEVSTJZSA-N 0 3 337.467 3.006 40 0 EGABHN Cc1cccc(N2CCC[C@H](N(C)C(=O)c3[nH]nc4ccccc43)C2)n1 ZINC000257210410 244149287 /nfs/dbraw/zinc/14/92/87/244149287.db2.gz BUMMAVSAQGEONB-HNNXBMFYSA-N 0 3 349.438 3.007 40 0 EGABHN Cc1ncc(CN2CCC(c3ccc4c(C)nn(C)c4n3)CC2)s1 ZINC000019744791 212060645 /nfs/dbraw/zinc/06/06/45/212060645.db2.gz IOIBYGKTEWRLSM-UHFFFAOYSA-N 0 3 341.484 3.421 40 0 EGABHN CCNC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C)C1 ZINC000019528726 212039203 /nfs/dbraw/zinc/03/92/03/212039203.db2.gz WWNDVZCWVMALKD-HXUWFJFHSA-N 0 3 341.455 3.041 40 0 EGABHN Cc1cnc(-c2nc([C@@H]3CCCN(Cc4cccs4)C3)no2)cn1 ZINC000019239034 212008340 /nfs/dbraw/zinc/00/83/40/212008340.db2.gz HOGJHMAFALPUKW-CYBMUJFWSA-N 0 3 341.440 3.276 40 0 EGABHN Fc1ccc(CNC2CCN(CCc3ccncc3)CC2)c(F)c1 ZINC000078394255 217046836 /nfs/dbraw/zinc/04/68/36/217046836.db2.gz CXDGVZPJCJTAKA-UHFFFAOYSA-N 0 3 331.410 3.157 40 0 EGABHN Cc1occc1C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000079096169 217191316 /nfs/dbraw/zinc/19/13/16/217191316.db2.gz NIFRLIMTANQQDW-HNNXBMFYSA-N 0 3 342.439 3.218 40 0 EGABHN Cc1noc(C)c1[C@@H](C)NC(=O)NCCCN(C)Cc1ccccc1 ZINC000079305990 217205705 /nfs/dbraw/zinc/20/57/05/217205705.db2.gz CRYZXJZMXPKULD-CQSZACIVSA-N 0 3 344.459 3.174 40 0 EGABHN C[C@@H](NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nccs1 ZINC000079438485 217225349 /nfs/dbraw/zinc/22/53/49/217225349.db2.gz PMRWGBFRGXOQDE-OLZOCXBDSA-N 0 3 325.478 3.441 40 0 EGABHN C[S@@](=O)c1ccc(CNCc2ccc(Br)cc2)cc1 ZINC000080344447 217299510 /nfs/dbraw/zinc/29/95/10/217299510.db2.gz DECUXJSSJGLRTF-IBGZPJMESA-N 0 3 338.270 3.476 40 0 EGABHN Cc1cnc(-c2nc(C3CCN(Cc4cccs4)CC3)no2)cn1 ZINC000012337353 211351299 /nfs/dbraw/zinc/35/12/99/211351299.db2.gz WICGETXSOCJXJK-UHFFFAOYSA-N 0 3 341.440 3.276 40 0 EGABHN COc1ccc(C2(O)CCN(C[C@@H](O)c3ccc(C)cc3)CC2)cc1 ZINC000012292191 211334433 /nfs/dbraw/zinc/33/44/33/211334433.db2.gz JUVYGYQLFSRMOI-HXUWFJFHSA-N 0 3 341.451 3.021 40 0 EGABHN Cc1ccc([C@@H](O)CN2CCC(O)(c3ccc(F)cc3)CC2)cc1C ZINC000012292195 211334462 /nfs/dbraw/zinc/33/44/62/211334462.db2.gz FTIVGKMECRUEGM-FQEVSTJZSA-N 0 3 343.442 3.460 40 0 EGABHN COc1ccccc1CN1C[C@H]2CCC[C@@H](C1)C2(O)c1ccccn1 ZINC000012089059 211289776 /nfs/dbraw/zinc/28/97/76/211289776.db2.gz CPIROOGUEBTRPA-HTZLVSCSSA-N 0 3 338.451 3.210 40 0 EGABHN c1ccc(N2CCC(NCc3ccnc(OCC4CC4)c3)CC2)nc1 ZINC000095422230 218364438 /nfs/dbraw/zinc/36/44/38/218364438.db2.gz SNDMPZVMIZYJDW-UHFFFAOYSA-N 0 3 338.455 3.024 40 0 EGABHN Cc1ccc(C(C)C)c(OCC(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000171450832 144004217 /nfs/dbraw/zinc/00/42/17/144004217.db2.gz LLIWJLPDHUXADD-QGZVFWFLSA-N 0 3 330.472 3.194 40 0 EGABHN CC(C)n1cccc1CN[C@@H]1CCC(=O)N[C@H]1c1cccc(F)c1 ZINC000019454992 276085659 /nfs/dbraw/zinc/08/56/59/276085659.db2.gz XCCVXZCDDGYULO-MJGOQNOKSA-N 0 3 329.419 3.318 40 0 EGABHN CCO[C@H]1CC2(CCN([C@@H]3CCOC3)CC2)c2cc(OC)ccc21 ZINC000096241878 276485665 /nfs/dbraw/zinc/48/56/65/276485665.db2.gz TZRYPHVNMHINEB-BEFAXECRSA-N 0 3 331.456 3.299 40 0 EGABHN CCN(CC)CCOC(=O)[C@@H](c1ccccc1)C1(O)CCCCC1 ZINC000006382239 279107831 /nfs/dbraw/zinc/10/78/31/279107831.db2.gz KTWQAWSQSOISLN-GOSISDBHSA-N 0 3 333.472 3.350 40 0 EGABHN CCN(CC)CCOC(=O)[C@@](O)(c1ccccc1)[C@H]1C=CCCC1 ZINC000001710999 279107904 /nfs/dbraw/zinc/10/79/04/279107904.db2.gz HECLTPBVEVCPQT-AZUAARDMSA-N 0 3 331.456 3.116 40 0 EGABHN CCN(CC)CCOC(=O)[C@@H](c1ccccc1)[C@@H](O)C1=CCCC1 ZINC000001593587 279107965 /nfs/dbraw/zinc/10/79/65/279107965.db2.gz QEDNEDZUHNKWMR-OALUTQOASA-N 0 3 331.456 3.126 40 0 EGABHN O=C(c1ccc(Cl)s1)N1CCCSC[C@@H]1CN1CCCC1 ZINC000085473209 280184880 /nfs/dbraw/zinc/18/48/80/280184880.db2.gz LUPRMLRXTCZQLW-LBPRGKRZSA-N 0 3 344.933 3.445 40 0 EGABHN CN1CCC(N(Cc2ccccc2)C(=O)[C@@H]2CCCCS2)CC1 ZINC000390833117 324283117 /nfs/dbraw/zinc/28/31/17/324283117.db2.gz CHNFCSQOKJUOKH-SFHVURJKSA-N 0 3 332.513 3.395 40 0 EGABHN C[C@H](NC[C@@H](O)c1ccccc1F)c1cccc(-n2ccnc2)c1 ZINC000189900270 455251388 /nfs/dbraw/zinc/25/13/88/455251388.db2.gz VTOCZENKZMWWPM-IFXJQAMLSA-N 0 3 325.387 3.396 40 0 EGABHN C[C@@H](CN1CCCCC1)NC(=O)c1scnc1-c1ccccc1 ZINC000001611481 452670003 /nfs/dbraw/zinc/67/00/03/452670003.db2.gz UBUZGZJAMIFYKM-AWEZNQCLSA-N 0 3 329.469 3.414 40 0 EGABHN CSc1ncccc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000006946020 453009929 /nfs/dbraw/zinc/00/99/29/453009929.db2.gz AJGRXCORJUCTII-UHFFFAOYSA-N 0 3 341.480 3.198 40 0 EGABHN CCCCNCc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 ZINC000007261705 453052084 /nfs/dbraw/zinc/05/20/84/453052084.db2.gz VPEFPHYRMMZJFL-UHFFFAOYSA-N 0 3 345.395 3.410 40 0 EGABHN CC[C@H](CO)NCc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000008337075 453194170 /nfs/dbraw/zinc/19/41/70/453194170.db2.gz PUYTZHMEXBMUCK-MRXNPFEDSA-N 0 3 333.403 3.274 40 0 EGABHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccncc4)[C@H]3C=C12 ZINC000012664245 453388053 /nfs/dbraw/zinc/38/80/53/453388053.db2.gz AXMXPBSJTYIHAZ-WQEIZXBSSA-N 0 3 340.467 3.485 40 0 biogenic EGABHN COc1cc(CNC(C)(C)CO)ccc1OCc1cccc(C)c1 ZINC000016349243 453602269 /nfs/dbraw/zinc/60/22/69/453602269.db2.gz VLBRDWJFTSWOBC-UHFFFAOYSA-N 0 3 329.440 3.443 40 0 EGABHN Cc1ccc([C@H](O)CN2CCC(Oc3cccnc3)CC2)c(C)c1 ZINC000019132388 453654161 /nfs/dbraw/zinc/65/41/61/453654161.db2.gz LGCFFFCOYDXPAA-HXUWFJFHSA-N 0 3 326.440 3.275 40 0 EGABHN Cc1csc2nc(CN3CCC[C@@H]3Cc3ccccc3)cc(=O)n12 ZINC000025440488 453772838 /nfs/dbraw/zinc/77/28/38/453772838.db2.gz DRCNYXUFZAARHI-QGZVFWFLSA-N 0 3 339.464 3.272 40 0 EGABHN CN1C(=O)[C@H](c2ccccc2)C2(CCN(Cc3ccccc3)CC2)C1=O ZINC000039271123 453943559 /nfs/dbraw/zinc/94/35/59/453943559.db2.gz VWWROGPEPKDAAA-IBGZPJMESA-N 0 3 348.446 3.051 40 0 EGABHN Cc1ccsc1[C@@H](C)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000095422329 454208388 /nfs/dbraw/zinc/20/83/88/454208388.db2.gz CUIUHKVIQKFLJP-CYBMUJFWSA-N 0 3 338.498 3.303 40 0 EGABHN COc1cccc(NCc2n[nH]c([C@H](N)c3ccc(Cl)cc3)n2)c1 ZINC000095533978 454230311 /nfs/dbraw/zinc/23/03/11/454230311.db2.gz CLRXRFBUEBUBQG-MRXNPFEDSA-N 0 3 343.818 3.127 40 0 EGABHN COc1ccc(N[C@H]2CO[C@@]3(CCN(Cc4ccco4)C3)C2)cc1 ZINC000096047600 454270247 /nfs/dbraw/zinc/27/02/47/454270247.db2.gz PLQCHCGIHJJJDF-APWZRJJASA-N 0 3 328.412 3.134 40 0 EGABHN O=C1N(Cc2cccc(F)c2)CC[C@]12CCN(Cc1ccoc1)C2 ZINC000096050613 454273110 /nfs/dbraw/zinc/27/31/10/454273110.db2.gz KLQBEMKVNCVWMV-IBGZPJMESA-N 0 3 328.387 3.043 40 0 EGABHN Fc1ccc(CN2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096055150 454275040 /nfs/dbraw/zinc/27/50/40/454275040.db2.gz SKEOIBJYTBPYOI-UYAOXDASSA-N 0 3 344.405 3.302 40 0 EGABHN Cc1ccc(CN2CCC3(CC2)OCC(=O)N(CC2CC2)[C@H]3C)s1 ZINC000096062244 454277687 /nfs/dbraw/zinc/27/76/87/454277687.db2.gz DVDJSQHSFZOEJZ-HNNXBMFYSA-N 0 3 348.512 3.048 40 0 EGABHN Cc1cccc(CN2CCC3(CO[C@@H](COCC4CC4)C3)CC2)n1 ZINC000096105968 454283918 /nfs/dbraw/zinc/28/39/18/454283918.db2.gz FXKMWVPMCVFIAC-LJQANCHMSA-N 0 3 330.472 3.188 40 0 EGABHN Cc1cccc(CO[C@H]2COC3(C2)CCN(Cc2ccoc2)CC3)n1 ZINC000096106802 454284995 /nfs/dbraw/zinc/28/49/95/454284995.db2.gz GWVRYVUPPCFLGV-LJQANCHMSA-N 0 3 342.439 3.323 40 0 EGABHN Cc1noc(C)c1CN1CC[C@@]2(C1)CCCN(Cc1nccs1)C2 ZINC000096158082 454294454 /nfs/dbraw/zinc/29/44/54/454294454.db2.gz JXWJFGCQYHCASG-SFHVURJKSA-N 0 3 346.500 3.236 40 0 EGABHN Cc1ccc(CN2CCC3(CC2)Cc2ccccc2CN(C)C3=O)o1 ZINC000096161299 454295952 /nfs/dbraw/zinc/29/59/52/454295952.db2.gz PUSLSKICUBRLQC-UHFFFAOYSA-N 0 3 338.451 3.385 40 0 EGABHN Cc1cnc(N2CC[C@]3(C2)CCCCN3Cc2cccc(C)n2)nc1 ZINC000096203150 454304087 /nfs/dbraw/zinc/30/40/87/454304087.db2.gz XSGSLHAJHRRQHZ-FQEVSTJZSA-N 0 3 337.471 3.123 40 0 EGABHN c1csc(CN2CC[C@H]3OCC[C@@]3(CCNc3ncccn3)C2)c1 ZINC000096206677 454304643 /nfs/dbraw/zinc/30/46/43/454304643.db2.gz AYNJAYCLNMSNIV-AEFFLSMTSA-N 0 3 344.484 3.021 40 0 EGABHN CC(C)C(=O)N1CC[C@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216458 454307671 /nfs/dbraw/zinc/30/76/71/454307671.db2.gz UUQYVCGNFSXBMJ-HXUWFJFHSA-N 0 3 330.472 3.036 40 0 EGABHN Cc1ccc(CN2CC[C@]3(CC(=O)N(c4ccccn4)C3)C2)s1 ZINC000096239145 454310855 /nfs/dbraw/zinc/31/08/55/454310855.db2.gz KOOAVHGAMYWYIA-SFHVURJKSA-N 0 3 327.453 3.081 40 0 EGABHN Cc1nc(CN2CC[C@@]3(C2)CN(CC2CC2)CCC3(F)F)cs1 ZINC000096239794 454311463 /nfs/dbraw/zinc/31/14/63/454311463.db2.gz DKKBWEQEWQMDDD-INIZCTEOSA-N 0 3 341.471 3.395 40 0 EGABHN COc1ccsc1C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000096414019 454330402 /nfs/dbraw/zinc/33/04/02/454330402.db2.gz BFWXVDDRHLYWSN-UHFFFAOYSA-N 0 3 334.441 3.258 40 0 EGABHN CN(C)C[C@H]1CSCCCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000090699897 454337064 /nfs/dbraw/zinc/33/70/64/454337064.db2.gz JLASSEGDBVRYQH-AWEZNQCLSA-N 0 3 346.418 3.215 40 0 EGABHN Cc1nccn1CCCN(C)Cc1cc(=O)oc2cc(C)ccc12 ZINC000096489097 454368851 /nfs/dbraw/zinc/36/88/51/454368851.db2.gz ANSOOMIMEOGEIE-UHFFFAOYSA-N 0 3 325.412 3.128 40 0 EGABHN CCOc1cccc2cc([C@@H](C)N[C@H]3CCc4nc(C)nn4C3)oc21 ZINC000096493385 454369456 /nfs/dbraw/zinc/36/94/56/454369456.db2.gz ZMXBBGGDQWLBON-DOMZBBRYSA-N 0 3 340.427 3.397 40 0 EGABHN CCOc1c(F)cccc1C(=O)N(C1CC1)C1CCN(CC)CC1 ZINC000074722776 454624959 /nfs/dbraw/zinc/62/49/59/454624959.db2.gz ULDBWUZVRLIGSU-UHFFFAOYSA-N 0 3 334.435 3.313 40 0 EGABHN Cc1ccc(CN2CC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)s1 ZINC000107785611 454772972 /nfs/dbraw/zinc/77/29/72/454772972.db2.gz LTLFTHGJBMNQKT-SJLPKXTDSA-N 0 3 330.453 3.264 40 0 EGABHN CCN1CC[C@H](N(C)C(=O)C[C@H](C)C(=O)c2cccc(F)c2)[C@@H](C)C1 ZINC000248013812 455670299 /nfs/dbraw/zinc/67/02/99/455670299.db2.gz CPKYYEDSOCVBCR-MPGHIAIKSA-N 0 3 348.462 3.223 40 0 EGABHN CNc1cc(C)nc([C@H]2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)c1 ZINC000257309964 455889059 /nfs/dbraw/zinc/88/90/59/455889059.db2.gz UDCINRZJUBHEIA-ZDUSSCGKSA-N 0 3 341.459 3.082 40 0 EGABHN CNc1cnc(C[C@H]2CCCN(Cc3ccnn3C(C)C)CC2)cn1 ZINC000257329581 455893180 /nfs/dbraw/zinc/89/31/80/455893180.db2.gz XKOSGBALKXNPSP-INIZCTEOSA-N 0 3 342.491 3.141 40 0 EGABHN CC(=O)NCc1cc([C@@H]2CCCN2Cc2sccc2C)ccn1 ZINC000257344120 455896810 /nfs/dbraw/zinc/89/68/10/455896810.db2.gz ZVULTNHMEKDYID-KRWDZBQOSA-N 0 3 329.469 3.425 40 0 EGABHN CCC(=O)N1CC[C@@H](N[C@@H](CN2CCC(C)CC2)c2cccs2)C1 ZINC000195560739 455984924 /nfs/dbraw/zinc/98/49/24/455984924.db2.gz REECEDYQQWGGIK-SJORKVTESA-N 0 3 349.544 3.122 40 0 EGABHN CCCC[C@@H](C)C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000225693121 456104311 /nfs/dbraw/zinc/10/43/11/456104311.db2.gz LBPGTGXYRCEKLJ-WBVHZDCISA-N 0 3 345.487 3.149 40 0 EGABHN Cc1ncc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c(C2CC2)n1 ZINC000281390661 456220085 /nfs/dbraw/zinc/22/00/85/456220085.db2.gz OYZIRKAUNSZXPM-DJJJIMSYSA-N 0 3 338.455 3.084 40 0 EGABHN c1coc(CN2CC[C@]3(C2)CN(Cc2cccnc2)c2cccnc23)c1 ZINC000306143743 456569682 /nfs/dbraw/zinc/56/96/82/456569682.db2.gz YLFNFIALNDUYOC-NRFANRHFSA-N 0 3 346.434 3.234 40 0 EGABHN Cc1ccc(C)c(CN2CCOC[C@]3(CC(=O)N(CC(C)C)C3)C2)c1 ZINC000585103946 459824430 /nfs/dbraw/zinc/82/44/30/459824430.db2.gz HKKWHYZTWIVVSY-OAQYLSRUSA-N 0 3 344.499 3.010 40 0 EGABHN Fc1ccc(-n2nccc2CNCCCO[C@@H]2CCCCO2)cc1 ZINC000585141249 459829773 /nfs/dbraw/zinc/82/97/73/459829773.db2.gz SBYNTGKWAOOAPZ-GOSISDBHSA-N 0 3 333.407 3.034 40 0 EGABHN COc1ccc(CN[C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)cc1 ZINC000585288533 459833438 /nfs/dbraw/zinc/83/34/38/459833438.db2.gz CZUTZKNXDDAAQJ-XUVXKRRUSA-N 0 3 327.424 3.146 40 0 EGABHN Cc1ccc(CC(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)cn1 ZINC000129660715 533751879 /nfs/dbraw/zinc/75/18/79/533751879.db2.gz SWSJASRWIZTGPB-APWZRJJASA-N 0 3 343.496 3.193 40 0 EGABHN COc1ccccc1NC(=O)C1CCN(CCOCC(C)C)CC1 ZINC000225721500 537080590 /nfs/dbraw/zinc/08/05/90/537080590.db2.gz MYUBHBVTXNWLNL-UHFFFAOYSA-N 0 3 334.460 3.018 40 0 EGABHN COc1cc(CNCCN(C)C)ccc1OCc1cccc(C)c1 ZINC000023251060 212365427 /nfs/dbraw/zinc/36/54/27/212365427.db2.gz AKAMJBCDWVWXKW-UHFFFAOYSA-N 0 3 328.456 3.234 40 0 EGABHN c1ccc(COc2ccccc2CNCCCN2CCOCC2)cc1 ZINC000022074017 212275582 /nfs/dbraw/zinc/27/55/82/212275582.db2.gz RWDLQVRSOIZJJP-UHFFFAOYSA-N 0 3 340.467 3.078 40 0 EGABHN Cc1cn(C)c([C@@H]2CCN(Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257234509 244223246 /nfs/dbraw/zinc/22/32/46/244223246.db2.gz GTVFQBQCPVFPHP-GOSISDBHSA-N 0 3 333.439 3.175 40 0 EGABHN COc1ccccc1CN1CCC[C@H](c2nn(C)c3ncccc23)C1 ZINC000019289503 212011055 /nfs/dbraw/zinc/01/10/55/212011055.db2.gz YNWXYVMAPVIANK-INIZCTEOSA-N 0 3 336.439 3.357 40 0 EGABHN COc1ccc(OC(C)(C)C(=O)NC(C)(C)CN2CCCCC2)cc1 ZINC000019084910 212000368 /nfs/dbraw/zinc/00/03/68/212000368.db2.gz SFXUZGOJOIKEBT-UHFFFAOYSA-N 0 3 348.487 3.233 40 0 EGABHN Cc1ccc([C@]2(O)CCC[C@@H]3CN(Cc4cnc(C)nc4)C[C@@H]32)cc1 ZINC000012186321 211312928 /nfs/dbraw/zinc/31/29/28/211312928.db2.gz LOEHXFLWUKAUCB-HLAWJBBLSA-N 0 3 337.467 3.213 40 0 EGABHN CN(CC1=Cc2cc(Br)ccc2OC1)C[C@H]1CCOC1 ZINC000093840203 218252812 /nfs/dbraw/zinc/25/28/12/218252812.db2.gz AJMFJUWBZORUFA-GFCCVEGCSA-N 0 3 338.245 3.193 40 0 EGABHN C[C@H](N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cnccn1 ZINC000095422511 218364991 /nfs/dbraw/zinc/36/49/91/218364991.db2.gz KNNJMFUADCRUNG-JSGCOSHPSA-N 0 3 336.361 3.425 40 0 EGABHN CC(=O)N1CCCc2cc([C@@H](O)CN(C)Cc3ccccc3)ccc21 ZINC000036741196 132393093 /nfs/dbraw/zinc/39/30/93/132393093.db2.gz BYWIDFVDPXZISY-NRFANRHFSA-N 0 3 338.451 3.151 40 0 EGABHN CO[C@H]1CC2(CCN(Cc3cnn(C)c3)CC2)c2ccc(C)cc21 ZINC000096079424 274078837 /nfs/dbraw/zinc/07/88/37/274078837.db2.gz UKWZIAZPPGWCDA-IBGZPJMESA-N 0 3 325.456 3.354 40 0 EGABHN CCN(CC)CCOC(=O)[C@](O)(c1ccccc1)[C@@H]1C=CCCC1 ZINC000001710998 276099606 /nfs/dbraw/zinc/09/96/06/276099606.db2.gz HECLTPBVEVCPQT-QUCCMNQESA-N 0 3 331.456 3.116 40 0 EGABHN CC(=O)Nc1cc(NC(=O)[C@@H](C2CC2)N2CCCC2)ccc1Cl ZINC000097376446 323215397 /nfs/dbraw/zinc/21/53/97/323215397.db2.gz BWMCTTMUEOFVQV-MRXNPFEDSA-N 0 3 335.835 3.111 40 0 EGABHN O=C(SCCN1CCCC1)[C@](O)(c1ccccc1)C1CCCC1 ZINC000001710796 452675255 /nfs/dbraw/zinc/67/52/55/452675255.db2.gz LFSDSEBODSFFKT-IBGZPJMESA-N 0 3 333.497 3.420 40 0 EGABHN CCCC/C=C\[C@@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccccc1 ZINC000005954641 452912325 /nfs/dbraw/zinc/91/23/25/452912325.db2.gz JKPUZMZDECKYBD-AASOGXKLSA-N 0 3 343.467 3.258 40 0 EGABHN CCN(CC)CCNS(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000007612569 453094483 /nfs/dbraw/zinc/09/44/83/453094483.db2.gz UMRPNHODZCZVIH-UHFFFAOYSA-N 0 3 338.517 3.354 40 0 EGABHN S=C(NCc1cccs1)NC1CCN(Cc2ccccc2)CC1 ZINC000007982962 453144738 /nfs/dbraw/zinc/14/47/38/453144738.db2.gz HSEROZWMTZIODW-UHFFFAOYSA-N 0 3 345.537 3.377 40 0 EGABHN CCOc1cc(CNC(C)(C)CO)cc(Br)c1OCC ZINC000008253803 453181809 /nfs/dbraw/zinc/18/18/09/453181809.db2.gz TXWXKXGPKMXZEI-UHFFFAOYSA-N 0 3 346.265 3.107 40 0 EGABHN COc1cccc(CNC[C@@H](C)O)c1OCc1ccccc1Cl ZINC000008535104 453213371 /nfs/dbraw/zinc/21/33/71/453213371.db2.gz VQPGLCRTSCHJNK-CYBMUJFWSA-N 0 3 335.831 3.398 40 0 EGABHN CC[C@H]1CCCCN1CC(=O)N1CCC(O)(c2ccccc2C)CC1 ZINC000013996268 453495703 /nfs/dbraw/zinc/49/57/03/453495703.db2.gz PXKFGCBOVWLNJR-SFHVURJKSA-N 0 3 344.499 3.070 40 0 EGABHN O=C(CCN1CCCCC1)COc1ccc(Br)cc1 ZINC000016428728 453605889 /nfs/dbraw/zinc/60/58/89/453605889.db2.gz HDQVFCQOLWSTKQ-UHFFFAOYSA-N 0 3 326.234 3.273 40 0 EGABHN O=C(NCCOc1ccccc1)c1ccc(CN2CCCCC2)cc1 ZINC000017850320 453639585 /nfs/dbraw/zinc/63/95/85/453639585.db2.gz IHAKFQFBTCKHJC-UHFFFAOYSA-N 0 3 338.451 3.481 40 0 EGABHN Cc1ccsc1CN1CCC[C@@H](c2noc(-c3cnccn3)n2)C1 ZINC000019238635 453655136 /nfs/dbraw/zinc/65/51/36/453655136.db2.gz MYHDALXXXJETIC-CYBMUJFWSA-N 0 3 341.440 3.276 40 0 EGABHN COc1ccc(OC)c([C@@H](C)NC(=O)CN(CC(C)C)C2CC2)c1 ZINC000027110467 453810671 /nfs/dbraw/zinc/81/06/71/453810671.db2.gz YNSXITYDSVONQS-CQSZACIVSA-N 0 3 334.460 3.001 40 0 EGABHN COc1ccccc1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000031662748 453851259 /nfs/dbraw/zinc/85/12/59/453851259.db2.gz AZAKHXYGBROILO-UHFFFAOYSA-N 0 3 339.439 3.265 40 0 EGABHN C[C@H](c1ccccc1)N(CC(=O)NC1CCOCC1)CC1CCC1 ZINC000077372236 454098256 /nfs/dbraw/zinc/09/82/56/454098256.db2.gz FLZBDCNITGVPSB-MRXNPFEDSA-N 0 3 330.472 3.145 40 0 EGABHN O=C(Nc1cnn(CCN2CCCCC2)c1)c1cccc2cc[nH]c21 ZINC000089433221 454148825 /nfs/dbraw/zinc/14/88/25/454148825.db2.gz MSBXWYCEBXVZLV-UHFFFAOYSA-N 0 3 337.427 3.103 40 0 EGABHN COc1ccc(-c2nc([C@H](N)c3ccc(Cl)cc3)n[nH]2)cc1OC ZINC000095534006 454230791 /nfs/dbraw/zinc/23/07/91/454230791.db2.gz HOAMZSMUICWCKE-OAHLLOKOSA-N 0 3 344.802 3.190 40 0 EGABHN Cc1ccccc1OCCCN(C)C[C@@H](O)COc1ccccc1C ZINC000059384299 454258335 /nfs/dbraw/zinc/25/83/35/454258335.db2.gz IPHIOKCINSCLRD-LJQANCHMSA-N 0 3 343.467 3.444 40 0 EGABHN COc1ccc(N[C@@H]2CO[C@]3(CCN(Cc4ccc(C)o4)C3)C2)cc1 ZINC000096047621 454269633 /nfs/dbraw/zinc/26/96/33/454269633.db2.gz RYDSDZICONIUEZ-FXAWDEMLSA-N 0 3 342.439 3.442 40 0 EGABHN Fc1cccnc1N[C@@H]1CO[C@@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096047637 454269698 /nfs/dbraw/zinc/26/96/98/454269698.db2.gz OSNRCXSBVAZSAT-YOEHRIQHSA-N 0 3 333.432 3.128 40 0 EGABHN Cc1occc1C(=O)N1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC000096046516 454270159 /nfs/dbraw/zinc/27/01/59/454270159.db2.gz WZAQQILBESATOD-UHFFFAOYSA-N 0 3 339.439 3.111 40 0 EGABHN O=C(c1cscn1)N1CCC2(C1)CCN(Cc1ccsc1)CC2 ZINC000096046538 454270296 /nfs/dbraw/zinc/27/02/96/454270296.db2.gz ZVLWNLZPXGGLDF-UHFFFAOYSA-N 0 3 347.509 3.333 40 0 EGABHN O=C1N(c2ccsc2)CC[C@@]12CCCN(Cc1ccncc1)C2 ZINC000096048751 454271206 /nfs/dbraw/zinc/27/12/06/454271206.db2.gz YFJNZGRRUHFXTM-GOSISDBHSA-N 0 3 327.453 3.162 40 0 EGABHN Cn1ccc(C(=O)N[C@H]2CCC23CCN(Cc2ccsc2)CC3)c1 ZINC000096051691 454272153 /nfs/dbraw/zinc/27/21/53/454272153.db2.gz ZGSQRHMBBDNECY-KRWDZBQOSA-N 0 3 343.496 3.261 40 0 EGABHN Cc1cccc(CN2CC[C@]3(CCN(Cc4ccncc4)C3)C2=O)c1 ZINC000096050579 454272780 /nfs/dbraw/zinc/27/27/80/454272780.db2.gz SQLIVIXTUBQYTF-NRFANRHFSA-N 0 3 335.451 3.015 40 0 EGABHN Cn1ccc(C(=O)N[C@H]2CCC23CCN(Cc2cccs2)CC3)c1 ZINC000096051687 454273062 /nfs/dbraw/zinc/27/30/62/454273062.db2.gz INNMIXMGAACUDH-KRWDZBQOSA-N 0 3 343.496 3.261 40 0 EGABHN Fc1cccc(O[C@H]2C[C@H]3CN(Cc4ccsc4)CCN3C2)c1 ZINC000096055143 454274788 /nfs/dbraw/zinc/27/47/88/454274788.db2.gz AYIWWODBHTWUJB-WMZOPIPTSA-N 0 3 332.444 3.225 40 0 EGABHN O=C(C1CC1)N1CCC2(CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000096063002 454278468 /nfs/dbraw/zinc/27/84/68/454278468.db2.gz BYFBHSHQRWPJBJ-UHFFFAOYSA-N 0 3 330.447 3.440 40 0 EGABHN CCOC[C@@H]1COCCC12CCN(Cc1cccc(OC)c1)CC2 ZINC000096106418 454284293 /nfs/dbraw/zinc/28/42/93/454284293.db2.gz HYIWHGIPJOKTOR-GOSISDBHSA-N 0 3 333.472 3.350 40 0 EGABHN CCn1cncc1CN1C[C@H]2CCC[C@](O)(c3ccc(C)cc3)[C@@H]2C1 ZINC000072340454 454294493 /nfs/dbraw/zinc/29/44/93/454294493.db2.gz NXAYDVCQUNHBFR-UIFIKXQLSA-N 0 3 339.483 3.331 40 0 EGABHN c1csc(CN2CC[C@@H]3O[C@@H](COCc4ccncc4)CC[C@@H]32)c1 ZINC000096186777 454299122 /nfs/dbraw/zinc/29/91/22/454299122.db2.gz PJCISBWYHOHDJT-NEWSRXKRSA-N 0 3 344.480 3.482 40 0 EGABHN Cc1ccc(CN2CCC3(CC2)NC(=O)C[C@@H]3c2ccncc2)s1 ZINC000096199910 454303004 /nfs/dbraw/zinc/30/30/04/454303004.db2.gz CVBQGGBFGYTDCM-QGZVFWFLSA-N 0 3 341.480 3.090 40 0 EGABHN Cc1cccc(CN2CCC[C@]3(CCN(C(=O)CC4CC4)C3)C2)n1 ZINC000096216252 454305216 /nfs/dbraw/zinc/30/52/16/454305216.db2.gz KWDZFEVSJKNJRJ-FQEVSTJZSA-N 0 3 327.472 3.005 40 0 EGABHN O=C(NC1CCN(C2CC2)CC1)c1cc(C2CC2)nc2ccccc21 ZINC000096402291 454321297 /nfs/dbraw/zinc/32/12/97/454321297.db2.gz BQEBUXWXZHZFFA-UHFFFAOYSA-N 0 3 335.451 3.469 40 0 EGABHN CCc1ocnc1C(=O)OC[C@H]1CCN(C)[C@@H]1c1ccc(OC)cc1 ZINC000096420390 454335615 /nfs/dbraw/zinc/33/56/15/454335615.db2.gz CKKHVRQLKVUALX-RDTXWAMCSA-N 0 3 344.411 3.095 40 0 EGABHN C[C@@H]1CN(CCC2CCN(C(=O)/C=C/c3ccco3)CC2)C[C@@H](C)O1 ZINC000096456019 454358599 /nfs/dbraw/zinc/35/85/99/454358599.db2.gz GTMICELXFRGYQZ-SDKBWNRFSA-N 0 3 346.471 3.031 40 0 EGABHN COc1ccccc1-c1nnc([C@H]2CCN(Cc3ccncc3)C2)o1 ZINC000049170043 454537022 /nfs/dbraw/zinc/53/70/22/454537022.db2.gz KMIVOUZHWJICEI-HNNXBMFYSA-N 0 3 336.395 3.130 40 0 biogenic,in-vitro EGABHN Cc1ccc(CN2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)o1 ZINC000107746888 454772377 /nfs/dbraw/zinc/77/23/77/454772377.db2.gz JJGSEOORIJZVGU-LPHOPBHVSA-N 0 3 330.403 3.065 40 0 EGABHN CCc1nc(C)c([C@@H](C)NCCC(=O)Nc2ccc(C)cn2)s1 ZINC000167093068 454918564 /nfs/dbraw/zinc/91/85/64/454918564.db2.gz UAFBQKAKCYKKMB-GFCCVEGCSA-N 0 3 332.473 3.397 40 0 EGABHN O=C(Nc1cccc(N2CCCC2)c1)N1CCC(N2CC=CC2)CC1 ZINC000155822373 455049593 /nfs/dbraw/zinc/04/95/93/455049593.db2.gz CTISQOXHBGGTCT-UHFFFAOYSA-N 0 3 340.471 3.155 40 0 EGABHN O[C@H](CN1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1)c1ccccc1 ZINC000253420758 455844276 /nfs/dbraw/zinc/84/42/76/455844276.db2.gz LMNXNOYCKNMGJU-UONOGXRCSA-N 0 3 339.361 3.342 40 0 EGABHN Cc1cc(Cl)ccc1CN1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000195566226 455986587 /nfs/dbraw/zinc/98/65/87/455986587.db2.gz LYZKEFOBWGMYIT-NVXWUHKLSA-N 0 3 333.863 3.328 40 0 EGABHN CC(C)(CN[C@H](c1ccc(F)cc1)c1cccnc1)N1CCOCC1 ZINC000225577838 456095239 /nfs/dbraw/zinc/09/52/39/456095239.db2.gz LBIYZAPESWPVSI-LJQANCHMSA-N 0 3 343.446 3.011 40 0 EGABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(F)c(C)c1 ZINC000225607813 456097656 /nfs/dbraw/zinc/09/76/56/456097656.db2.gz YIAROUQGBYFFDE-OAHLLOKOSA-N 0 3 342.480 3.067 40 0 EGABHN Cn1cncc1CN[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000188936037 456176722 /nfs/dbraw/zinc/17/67/22/456176722.db2.gz BLZOSYDBRPLNQZ-LBPRGKRZSA-N 0 3 325.243 3.095 40 0 EGABHN c1ccc(Nc2ncc3c(n2)[C@]2(CCN(CC4CC4)C2)COC3)cc1 ZINC000306138327 456567272 /nfs/dbraw/zinc/56/72/72/456567272.db2.gz RUYRGWSEYQBUAL-FQEVSTJZSA-N 0 3 336.439 3.104 40 0 EGABHN CN(C)CCn1cc(NC(=O)c2ccc(Oc3ccccc3)o2)cn1 ZINC000673990272 548666830 /nfs/dbraw/zinc/66/68/30/548666830.db2.gz WYRULIGLASZULT-UHFFFAOYSA-N 0 3 340.383 3.082 40 0 EGABHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccccn4)[C@H]3C=C12 ZINC000004000030 210098472 /nfs/dbraw/zinc/09/84/72/210098472.db2.gz OGEHVGRPFFETIF-MALKTNSBSA-N 0 3 340.467 3.485 40 0 biogenic EGABHN Fc1cnc(N2CCC[C@@]3(CCN(Cc4ccsc4)C3)C2)nc1 ZINC000096047178 283033149 /nfs/dbraw/zinc/03/31/49/283033149.db2.gz SDZFJYWQEJANQT-KRWDZBQOSA-N 0 3 332.448 3.170 40 0 EGABHN C[C@@H](CCO)N1CCC(c2csc(Nc3ccccn3)n2)CC1 ZINC000072363701 216169847 /nfs/dbraw/zinc/16/98/47/216169847.db2.gz FVZIQJLOXATNPK-ZDUSSCGKSA-N 0 3 332.473 3.232 40 0 EGABHN COc1ccc(CN2CC[C@@H](c3nc(-c4ccncc4)no3)C2)cc1 ZINC000072389906 216190082 /nfs/dbraw/zinc/19/00/82/216190082.db2.gz CNGHYAQGIRIKFZ-MRXNPFEDSA-N 0 3 336.395 3.130 40 0 EGABHN C[C@H]1CCCCN1Cc1cc(-c2ccc(F)cc2)cn2nnnc12 ZINC000072392330 216191073 /nfs/dbraw/zinc/19/10/73/216191073.db2.gz BHLAEYKCMVHKLF-ZDUSSCGKSA-N 0 3 325.391 3.305 40 0 EGABHN CCOC(=O)[C@@]1(Cc2cc(-c3cccc(C)c3)no2)CCCNC1 ZINC000072394516 216192764 /nfs/dbraw/zinc/19/27/64/216192764.db2.gz ZQHHANXGKBZVHR-LJQANCHMSA-N 0 3 328.412 3.125 40 0 EGABHN Cc1ccc(CNC(=O)N(CCN(C)C)Cc2ccccc2)cc1F ZINC000023174784 212357812 /nfs/dbraw/zinc/35/78/12/212357812.db2.gz IKROJDLTEXCIGY-UHFFFAOYSA-N 0 3 343.446 3.408 40 0 EGABHN CCCc1cc(C(=O)N2CC[C@@H](c3cc(N(C)C)cc(C)n3)C2)no1 ZINC000257200665 244118225 /nfs/dbraw/zinc/11/82/25/244118225.db2.gz AEINDEBCRGHVLX-CQSZACIVSA-N 0 3 342.443 3.026 40 0 EGABHN Nc1nccnc1C[C@H]1CCCN(Cc2ccc3ncccc3c2)C1 ZINC000257213418 244156128 /nfs/dbraw/zinc/15/61/28/244156128.db2.gz CHMTWRQHXXNPEJ-OAHLLOKOSA-N 0 3 333.439 3.062 40 0 EGABHN CN(C)CCN(Cc1c[nH]nc1-c1ccccc1)Cc1cccnc1 ZINC000019582642 212047154 /nfs/dbraw/zinc/04/71/54/212047154.db2.gz NTHMXINRJGKREU-UHFFFAOYSA-N 0 3 335.455 3.036 40 0 EGABHN CCC[C@H](C(=O)NC(C)(C)CN1CCC(C)CC1)n1nc(C)cc1C ZINC000019501807 212034087 /nfs/dbraw/zinc/03/40/87/212034087.db2.gz AJKSMJIZIHPYDV-GOSISDBHSA-N 0 3 348.535 3.468 40 0 EGABHN Clc1ccccc1CN1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019349346 212019566 /nfs/dbraw/zinc/01/95/66/212019566.db2.gz QPJMWFNXOIBNRF-KRWDZBQOSA-N 0 3 328.847 3.113 40 0 EGABHN COc1ccc(OC)c([C@H](O)CNC/C=C/c2ccccc2OC)c1 ZINC000078979807 217163427 /nfs/dbraw/zinc/16/34/27/217163427.db2.gz RIGDHBWEQGCGEV-JHTBKMLMSA-N 0 3 343.423 3.049 40 0 EGABHN Cc1noc(C)c1[C@H](C)NC(=O)NCCCN(C)Cc1ccccc1 ZINC000079305993 217205623 /nfs/dbraw/zinc/20/56/23/217205623.db2.gz CRYZXJZMXPKULD-AWEZNQCLSA-N 0 3 344.459 3.174 40 0 EGABHN Cc1ccsc1CN1CCC(c2noc(-c3cnccn3)n2)CC1 ZINC000012337347 211351347 /nfs/dbraw/zinc/35/13/47/211351347.db2.gz UFJAEHJRHHEUST-UHFFFAOYSA-N 0 3 341.440 3.276 40 0 EGABHN Cc1nn2c(nc(C)c(C)c2NCCN(C)C)c1-c1cccs1 ZINC000012113369 211292412 /nfs/dbraw/zinc/29/24/12/211292412.db2.gz HSZQYVKWWDCLIJ-UHFFFAOYSA-N 0 3 329.473 3.357 40 0 EGABHN C[C@H]1CC[C@H](CCC(=O)NC2CCN(Cc3cccs3)CC2)O1 ZINC000095404734 218340063 /nfs/dbraw/zinc/34/00/63/218340063.db2.gz XIKDUUBKVCCANO-GOEBONIOSA-N 0 3 336.501 3.176 40 0 EGABHN C[C@H](CC(=O)Nc1ccc(Cl)cc1)NC[C@@](C)(O)c1ccco1 ZINC000095423312 218366235 /nfs/dbraw/zinc/36/62/35/218366235.db2.gz GTUPUUUYLQAWML-SJKOYZFVSA-N 0 3 336.819 3.147 40 0 EGABHN COCCN1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21 ZINC000096241287 274025557 /nfs/dbraw/zinc/02/55/57/274025557.db2.gz AWWGBRKNLLAQSO-UHFFFAOYSA-N 0 3 337.467 3.082 40 0 EGABHN Cc1ccc(CN2CCC3(CC2)CCN(c2ncccn2)CC3)o1 ZINC000096047341 274740596 /nfs/dbraw/zinc/74/05/96/274740596.db2.gz VDLAFQFOEMTXKQ-UHFFFAOYSA-N 0 3 326.444 3.261 40 0 EGABHN C[C@H](CCN[C@H]1CCc2c1cccc2Br)[S@](C)=O ZINC000211273299 456022178 /nfs/dbraw/zinc/02/21/78/456022178.db2.gz LACQNTZIRDSNLO-RHXQLXPWSA-N 0 3 330.291 3.183 40 0 EGABHN Cc1cc(Br)cc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000128188976 323218886 /nfs/dbraw/zinc/21/88/86/323218886.db2.gz IUHKUBUZPWRXPR-DOMZBBRYSA-N 0 3 339.277 3.312 40 0 EGABHN CN1CCC(N(Cc2ccccc2)C(=O)[C@H]2CCCCS2)CC1 ZINC000390833116 324283217 /nfs/dbraw/zinc/28/32/17/324283217.db2.gz CHNFCSQOKJUOKH-GOSISDBHSA-N 0 3 332.513 3.395 40 0 EGABHN O=C(c1cccc(Cl)c1)N1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000000441247 452592240 /nfs/dbraw/zinc/59/22/40/452592240.db2.gz NUPOXGUGXABKNY-HLLBOEOZSA-N 0 3 330.859 3.310 40 0 EGABHN CC(C)c1ccccc1OC[C@H](O)CN(CCO)Cc1ccccc1 ZINC000002694323 452714940 /nfs/dbraw/zinc/71/49/40/452714940.db2.gz STGDNMJDWDAYQL-LJQANCHMSA-N 0 3 343.467 3.044 40 0 EGABHN CCN1CCC[C@H]1CNC(=O)Nc1c[nH]c2c(Cl)cccc2c1=O ZINC000013565996 453471128 /nfs/dbraw/zinc/47/11/28/453471128.db2.gz VLABRWPKKLAJHH-NSHDSACASA-N 0 3 348.834 3.200 40 0 EGABHN CCC[C@@H](c1nnnn1C(C)(C)CC)N1CCN(C2CCCC2)CC1 ZINC000019501855 453656044 /nfs/dbraw/zinc/65/60/44/453656044.db2.gz SPEDDQJABAUJIR-KRWDZBQOSA-N 0 3 348.539 3.220 40 0 EGABHN O=C(c1cccs1)N1CCC[C@@]2(CCN(Cc3ccco3)C2)C1 ZINC000096047006 454269669 /nfs/dbraw/zinc/26/96/69/454269669.db2.gz JQJWHWAMQRBVPZ-SFHVURJKSA-N 0 3 330.453 3.469 40 0 EGABHN Cc1ccc(CN2CCC3(CCC(=O)N3Cc3cccnc3)CC2)o1 ZINC000096049376 454271432 /nfs/dbraw/zinc/27/14/32/454271432.db2.gz KJXDHRKQPHHETN-UHFFFAOYSA-N 0 3 339.439 3.140 40 0 EGABHN O=C1CCC2(CCN(Cc3cccs3)CC2)N1Cc1cccnc1 ZINC000096049373 454271681 /nfs/dbraw/zinc/27/16/81/454271681.db2.gz PUPKPRAAKAHPPX-UHFFFAOYSA-N 0 3 341.480 3.300 40 0 EGABHN Cc1nc(CO[C@@H]2COC3(C2)CCN(Cc2ccoc2)CC3)cs1 ZINC000096106797 454284354 /nfs/dbraw/zinc/28/43/54/454284354.db2.gz ZEHHZSCUSRAYEI-KRWDZBQOSA-N 0 3 348.468 3.385 40 0 EGABHN COc1ccc(C[C@H]2CN(Cc3cccc(C)n3)CC[C@@H]2OC)cc1 ZINC000096110552 454286735 /nfs/dbraw/zinc/28/67/35/454286735.db2.gz RRCZPNKVNWQKCT-RXVVDRJESA-N 0 3 340.467 3.478 40 0 EGABHN O[C@]1(c2ccc(F)cc2)CCC[C@@H]2CN(Cc3cccnc3)C[C@H]21 ZINC000072340438 454294895 /nfs/dbraw/zinc/29/48/95/454294895.db2.gz JYZMRAZKRRPYGD-AHRSYUTCSA-N 0 3 326.415 3.340 40 0 EGABHN Cc1ncsc1CN1CCC2(CO[C@H](COCC3CC3)C2)CC1 ZINC000096208586 454305096 /nfs/dbraw/zinc/30/50/96/454305096.db2.gz KIHXYHORCFKSKI-INIZCTEOSA-N 0 3 336.501 3.249 40 0 EGABHN COc1ccccc1CN1CCC2(C[C@@H](OCC3CC3)CO2)CC1 ZINC000096209858 454305288 /nfs/dbraw/zinc/30/52/88/454305288.db2.gz KZHBXBIEOYKYHQ-GOSISDBHSA-N 0 3 331.456 3.245 40 0 EGABHN Cc1ccc(CN2CCC[C@]3(CCN(C(=O)CC(F)(F)F)C3)C2)o1 ZINC000096215953 454305678 /nfs/dbraw/zinc/30/56/78/454305678.db2.gz YXBWOEGYLBSIFD-INIZCTEOSA-N 0 3 344.377 3.355 40 0 EGABHN Fc1cccnc1N[C@H]1CO[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096219180 454306645 /nfs/dbraw/zinc/30/66/45/454306645.db2.gz GVKSBLLBBYSCGJ-CXAGYDPISA-N 0 3 333.432 3.128 40 0 EGABHN c1cc(CN2CC[C@H]3OCCN(c4cccnc4)[C@H]3CC2)cs1 ZINC000096249427 454311935 /nfs/dbraw/zinc/31/19/35/454311935.db2.gz KNYGNVSNACRDIW-ZWKOTPCHSA-N 0 3 329.469 3.013 40 0 EGABHN O=C(c1cscn1)N1C[C@@H]2CN(Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC000096245500 454312018 /nfs/dbraw/zinc/31/20/18/454312018.db2.gz CCKWABDQABBHND-KBPBESRZSA-N 0 3 347.871 3.001 40 0 EGABHN Brc1ccc(N2CC[C@H](NCc3cccnc3)C2)cc1 ZINC000096403983 454322216 /nfs/dbraw/zinc/32/22/16/454322216.db2.gz QZXKIVMBGCSOKZ-HNNXBMFYSA-N 0 3 332.245 3.213 40 0 EGABHN CC(C)[C@@H](C(=O)N1CCCN(C2CCOCC2)CC1)c1ccccc1 ZINC000096431177 454342193 /nfs/dbraw/zinc/34/21/93/454342193.db2.gz HTOGRIHNTALESU-HXUWFJFHSA-N 0 3 344.499 3.140 40 0 EGABHN Cc1cc(Cl)ccc1CN1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000136222511 454730451 /nfs/dbraw/zinc/73/04/51/454730451.db2.gz LYZKEFOBWGMYIT-WBVHZDCISA-N 0 3 333.863 3.328 40 0 EGABHN Cc1ccc(CN2C[C@@H]3[C@H](CC(=O)Nc4cccnc4)[C@@H]3C2)s1 ZINC000107746008 454772642 /nfs/dbraw/zinc/77/26/42/454772642.db2.gz XLQCVBHVFSIAOQ-BJWYYQGGSA-N 0 3 327.453 3.158 40 0 EGABHN COc1ccc([C@H](C)N[C@@H]2CCN(C(=O)C3CCCC3)C2)c(OC)c1 ZINC000127012287 454932971 /nfs/dbraw/zinc/93/29/71/454932971.db2.gz VTINTJNGDWCKSW-GOEBONIOSA-N 0 3 346.471 3.146 40 0 EGABHN COCc1ccc(CN2CCCN(Cc3csc(C)n3)CC2)cc1 ZINC000157239006 455175982 /nfs/dbraw/zinc/17/59/82/455175982.db2.gz DAFSPQAYFAZJRK-UHFFFAOYSA-N 0 3 345.512 3.306 40 0 EGABHN C[C@@H]1CN(c2ccc(CNCc3cccc4[nH]ccc43)cn2)CCO1 ZINC000237593157 455197315 /nfs/dbraw/zinc/19/73/15/455197315.db2.gz BDBXTBJECXZAIV-OAHLLOKOSA-N 0 3 336.439 3.078 40 0 EGABHN Cc1ccc(CC(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)cn1 ZINC000247482886 455609667 /nfs/dbraw/zinc/60/96/67/455609667.db2.gz SWSJASRWIZTGPB-VQIMIIECSA-N 0 3 343.496 3.193 40 0 EGABHN Cc1cc(NC(=O)[C@H](C)N[C@H](C[C@H]2CCOC2)c2ccccc2)on1 ZINC000248714054 455727664 /nfs/dbraw/zinc/72/76/64/455727664.db2.gz DKAOFWMTQNYOIH-ZMSDIMECSA-N 0 3 343.427 3.068 40 0 EGABHN Cc1c[nH]c(-c2cc(C3CCN(Cc4cccnc4)CC3)nc(C)n2)n1 ZINC000257321107 455890358 /nfs/dbraw/zinc/89/03/58/455890358.db2.gz WACKCNXXRZOCKX-UHFFFAOYSA-N 0 3 348.454 3.258 40 0 EGABHN CN1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)C1CCOCC1 ZINC000257321714 455891634 /nfs/dbraw/zinc/89/16/34/455891634.db2.gz WCWSEAKHBJJMOP-SLFFLAALSA-N 0 3 342.483 3.240 40 0 EGABHN Cc1nc([C@@H]2CCCN2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000257323440 455892201 /nfs/dbraw/zinc/89/22/01/455892201.db2.gz WKEOCUFIBJIDKZ-INIZCTEOSA-N 0 3 328.460 3.069 40 0 EGABHN COc1ccc([C@@H](CO)N(C)C[C@@H](O)c2cccc(Cl)c2)cc1 ZINC000195531474 455981055 /nfs/dbraw/zinc/98/10/55/455981055.db2.gz YVOCTSKKMBDQMR-QZTJIDSGSA-N 0 3 335.831 3.047 40 0 EGABHN COc1cccc2c1CC[C@@H]2N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000195540599 455981959 /nfs/dbraw/zinc/98/19/59/455981959.db2.gz QGGVCJSGNWAMFM-ACJLOTCBSA-N 0 3 345.464 3.437 40 0 EGABHN CCCOC1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCCC1 ZINC000225654624 456101525 /nfs/dbraw/zinc/10/15/25/456101525.db2.gz LLHOIBXUAGTZCX-UHFFFAOYSA-N 0 3 334.460 3.305 40 0 EGABHN Clc1cccnc1NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390881010 457448147 /nfs/dbraw/zinc/44/81/47/457448147.db2.gz VGOOWWWUPKTETD-INIZCTEOSA-N 0 3 331.847 3.438 40 0 EGABHN Cc1ccc(CN2CC[C@H]3[C@@H]2CCC(=O)N3Cc2cccnc2)s1 ZINC000503863550 458726583 /nfs/dbraw/zinc/72/65/83/458726583.db2.gz KIRHNXPJBTZLED-ROUUACIJSA-N 0 3 341.480 3.217 40 0 EGABHN O=C(C1CC(F)C1)N1CCC2(CCCN(Cc3ccccn3)C2)CC1 ZINC000585099921 459822629 /nfs/dbraw/zinc/82/26/29/459822629.db2.gz YZQSINIHYPZWJG-UHFFFAOYSA-N 0 3 345.462 3.034 40 0 EGABHN CCOc1ccccc1C(=O)N1CCC[C@@]2(CCN2CC(C)C)C1 ZINC000585101857 459823738 /nfs/dbraw/zinc/82/37/38/459823738.db2.gz JGHPGRVUPHISOI-HXUWFJFHSA-N 0 3 330.472 3.422 40 0 EGABHN COc1ccccc1CNC[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000585141361 459829431 /nfs/dbraw/zinc/82/94/31/459829431.db2.gz UNCIYNDMNRQTJD-CYBMUJFWSA-N 0 3 344.402 3.333 40 0 EGABHN Cc1cc(C)c2[nH]c(=O)c(CN[C@@H](CO)Cc3ccccc3)cc2c1 ZINC000585293440 459834229 /nfs/dbraw/zinc/83/42/29/459834229.db2.gz WXDZQDAYKAXMFV-LJQANCHMSA-N 0 3 336.435 3.250 40 0 EGABHN CC(C)(C)c1ccc(C(=O)NCC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000575605699 459979765 /nfs/dbraw/zinc/97/97/65/459979765.db2.gz GWPKUXHGKKXKFF-LJQANCHMSA-N 0 3 344.499 3.215 40 0 EGABHN c1ncn(-c2ccccc2CN2CCC(OCc3ccccc3)CC2)n1 ZINC000678128452 549404514 /nfs/dbraw/zinc/40/45/14/549404514.db2.gz WDQUPPOXIBDLJZ-UHFFFAOYSA-N 0 3 348.450 3.449 40 0 EGABHN C[C@@H]1C[C@H](NCc2ccc([S@](C)=O)cc2)CN1c1ccccc1 ZINC000205394135 563559909 /nfs/dbraw/zinc/55/99/09/563559909.db2.gz XBRDIAKRCDIBDP-DLYSWHJUSA-N 0 3 328.481 3.181 40 0 EGABHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCc2ccccc21 ZINC000104263809 219366807 /nfs/dbraw/zinc/36/68/07/219366807.db2.gz BEYLGMVMKIKXMS-FPOVZHCZSA-N 0 3 334.463 3.497 40 0 EGABHN O[C@]1(c2cccnc2)CCC[C@@H]2CN(Cc3c(F)cccc3F)C[C@H]21 ZINC000072342995 216159529 /nfs/dbraw/zinc/15/95/29/216159529.db2.gz SWBIKSIPDQMZTB-ZTQAJYAQSA-N 0 3 344.405 3.480 40 0 EGABHN COCCN1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(F)c1 ZINC000072376819 216178573 /nfs/dbraw/zinc/17/85/73/216178573.db2.gz IPSJWOVWMQEHOX-MRXNPFEDSA-N 0 3 330.407 3.038 40 0 EGABHN Nc1cc(CC[C@H]2CN(Cc3ccnc4ccccc34)CCO2)ccn1 ZINC000257277485 244397936 /nfs/dbraw/zinc/39/79/36/244397936.db2.gz NYDJPWJYFLNRAK-SFHVURJKSA-N 0 3 348.450 3.046 40 0 EGABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)Cc3sc(C)nc3C)C2)c1 ZINC000257311957 244493429 /nfs/dbraw/zinc/49/34/29/244493429.db2.gz ULTFMKUPRBWPAJ-CQSZACIVSA-N 0 3 344.484 3.064 40 0 EGABHN CC1(C)Cc2cc(CNCc3ccccc3Cn3cncn3)ccc2O1 ZINC000078552316 217073513 /nfs/dbraw/zinc/07/35/13/217073513.db2.gz GZZFFWOHLQAPFU-UHFFFAOYSA-N 0 3 348.450 3.330 40 0 EGABHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2ccncc2)CC1 ZINC000078553378 217074839 /nfs/dbraw/zinc/07/48/39/217074839.db2.gz NXVGVTODMVUNBE-INIZCTEOSA-N 0 3 342.462 3.213 40 0 EGABHN COc1ccc(OC)c([C@@H](O)CNC/C=C/c2ccccc2OC)c1 ZINC000078979810 217163922 /nfs/dbraw/zinc/16/39/22/217163922.db2.gz RIGDHBWEQGCGEV-IWHGQQBYSA-N 0 3 343.423 3.049 40 0 EGABHN Cc1nn(CCO)c(C)c1CNC1(c2ccc(F)cc2)CCCC1 ZINC000078979881 217164225 /nfs/dbraw/zinc/16/42/25/217164225.db2.gz ZSRZBZFKYKSPNA-UHFFFAOYSA-N 0 3 331.435 3.190 40 0 EGABHN COc1ccc([C@H]2[C@@H](CNC(=O)c3ccoc3)CCCN2C)cc1 ZINC000079358331 217215043 /nfs/dbraw/zinc/21/50/43/217215043.db2.gz KHUKBMRDWWBWLO-QAPCUYQASA-N 0 3 328.412 3.101 40 0 EGABHN O=C1NCCCN1C1CCN(Cc2cc3ccccc3s2)CC1 ZINC000093668943 218242700 /nfs/dbraw/zinc/24/27/00/218242700.db2.gz DEOJKDIXVRMWBV-UHFFFAOYSA-N 0 3 329.469 3.281 40 0 EGABHN OC1(c2ccccn2)[C@@H]2CCC[C@H]1CN(Cc1ccc(F)cc1)C2 ZINC000012089055 285241750 /nfs/dbraw/zinc/24/17/50/285241750.db2.gz UTBOADCXNJCUBK-XEWABKELSA-N 0 3 326.415 3.340 40 0 EGABHN CCO[C@H]1CC2(CCN([C@H]3CCOC3)CC2)c2cc(OC)ccc21 ZINC000096241880 276358784 /nfs/dbraw/zinc/35/87/84/276358784.db2.gz TZRYPHVNMHINEB-KXBFYZLASA-N 0 3 331.456 3.299 40 0 EGABHN CC[C@@H](OC[C@H](O)CN(CCO)Cc1ccccc1)c1ccccc1 ZINC000006449987 280213251 /nfs/dbraw/zinc/21/32/51/280213251.db2.gz ITVGMNRFDVQDOW-NHCUHLMSSA-N 0 3 343.467 3.010 40 0 EGABHN Cc1cc2c(cc1CN(CCN(C)C)Cc1cccs1)OCO2 ZINC000023247869 301449627 /nfs/dbraw/zinc/44/96/27/301449627.db2.gz VKKKRURMVWQHJU-UHFFFAOYSA-N 0 3 332.469 3.349 40 0 EGABHN CN(C)[C@H](CNc1ncc(Br)cn1)c1cccs1 ZINC000067346678 453922933 /nfs/dbraw/zinc/92/29/33/453922933.db2.gz BWMXBTKTCVCADK-SNVBAGLBSA-N 0 3 327.251 3.015 40 0 EGABHN C[C@H]1CCCN(CCNC(=O)c2ccc(Br)cc2F)C1 ZINC000046878909 454296428 /nfs/dbraw/zinc/29/64/28/454296428.db2.gz UTQGSUXHNXZKJW-NSHDSACASA-N 0 3 343.240 3.050 40 0 EGABHN Cc1ccc2c(c1)CN(C(=O)c1cccs1)[C@@H](CN(C)C)CO2 ZINC000012406644 453361505 /nfs/dbraw/zinc/36/15/05/453361505.db2.gz ZPMXZQPJLZTZSJ-HNNXBMFYSA-N 0 3 330.453 3.022 40 0 EGABHN COc1ccc(CN(Cc2sccc2C)C[C@H](C)O)cc1OC ZINC000013991430 453494954 /nfs/dbraw/zinc/49/49/54/453494954.db2.gz UYCGZSQJIJPWHI-AWEZNQCLSA-N 0 3 335.469 3.457 40 0 EGABHN Cc1nn(C(C)C)c(C)c1CN1CC[C@H]2[C@H]1CCCCC(=O)N2C ZINC000019713841 453658913 /nfs/dbraw/zinc/65/89/13/453658913.db2.gz HVNDZXGEIANCAL-ZWKOTPCHSA-N 0 3 332.492 3.056 40 0 EGABHN O[C@@H](COCc1ccco1)CN1CCc2sccc2[C@@H]1C1CC1 ZINC000025697653 453783423 /nfs/dbraw/zinc/78/34/23/453783423.db2.gz OPXFGKBQAYKWLB-KDOFPFPSSA-N 0 3 333.453 3.228 40 0 EGABHN C[C@H](Oc1ccccc1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000029839119 453832093 /nfs/dbraw/zinc/83/20/93/453832093.db2.gz FVUPDSOBSDYOSB-KRWDZBQOSA-N 0 3 338.451 3.019 40 0 EGABHN Cn1cc(CNCCc2ccc(NC(=O)OC(C)(C)C)cc2)cn1 ZINC000088757274 454119007 /nfs/dbraw/zinc/11/90/07/454119007.db2.gz KTECWJQGXRFXTA-UHFFFAOYSA-N 0 3 330.432 3.099 40 0 EGABHN CCOc1cc(-c2nc([C@H](N)c3ccc(C)cc3)n[nH]2)ccc1OC ZINC000095534198 454230465 /nfs/dbraw/zinc/23/04/65/454230465.db2.gz UEMRPIOMDCFEEH-QGZVFWFLSA-N 0 3 338.411 3.236 40 0 EGABHN O=C(c1cccs1)N1CCC[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC000096047023 454269200 /nfs/dbraw/zinc/26/92/00/454269200.db2.gz VYUZBHDABYBVMT-LJQANCHMSA-N 0 3 341.480 3.271 40 0 EGABHN O=C(c1cccs1)N1CCC[C@]2(CCN(Cc3ccncc3)C2)C1 ZINC000096047027 454269554 /nfs/dbraw/zinc/26/95/54/454269554.db2.gz RDRXPHQEIMIUSO-LJQANCHMSA-N 0 3 341.480 3.271 40 0 EGABHN Cc1ccc(N2CCC3(CCN(Cc4ccoc4)CC3)CC2)nn1 ZINC000096047349 454269646 /nfs/dbraw/zinc/26/96/46/454269646.db2.gz SXIIEBYTICUGDG-UHFFFAOYSA-N 0 3 326.444 3.261 40 0 EGABHN COc1ccc(N[C@@H]2CO[C@@]3(CCN(Cc4ccoc4)C3)C2)cc1 ZINC000096047609 454269820 /nfs/dbraw/zinc/26/98/20/454269820.db2.gz ALNHPADQVLGLED-HKUYNNGSSA-N 0 3 328.412 3.134 40 0 EGABHN Cc1ccc(CN2CCC3(C[C@@H](c4cccnc4)C(=O)N3)CC2)s1 ZINC000096061379 454277203 /nfs/dbraw/zinc/27/72/03/454277203.db2.gz ZQHNTDOZNFSRPE-KRWDZBQOSA-N 0 3 341.480 3.090 40 0 EGABHN O=C(C1CC=CC1)N1CCC2(CCCN(Cc3ccccn3)C2)CC1 ZINC000096063022 454278597 /nfs/dbraw/zinc/27/85/97/454278597.db2.gz CCYWJBNLSUSJFN-UHFFFAOYSA-N 0 3 339.483 3.252 40 0 EGABHN O=C1N(c2cccnc2)CC[C@]12CCCN(Cc1ccsc1)C2 ZINC000096074034 454280437 /nfs/dbraw/zinc/28/04/37/454280437.db2.gz JHRAGYGRNBWUOI-SFHVURJKSA-N 0 3 327.453 3.162 40 0 EGABHN Fc1cccnc1O[C@@H]1COC2(C1)CCN(Cc1ccco1)CC2 ZINC000096107023 454284261 /nfs/dbraw/zinc/28/42/61/454284261.db2.gz GSBQVJUWYQRUKT-HNNXBMFYSA-N 0 3 332.375 3.016 40 0 EGABHN Cc1cccc(CN2CC[C@]3(C[C@H](OCc4ccncc4)CO3)C2)c1 ZINC000096107635 454285786 /nfs/dbraw/zinc/28/57/86/454285786.db2.gz BNOAPJQFMYWJRB-SFTDATJTSA-N 0 3 338.451 3.340 40 0 EGABHN Cn1cccc1CN1CCC2(CCN(C(=O)c3cccs3)C2)CC1 ZINC000096157487 454294669 /nfs/dbraw/zinc/29/46/69/454294669.db2.gz KHHYNJPWUDJMQY-UHFFFAOYSA-N 0 3 343.496 3.215 40 0 EGABHN Cc1ccc(CN2CCC3(CC2)NC(=O)C[C@H]3c2cccnc2)s1 ZINC000096199707 454302997 /nfs/dbraw/zinc/30/29/97/454302997.db2.gz LGRLUPIFDPXJGQ-KRWDZBQOSA-N 0 3 341.480 3.090 40 0 EGABHN O=C1CC[C@]2(CCCN(Cc3ccco3)CC2)N1Cc1ccncc1 ZINC000096218081 454307799 /nfs/dbraw/zinc/30/77/99/454307799.db2.gz WPSDEPPOMHAQOL-FQEVSTJZSA-N 0 3 339.439 3.222 40 0 EGABHN CN(Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(=O)C1CCC1)CC2 ZINC000096221046 454309172 /nfs/dbraw/zinc/30/91/72/454309172.db2.gz ZNMUEVLUIAULHM-IBGZPJMESA-N 0 3 342.483 3.069 40 0 EGABHN Cc1noc(C)c1CN1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000096238798 454310696 /nfs/dbraw/zinc/31/06/96/454310696.db2.gz NJRRRHABNRMZIC-LJQANCHMSA-N 0 3 343.402 3.060 40 0 EGABHN Brc1ccc(N2CC[C@H](NCc3ccccn3)C2)cc1 ZINC000096403981 454322380 /nfs/dbraw/zinc/32/23/80/454322380.db2.gz SQPROOJFNXTLNI-HNNXBMFYSA-N 0 3 332.245 3.213 40 0 EGABHN COc1cc(CN(C)CCc2ccncc2)c(SC)cc1OC ZINC000096421190 454336389 /nfs/dbraw/zinc/33/63/89/454336389.db2.gz UYGUTOJKPUDIJW-UHFFFAOYSA-N 0 3 332.469 3.495 40 0 EGABHN CN(C)c1ccc(-c2nnc([C@H]3CCN(Cc4cccnc4)C3)o2)cc1 ZINC000049170229 454537011 /nfs/dbraw/zinc/53/70/11/454537011.db2.gz AOXVKSNAZRZWKR-KRWDZBQOSA-N 0 3 349.438 3.187 40 0 biogenic,in-vitro EGABHN Cc1noc(C)c1CN1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000065286854 454549172 /nfs/dbraw/zinc/54/91/72/454549172.db2.gz VDOLYRAUYWEUNQ-INIZCTEOSA-N 0 3 337.427 3.456 40 0 EGABHN COC(=O)[C@H]1CN(Cc2ccccc2)CCc2c3ccccc3[nH]c21 ZINC000137587030 454783185 /nfs/dbraw/zinc/78/31/85/454783185.db2.gz BLROAGZNDOJDHY-SFHVURJKSA-N 0 3 334.419 3.483 40 0 EGABHN O=c1cc([C@H]2CC[N@H+](C[C@@H]3CC=CCC3)C2)nc(-c2ccncc2)[n-]1 ZINC000247813180 455647507 /nfs/dbraw/zinc/64/75/07/455647507.db2.gz CAYHPOHBXLBIEM-WBVHZDCISA-N 0 3 336.439 3.390 40 0 EGABHN O=c1cc([C@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)nc(-c2ccncc2)[n-]1 ZINC000247813180 455647509 /nfs/dbraw/zinc/64/75/09/455647509.db2.gz CAYHPOHBXLBIEM-WBVHZDCISA-N 0 3 336.439 3.390 40 0 EGABHN c1nc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)c[nH]1 ZINC000253431476 455847392 /nfs/dbraw/zinc/84/73/92/455847392.db2.gz SCULQIIOFDKJRX-DNVCBOLYSA-N 0 3 335.411 3.013 40 0 EGABHN c1ncc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)[nH]1 ZINC000253431476 455847396 /nfs/dbraw/zinc/84/73/96/455847396.db2.gz SCULQIIOFDKJRX-DNVCBOLYSA-N 0 3 335.411 3.013 40 0 EGABHN Cc1ncc(CN(C)C)c([C@H]2CCCN2CCc2ccc(F)cc2)n1 ZINC000257215396 455879943 /nfs/dbraw/zinc/87/99/43/455879943.db2.gz CPYFTDCSGHUIJD-LJQANCHMSA-N 0 3 342.462 3.365 40 0 EGABHN Cc1ccc(CN2CCC(Cc3cnc(CN(C)C)cn3)CC2)s1 ZINC000257281363 455882062 /nfs/dbraw/zinc/88/20/62/455882062.db2.gz OOVNMRGRJJMNEX-UHFFFAOYSA-N 0 3 344.528 3.363 40 0 EGABHN Cc1cccnc1Nc1cc(C2CCN([C@@H]3CCOC3)CC2)ccn1 ZINC000257334869 455894576 /nfs/dbraw/zinc/89/45/76/455894576.db2.gz YHSSIYRLOXQZDD-GOSISDBHSA-N 0 3 338.455 3.497 40 0 EGABHN COc1ccccc1N1CCC[C@@H](N[C@@H](C)c2cnn(C)c2C)C1 ZINC000195553592 455984105 /nfs/dbraw/zinc/98/41/05/455984105.db2.gz STZJFBOMRWTQRE-GOEBONIOSA-N 0 3 328.460 3.057 40 0 EGABHN CS[C@@H]1CC[C@@H](N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)C1 ZINC000195561664 455985333 /nfs/dbraw/zinc/98/53/33/455985333.db2.gz XXPXCJDQOBXUOB-RRFJBIMHSA-N 0 3 327.515 3.031 40 0 EGABHN O=C(Nc1cnn(-c2ccc(Cl)cc2)c1)C1CCN(C2CC2)CC1 ZINC000225607562 456096773 /nfs/dbraw/zinc/09/67/73/456096773.db2.gz HHAVSIVGDFXORI-UHFFFAOYSA-N 0 3 344.846 3.339 40 0 EGABHN c1coc(CN2CC[C@]3(C2)CN(Cc2ccccn2)c2cccnc23)c1 ZINC000306142949 456566809 /nfs/dbraw/zinc/56/68/09/456566809.db2.gz XOYWGISKCBUTPV-NRFANRHFSA-N 0 3 346.434 3.234 40 0 EGABHN CN1CC[C@@H](COCc2ccncc2)CC12CN(CC1CCCC1)C2 ZINC000585103697 459824489 /nfs/dbraw/zinc/82/44/89/459824489.db2.gz YLXMRHRRDQQHTL-HXUWFJFHSA-N 0 3 343.515 3.185 40 0 EGABHN COc1cccc(CN[C@H]2CCC[C@@H](Oc3cccc(C)c3)[C@@H]2O)c1 ZINC000585288806 459833464 /nfs/dbraw/zinc/83/34/64/459833464.db2.gz JNFNOLPIMUTAAO-PWRODBHTSA-N 0 3 341.451 3.454 40 0 EGABHN CC[C@@H]1CCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000242191296 535823075 /nfs/dbraw/zinc/82/30/75/535823075.db2.gz XEMPFKJQMDOWEL-MRXNPFEDSA-N 0 3 345.487 3.101 40 0 EGABHN C[C@@H]1C[C@@H](NCc2ccc([S@](C)=O)cc2)CN1c1ccccc1 ZINC000205394170 563559868 /nfs/dbraw/zinc/55/98/68/563559868.db2.gz XBRDIAKRCDIBDP-YAEBDLLGSA-N 0 3 328.481 3.181 40 0 EGABHN CN1CCC2(CC1)C[C@@H](NC(=O)CC(F)(F)F)c1ccccc1O2 ZINC000096079739 282723477 /nfs/dbraw/zinc/72/34/77/282723477.db2.gz JNEXUASYBKAWHD-CYBMUJFWSA-N 0 3 342.361 3.043 40 0 EGABHN CC(C)[C@@H](N)c1nnc2ccc(-c3cccc(Br)c3)nn21 ZINC000217566172 241259703 /nfs/dbraw/zinc/25/97/03/241259703.db2.gz UDTIGIHMKWSOMY-CQSZACIVSA-N 0 3 346.232 3.210 40 0 EGABHN COc1ccc(NC(=O)NC[C@@H]2CN(C)C[C@@H]2c2cccs2)cc1 ZINC000227150466 242121774 /nfs/dbraw/zinc/12/17/74/242121774.db2.gz XBOVYNUCTICSID-CJNGLKHVSA-N 0 3 345.468 3.224 40 0 EGABHN CC[C@H]1CCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000242191295 243012154 /nfs/dbraw/zinc/01/21/54/243012154.db2.gz XEMPFKJQMDOWEL-INIZCTEOSA-N 0 3 345.487 3.101 40 0 EGABHN CNC(=O)c1sc2nc([C@@]3(C)CCCN(C(C)C)C3)ccc2c1N ZINC000257208163 244141333 /nfs/dbraw/zinc/14/13/33/244141333.db2.gz BLADLXLYAKQVKI-SFHVURJKSA-N 0 3 346.500 3.000 40 0 EGABHN c1c2ccccc2sc1CN1CCOC[C@@H](Cc2ccncn2)C1 ZINC000257242131 244246965 /nfs/dbraw/zinc/24/69/65/244246965.db2.gz IBFUFSWPUYPWDF-HNNXBMFYSA-N 0 3 339.464 3.382 40 0 EGABHN Cc1cc(-c2nccn2C)nc([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000257272200 244381225 /nfs/dbraw/zinc/38/12/25/244381225.db2.gz NBLFLPUGMDNLLK-KRWDZBQOSA-N 0 3 333.439 3.175 40 0 EGABHN Cn1cc(CN2CC[C@H](C(=O)N3CCCCC3)C2)c2cc(F)ccc21 ZINC000019747929 212061534 /nfs/dbraw/zinc/06/15/34/212061534.db2.gz XFJZPVIGZNMHBM-HNNXBMFYSA-N 0 3 343.446 3.152 40 0 EGABHN CN1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1ccno1 ZINC000019589116 212048654 /nfs/dbraw/zinc/04/86/54/212048654.db2.gz PBCYZJXPNQFLNG-SCTDSRPQSA-N 0 3 339.439 3.157 40 0 EGABHN Fc1ccc(-c2n[nH]cc2CNCc2ccc(-n3cncn3)cc2)cc1 ZINC000078552850 217074133 /nfs/dbraw/zinc/07/41/33/217074133.db2.gz JBQCJEZJCKXRMC-UHFFFAOYSA-N 0 3 348.385 3.086 40 0 EGABHN CC/C=C(/C)C(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000079096395 217191940 /nfs/dbraw/zinc/19/19/40/217191940.db2.gz POMGNADPRAIGOH-QOTSWMAJSA-N 0 3 330.472 3.359 40 0 EGABHN CN1CCC[C@H](CNC(=O)NCc2ccco2)[C@@H]1c1cccs1 ZINC000080564620 217313922 /nfs/dbraw/zinc/31/39/22/217313922.db2.gz IBICKUORQFEJNB-CZUORRHYSA-N 0 3 333.457 3.223 40 0 EGABHN Cc1ccccc1C1(O)CCN(C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000012327770 211349302 /nfs/dbraw/zinc/34/93/02/211349302.db2.gz VKBSLWNCHMXRLL-LJQANCHMSA-N 0 3 329.415 3.151 40 0 EGABHN Cc1cccc(C2(O)CCN(C[C@@H](O)c3ccc(F)cc3)CC2)c1 ZINC000012292401 211335704 /nfs/dbraw/zinc/33/57/04/211335704.db2.gz WPWBTWTZRIAURU-LJQANCHMSA-N 0 3 329.415 3.151 40 0 EGABHN Cc1ccc([C@H](O)CN2CCC(O)(c3ccc(F)cc3)CC2)cc1C ZINC000012292198 211335560 /nfs/dbraw/zinc/33/55/60/211335560.db2.gz FTIVGKMECRUEGM-HXUWFJFHSA-N 0 3 343.442 3.460 40 0 EGABHN c1coc(CN2CCC3(CC2)NCCn2c(-c4ccccc4)cnc23)c1 ZINC000096037096 285563101 /nfs/dbraw/zinc/56/31/01/285563101.db2.gz PNPHUXQWZGIRNH-UHFFFAOYSA-N 0 3 348.450 3.238 40 0 EGABHN Brc1ccc(N2CC[C@@H](NCc3ccncc3)C2)cc1 ZINC000096403985 273473263 /nfs/dbraw/zinc/47/32/63/273473263.db2.gz BVXLTIFZVBVQDT-OAHLLOKOSA-N 0 3 332.245 3.213 40 0 EGABHN CCN(C(=O)Cc1cccnc1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000096410052 276062067 /nfs/dbraw/zinc/06/20/67/276062067.db2.gz SFLZGBKELHZEKC-PXNSSMCTSA-N 0 3 337.467 3.308 40 0 EGABHN CNC(=O)C[C@@H]1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21 ZINC000096241885 277232428 /nfs/dbraw/zinc/23/24/28/277232428.db2.gz DIBXHKLDBWQECN-GOSISDBHSA-N 0 3 349.478 3.239 40 0 EGABHN COc1ccc2c(c1OC)[C@@]1(CCN(C)C)CC(=O)CC[C@H]1C=C2 ZINC000001560172 295278004 /nfs/dbraw/zinc/27/80/04/295278004.db2.gz ZZYRTKUDKQIIKW-QRWLVFNGSA-N 0 3 329.440 3.289 40 0 EGABHN C[C@H](CN[C@@H]1CCCC[C@H]1S(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000252486308 455810870 /nfs/dbraw/zinc/81/08/70/455810870.db2.gz IDJKISDLUCAMFQ-HFBAOOFYSA-N 0 3 331.428 3.014 40 0 EGABHN C[C@H]1CCN(C(=O)Nc2ccn(CCN(C)C)n2)[C@@H](c2ccco2)C1 ZINC000097099184 323214845 /nfs/dbraw/zinc/21/48/45/323214845.db2.gz YMWJSNXPNPLHKF-LSDHHAIUSA-N 0 3 345.447 3.043 40 0 EGABHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000390833578 324283185 /nfs/dbraw/zinc/28/31/85/324283185.db2.gz JPZYEZVFJYQNAQ-MNOVXSKESA-N 0 3 343.258 3.479 40 0 EGABHN Cc1n[nH]cc1[C@H](C)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000180847564 455255289 /nfs/dbraw/zinc/25/52/89/455255289.db2.gz ZVKMZVYRPYPLMF-SCLBCKFNSA-N 0 3 348.878 3.096 40 0 EGABHN O=C(COc1ccccc1)NCc1ccccc1CN1CCCCC1 ZINC000007696784 453104941 /nfs/dbraw/zinc/10/49/41/453104941.db2.gz PSTSNZNHIHZQKW-UHFFFAOYSA-N 0 3 338.451 3.368 40 0 EGABHN CCOc1cc(CNC[C@H]2CCCO2)cc(Br)c1OC ZINC000008253619 453181375 /nfs/dbraw/zinc/18/13/75/453181375.db2.gz QQCALNZJMHQPSX-GFCCVEGCSA-N 0 3 344.249 3.125 40 0 EGABHN CN(C)Cc1ccccc1NC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000024808353 453748201 /nfs/dbraw/zinc/74/82/01/453748201.db2.gz FSZIJTKGDLGOPV-UHFFFAOYSA-N 0 3 341.436 3.045 40 0 EGABHN COc1ccc(C(=O)[C@@H]2SC(=N)N[C@@H]2c2ccc(OC)cc2)cc1 ZINC000033665191 453916748 /nfs/dbraw/zinc/91/67/48/453916748.db2.gz LRNIPQIMNMMAAB-NVXWUHKLSA-N 0 3 342.420 3.058 40 0 EGABHN S=C(NCCCN1CCc2ccccc2C1)Nc1ccccc1 ZINC000046103204 454220055 /nfs/dbraw/zinc/22/00/55/454220055.db2.gz SSYXUKNXPXPBBP-UHFFFAOYSA-N 0 3 325.481 3.421 40 0 EGABHN Cc1ccc(CN2CC[C@]3(C2)CCCN(Cc2ccccn2)C3)o1 ZINC000096046948 454269270 /nfs/dbraw/zinc/26/92/70/454269270.db2.gz GQLFXZFTIZQMRY-HXUWFJFHSA-N 0 3 325.456 3.471 40 0 EGABHN Cc1cccc(CN2CC[C@@]3(CCN(Cc4ccncc4)C3)C2=O)c1 ZINC000096050580 454272426 /nfs/dbraw/zinc/27/24/26/454272426.db2.gz SQLIVIXTUBQYTF-OAQYLSRUSA-N 0 3 335.451 3.015 40 0 EGABHN c1coc(CN2CCC3(CO[C@@H](COc4cccnc4)C3)CC2)c1 ZINC000096106079 454283399 /nfs/dbraw/zinc/28/33/99/454283399.db2.gz PZRWLNNODAXTID-GOSISDBHSA-N 0 3 328.412 3.125 40 0 EGABHN c1coc(CN2CCC3(C[C@@H](OCc4ccncc4)CO3)CC2)c1 ZINC000096106813 454284599 /nfs/dbraw/zinc/28/45/99/454284599.db2.gz FAFFUCBCSLASFJ-GOSISDBHSA-N 0 3 328.412 3.015 40 0 EGABHN CN(C)[C@@H]1CCN(C(=O)c2cccc(Cl)c2)[C@H]1Cc1cccnc1 ZINC000096200845 454302090 /nfs/dbraw/zinc/30/20/90/454302090.db2.gz VXZSGRPHFJELMY-MSOLQXFVSA-N 0 3 343.858 3.122 40 0 EGABHN CCc1ccc(CN2CCC3(C[C@H](NC(=O)C(C)C)CO3)CC2)cc1 ZINC000096220689 454307476 /nfs/dbraw/zinc/30/74/76/454307476.db2.gz QYBFCZYJNMXPEW-IBGZPJMESA-N 0 3 344.499 3.145 40 0 EGABHN FC1(F)CCN(Cc2ccccc2)C[C@@]12CCN(c1ncccn1)C2 ZINC000096239682 454311927 /nfs/dbraw/zinc/31/19/27/454311927.db2.gz DAKBFDRGPWJNAT-GOSISDBHSA-N 0 3 344.409 3.214 40 0 EGABHN Cc1noc(C)c1CN1CCc2ncnc(-c3ccccc3)c2CC1 ZINC000096255357 454313349 /nfs/dbraw/zinc/31/33/49/454313349.db2.gz GQAGRJDKTCPCDU-UHFFFAOYSA-N 0 3 334.423 3.349 40 0 EGABHN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000096414430 454331694 /nfs/dbraw/zinc/33/16/94/454331694.db2.gz XUOJEJSVBJBSSH-ZFWWWQNUSA-N 0 3 342.405 3.342 40 0 EGABHN Cn1cncc1CNCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000191101203 455442650 /nfs/dbraw/zinc/44/26/50/455442650.db2.gz GHIUAAJNVKLGQU-UHFFFAOYSA-N 0 3 327.325 3.399 40 0 EGABHN CN(Cc1cncs1)C1CCN(c2ncnc3ccccc32)CC1 ZINC000096490025 454368765 /nfs/dbraw/zinc/36/87/65/454368765.db2.gz QVWMMSWFFMCDOK-UHFFFAOYSA-N 0 3 339.468 3.187 40 0 EGABHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Nc1c(F)cc(F)cc1Cl ZINC000110699923 454852227 /nfs/dbraw/zinc/85/22/27/454852227.db2.gz FDJVTCHRMWLIHS-NOZJJQNGSA-N 0 3 331.794 3.422 40 0 EGABHN COc1ccc([C@@H](C)N[C@H]2CCN(C(=O)C3CCCC3)C2)c(OC)c1 ZINC000127013000 454932916 /nfs/dbraw/zinc/93/29/16/454932916.db2.gz VTINTJNGDWCKSW-ZBFHGGJFSA-N 0 3 346.471 3.146 40 0 EGABHN CN1CCC(NC(=O)CSCc2c(Cl)cccc2Cl)CC1 ZINC000113932988 454938990 /nfs/dbraw/zinc/93/89/90/454938990.db2.gz GBQKSXAQLMEAKW-UHFFFAOYSA-N 0 3 347.311 3.437 40 0 EGABHN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc(Cl)c[nH]2)CC1 ZINC000155398159 454997061 /nfs/dbraw/zinc/99/70/61/454997061.db2.gz AAGHPQPDZWEBNI-LBPRGKRZSA-N 0 3 332.835 3.019 40 0 EGABHN C[C@H](NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1cc2ccccc2s1 ZINC000249200132 455745861 /nfs/dbraw/zinc/74/58/61/455745861.db2.gz SPTMVSHULUINCB-CFVMTHIKSA-N 0 3 332.469 3.188 40 0 EGABHN CS[C@@H]1CC[C@@H](N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)C1 ZINC000252587395 455822350 /nfs/dbraw/zinc/82/23/50/455822350.db2.gz XXPXCJDQOBXUOB-RBSFLKMASA-N 0 3 327.515 3.031 40 0 EGABHN Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3cccc(F)c3)C2)n1 ZINC000257328121 455893310 /nfs/dbraw/zinc/89/33/10/455893310.db2.gz XEFYLPRJQGVDCO-HNNXBMFYSA-N 0 3 327.403 3.225 40 0 EGABHN CC(C)c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C)C3)on1 ZINC000257329684 455893530 /nfs/dbraw/zinc/89/35/30/455893530.db2.gz XLAOXBDRUQWOSA-WITVHBPWSA-N 0 3 331.460 3.275 40 0 EGABHN CN1CCC(Cc2ccccc2)(C(=O)N2CCC(F)(F)CC2)CC1 ZINC000257343023 455895581 /nfs/dbraw/zinc/89/55/81/455895581.db2.gz ZRCNWPWTAWVSEH-UHFFFAOYSA-N 0 3 336.426 3.199 40 0 EGABHN N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000195542475 455982166 /nfs/dbraw/zinc/98/21/66/455982166.db2.gz KLEVRZSIYHMWCN-MJGOQNOKSA-N 0 3 340.492 3.197 40 0 EGABHN c1coc(CN2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306135051 456566677 /nfs/dbraw/zinc/56/66/77/456566677.db2.gz OFXGKGVPTFRISS-QGZVFWFLSA-N 0 3 345.406 3.374 40 0 EGABHN O=C(NC1CC(F)(F)C1)[C@H]1CCC[C@@]12CCN(Cc1ccco1)C2 ZINC000503832923 458726807 /nfs/dbraw/zinc/72/68/07/458726807.db2.gz YBJIHEIWDGJRLF-WBVHZDCISA-N 0 3 338.398 3.186 40 0 EGABHN O=S1(=O)CCC(CCNCc2ccsc2C(F)(F)F)CC1 ZINC000527688547 459701585 /nfs/dbraw/zinc/70/15/85/459701585.db2.gz PUEOBPVXTMSHBW-UHFFFAOYSA-N 0 3 341.420 3.071 40 0 EGABHN CCOC[C@H]1CCN(C)C2(CN(Cc3ccc4ccccc4n3)C2)C1 ZINC000585103084 459824087 /nfs/dbraw/zinc/82/40/87/459824087.db2.gz PTBCBYGJZZPANP-KRWDZBQOSA-N 0 3 339.483 3.168 40 0 EGABHN CN(Cc1cccnc1)C[C@@H]1CCC2(CN(CC3CCCC3)C2)OC1 ZINC000585104940 459825074 /nfs/dbraw/zinc/82/50/74/459825074.db2.gz MQGNAMOURQFESF-FQEVSTJZSA-N 0 3 343.515 3.185 40 0 EGABHN O=c1cc(-c2noc([C@@H]3CCCN(Cc4ccccc4)C3)n2)cc[nH]1 ZINC000585141764 459829915 /nfs/dbraw/zinc/82/99/15/459829915.db2.gz XRBKHBRKHAQMBX-MRXNPFEDSA-N 0 3 336.395 3.217 40 0 EGABHN O=C(NCC1CCN([C@H]2CCOC2)CC1)c1cc2ccccc2s1 ZINC000575605874 459979570 /nfs/dbraw/zinc/97/95/70/459979570.db2.gz HTNCWEMUOSVYOE-INIZCTEOSA-N 0 3 344.480 3.132 40 0 EGABHN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccnc(N)c1 ZINC000193342850 536360035 /nfs/dbraw/zinc/36/00/35/536360035.db2.gz AVSPKSNEWWFAKP-UHFFFAOYSA-N 0 3 339.418 3.258 40 0 EGABHN COc1cccc(N2CCN(C[C@H]3CCOc4ccccc43)CC2)c1 ZINC000678122083 549400726 /nfs/dbraw/zinc/40/07/26/549400726.db2.gz FTEPYZNWCDSHEG-QGZVFWFLSA-N 0 3 338.451 3.384 40 0 EGABHN O=C1N[C@@]2(C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)Nc2ccccc21 ZINC000100208132 219094242 /nfs/dbraw/zinc/09/42/42/219094242.db2.gz GCDQDEGRKPDDRC-UPHUGPLXSA-N 0 3 333.435 3.365 40 0 EGABHN CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 ZINC000066055333 215004990 /nfs/dbraw/zinc/00/49/90/215004990.db2.gz ZTZWBICGABZDQN-RBUKOAKNSA-N 0 3 337.419 3.181 40 0 EGABHN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1cnn(C(C)(C)C)c1 ZINC000183396624 235048176 /nfs/dbraw/zinc/04/81/76/235048176.db2.gz PSWAXIAVMHAQMB-YJBOKZPZSA-N 0 3 327.476 3.356 40 0 EGABHN CC(C)CN1CCC[C@H]1c1nc(-c2ccc(-n3ccnc3)nc2)no1 ZINC000035425755 213027147 /nfs/dbraw/zinc/02/71/47/213027147.db2.gz IUCJFIOKTDIULZ-HNNXBMFYSA-N 0 3 338.415 3.110 40 0 biogenic,in-vitro EGABHN COCCN1CCCC[C@H]1c1nc(N)ncc1-c1cccc(F)c1 ZINC000072376820 216179583 /nfs/dbraw/zinc/17/95/83/216179583.db2.gz IPSJWOVWMQEHOX-INIZCTEOSA-N 0 3 330.407 3.038 40 0 EGABHN O=c1cc(C2CC[NH+](Cc3ccccn3)CC2)nc(-c2cccnc2)[n-]1 ZINC000072392766 216191098 /nfs/dbraw/zinc/19/10/98/216191098.db2.gz HJKGJRMRTGJPED-UHFFFAOYSA-N 0 3 347.422 3.019 40 0 EGABHN C[C@]12C[C@@H](c3ccccc3Br)N[C@H]1CCCCC(=O)N2 ZINC000212420584 241087473 /nfs/dbraw/zinc/08/74/73/241087473.db2.gz OPDYIZPGGDXGDF-DZKIICNBSA-N 0 3 337.261 3.301 40 0 EGABHN CCOc1ccc(CN2CCC[C@H](c3nccs3)C2)cc1CO ZINC000257217661 244173556 /nfs/dbraw/zinc/17/35/56/244173556.db2.gz CZZJSSMZUFOPJC-HNNXBMFYSA-N 0 3 332.469 3.414 40 0 EGABHN Cc1ncsc1CN1CCC[C@@H](c2nccnc2-c2ncc[nH]2)C1 ZINC000257222488 244189880 /nfs/dbraw/zinc/18/98/80/244189880.db2.gz DTLWDBDHQUWTSY-CYBMUJFWSA-N 0 3 340.456 3.011 40 0 EGABHN c1ccc(-c2nnc(CN3CCN(C4CCCCC4)CC3)o2)cc1 ZINC000020027057 212094917 /nfs/dbraw/zinc/09/49/17/212094917.db2.gz HGXCGVUZIJPLMU-UHFFFAOYSA-N 0 3 326.444 3.187 40 0 EGABHN CN(C)c1nc([C@@]2(C)CCCN(Cc3cccnc3)C2)cn2cccc12 ZINC000257273718 244386358 /nfs/dbraw/zinc/38/63/58/244386358.db2.gz NHWMPKMUEJOLAB-NRFANRHFSA-N 0 3 349.482 3.349 40 0 EGABHN CCN1CCC[C@H]1CN(Cc1cccs1)Cc1cnc(OC)nc1 ZINC000019527206 212037901 /nfs/dbraw/zinc/03/79/01/212037901.db2.gz KLWHXNHOTUPJJB-INIZCTEOSA-N 0 3 346.500 3.033 40 0 EGABHN Cc1ccsc1CN1CCC[C@H](c2noc(-c3cnccn3)n2)C1 ZINC000019238636 212008909 /nfs/dbraw/zinc/00/89/09/212008909.db2.gz MYHDALXXXJETIC-ZDUSSCGKSA-N 0 3 341.440 3.276 40 0 EGABHN COc1ccc(CN[C@@H]2CCN(c3ccccc3)C2)c(OC)c1OC ZINC000078604201 217085718 /nfs/dbraw/zinc/08/57/18/217085718.db2.gz PWPBGLVZDFPWOR-MRXNPFEDSA-N 0 3 342.439 3.081 40 0 EGABHN OCC[C@H]1CCCCN1Cc1ccc(OCc2ccccn2)cc1 ZINC000078776835 217120547 /nfs/dbraw/zinc/12/05/47/217120547.db2.gz QRQNJXFZIQHWDD-LJQANCHMSA-N 0 3 326.440 3.398 40 0 EGABHN Clc1cc(Cl)cc(OCCN2CCC(n3cncn3)CC2)c1 ZINC000096424168 218791667 /nfs/dbraw/zinc/79/16/67/218791667.db2.gz QNNUHNAAPAFDAY-UHFFFAOYSA-N 0 3 341.242 3.301 40 0 EGABHN Cc1n[nH]c(C)c1NC(=O)CN[C@@H]1c2ccccc2CCC1(C)C ZINC000097373758 219017113 /nfs/dbraw/zinc/01/71/13/219017113.db2.gz MGZNKUJCDLLXQN-GOSISDBHSA-N 0 3 326.444 3.268 40 0 EGABHN CN1CCC2(CN(C(=O)c3cccnc3)c3ccc(Cl)cc32)CC1 ZINC000096161075 273873223 /nfs/dbraw/zinc/87/32/23/273873223.db2.gz CLAJTBHAENCBBS-UHFFFAOYSA-N 0 3 341.842 3.359 40 0 EGABHN Cc1cc2cccnc2c(NC(=O)N2CCC(N3CC=CC3)CC2)c1 ZINC000156984419 323222267 /nfs/dbraw/zinc/22/22/67/323222267.db2.gz OZEDYUKCSUCNPM-UHFFFAOYSA-N 0 3 336.439 3.411 40 0 EGABHN CC[C@H](CO)NCc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000008337065 453194001 /nfs/dbraw/zinc/19/40/01/453194001.db2.gz PGZDGEWXDHBFAJ-GOSISDBHSA-N 0 3 329.440 3.443 40 0 EGABHN O[C@]1(c2ccc(F)cc2)CCC[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000013266185 453456104 /nfs/dbraw/zinc/45/61/04/453456104.db2.gz JYZMRAZKRRPYGD-UXPWSPDFSA-N 0 3 326.415 3.340 40 0 EGABHN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C1CCCCC1 ZINC000015256844 453563381 /nfs/dbraw/zinc/56/33/81/453563381.db2.gz JZKMUDOUBSGEQA-CQSZACIVSA-N 0 3 329.444 3.015 40 0 EGABHN CCOc1cc(CNCCN(C)C)ccc1OCc1cccs1 ZINC000022076373 453686565 /nfs/dbraw/zinc/68/65/65/453686565.db2.gz KJJQTAZPCXVMBU-UHFFFAOYSA-N 0 3 334.485 3.377 40 0 EGABHN CC1CCC(N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)CC1 ZINC000058017038 454161114 /nfs/dbraw/zinc/16/11/14/454161114.db2.gz QXPFMRDNXAMFBZ-PCKAHOCUSA-N 0 3 343.471 3.261 40 0 EGABHN COc1ccc([C@@H](N)c2nc(COc3ccc(Cl)cc3)n[nH]2)cc1 ZINC000095533651 454230995 /nfs/dbraw/zinc/23/09/95/454230995.db2.gz IYDXTEPDVDZTBV-MRXNPFEDSA-N 0 3 344.802 3.094 40 0 EGABHN Cc1cccc(CN2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)n1 ZINC000096039806 454265769 /nfs/dbraw/zinc/26/57/69/454265769.db2.gz UVKUOMVUHHETHJ-WOJBJXKFSA-N 0 3 330.472 3.188 40 0 EGABHN Cc1ccc(CN2CC[C@H]3OCC[C@@H](c4nc(C)no4)[C@H]3C2)s1 ZINC000096043443 454268622 /nfs/dbraw/zinc/26/86/22/454268622.db2.gz JKTASIIPWGWWRW-BZUAXINKSA-N 0 3 333.457 3.143 40 0 EGABHN COc1ccc(N[C@@H]2CO[C@@]3(CCN(Cc4ccc(C)o4)C3)C2)cc1 ZINC000096047620 454269431 /nfs/dbraw/zinc/26/94/31/454269431.db2.gz RYDSDZICONIUEZ-PXNSSMCTSA-N 0 3 342.439 3.442 40 0 EGABHN Fc1cnc(N2CCC[C@]3(CCN(Cc4cccs4)C3)C2)nc1 ZINC000096047173 454270046 /nfs/dbraw/zinc/27/00/46/454270046.db2.gz XIHAUTCLUGHFLR-QGZVFWFLSA-N 0 3 332.448 3.170 40 0 EGABHN c1ccc(CO[C@@H]2COC3(C2)CCN(Cc2ccncc2)CC3)cc1 ZINC000096047865 454271442 /nfs/dbraw/zinc/27/14/42/454271442.db2.gz WCNCXCIGHKHGDJ-FQEVSTJZSA-N 0 3 338.451 3.422 40 0 EGABHN Cc1noc(C)c1CN1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC000096050723 454272514 /nfs/dbraw/zinc/27/25/14/454272514.db2.gz LHSVGRLEFAVCRZ-IBGZPJMESA-N 0 3 343.402 3.060 40 0 EGABHN Fc1cccnc1O[C@H]1COC2(C1)CCN(Cc1ccoc1)CC2 ZINC000096107024 454284178 /nfs/dbraw/zinc/28/41/78/454284178.db2.gz DRJXNFQDXFJQTF-OAHLLOKOSA-N 0 3 332.375 3.016 40 0 EGABHN c1cc(CN2CC[C@]3(C[C@H](OCc4ccncc4)CO3)C2)cs1 ZINC000096107634 454285494 /nfs/dbraw/zinc/28/54/94/454285494.db2.gz JTFDHFZONJECPW-ROUUACIJSA-N 0 3 330.453 3.093 40 0 EGABHN Cc1cnc(N[C@@H]2CCO[C@]3(CCN(Cc4ccsc4)C3)C2)nc1 ZINC000096208521 454304296 /nfs/dbraw/zinc/30/42/96/454304296.db2.gz UFMALBZSBFBSGM-SJLPKXTDSA-N 0 3 344.484 3.082 40 0 EGABHN Cc1ccc(CN2CCC3(C[C@@H](Oc4ccccn4)CO3)CC2)o1 ZINC000096205990 454304483 /nfs/dbraw/zinc/30/44/83/454304483.db2.gz VSQPZOBSIWQUAG-QGZVFWFLSA-N 0 3 328.412 3.186 40 0 EGABHN Cc1ccc(CN2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)o1 ZINC000096209183 454305756 /nfs/dbraw/zinc/30/57/56/454305756.db2.gz IZSSLTRKTRSYCL-PMACEKPBSA-N 0 3 342.439 3.323 40 0 EGABHN FC1(F)CCN(Cc2ccccc2)C[C@@]12CCN(c1cnccn1)C2 ZINC000096239720 454311634 /nfs/dbraw/zinc/31/16/34/454311634.db2.gz XKWNHACAZPYHFN-GOSISDBHSA-N 0 3 344.409 3.214 40 0 EGABHN Cc1nc(Cl)cc(NCc2ccccc2CN2CCC(O)CC2)n1 ZINC000096429799 454341207 /nfs/dbraw/zinc/34/12/07/454341207.db2.gz YETBQYAHVKHMCR-UHFFFAOYSA-N 0 3 346.862 3.007 40 0 EGABHN CN1CCC[C@@H](CNC(=O)Nc2nccs2)[C@@H]1c1cccs1 ZINC000096433656 454344625 /nfs/dbraw/zinc/34/46/25/454344625.db2.gz AKUGBXNTCMXDRE-WCQYABFASA-N 0 3 336.486 3.409 40 0 EGABHN CCN(Cc1c(C)noc1C)CC1CCN(c2ccccn2)CC1 ZINC000096441736 454351127 /nfs/dbraw/zinc/35/11/27/454351127.db2.gz BHGHJWTZLAFBOL-UHFFFAOYSA-N 0 3 328.460 3.425 40 0 EGABHN O=C(/C=C/c1nc2ccccc2o1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000065607442 454601544 /nfs/dbraw/zinc/60/15/44/454601544.db2.gz PRVGTBSRSHTQQA-SXSDINLZSA-N 0 3 347.418 3.232 40 0 EGABHN C[C@@H](NC[C@]1(O)CCSC1)c1ccc(Br)cc1F ZINC000127506712 454971461 /nfs/dbraw/zinc/97/14/61/454971461.db2.gz OWLNPRLSFIEJBZ-NOZJJQNGSA-N 0 3 334.254 3.107 40 0 EGABHN COCc1nc(CNc2cccc3c2CN([C@@H](C)C(C)C)C3)no1 ZINC000182492633 455525343 /nfs/dbraw/zinc/52/53/43/455525343.db2.gz GNCUTXSVIGXMHX-ZDUSSCGKSA-N 0 3 330.432 3.188 40 0 EGABHN C[C@H](NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1cc2ccccc2s1 ZINC000249200133 455746362 /nfs/dbraw/zinc/74/63/62/455746362.db2.gz SPTMVSHULUINCB-QEJZJMRPSA-N 0 3 332.469 3.188 40 0 EGABHN CCn1cncc1CN1C[C@@H]2CCC[C@@](O)(c3ccc(F)cc3)[C@@H]2C1 ZINC000249701598 455767673 /nfs/dbraw/zinc/76/76/73/455767673.db2.gz YQYYLUYPHMUQTK-CWFSZBLJSA-N 0 3 343.446 3.162 40 0 EGABHN CO[C@H](CN1CCC(C(=O)N[C@H](C)C(C)C)CC1)c1ccccc1 ZINC000252491260 455811733 /nfs/dbraw/zinc/81/17/33/455811733.db2.gz LJVKCLCTHLTMOT-VQIMIIECSA-N 0 3 332.488 3.247 40 0 EGABHN Cn1nccc1CN1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000253428189 455846638 /nfs/dbraw/zinc/84/66/38/455846638.db2.gz CFJIHVLHZQYKNH-OXQOHEQNSA-N 0 3 349.438 3.024 40 0 EGABHN Cc1c[nH]nc1[C@H]1CCCCN1C(=O)c1ccc(CN(C)C)cc1 ZINC000257286392 455882956 /nfs/dbraw/zinc/88/29/56/455882956.db2.gz PLKUAQYFKPQQCB-QGZVFWFLSA-N 0 3 326.444 3.147 40 0 EGABHN CN(C)c1nc([C@@H]2CCCN(Cc3cccnc3)C2)cn2cccc12 ZINC000257311492 455888803 /nfs/dbraw/zinc/88/88/03/455888803.db2.gz UJSGXYSKAJBFKI-QGZVFWFLSA-N 0 3 335.455 3.175 40 0 EGABHN COc1ccc2ccccc2c1CN1CCC2(CC1)OCCC[C@H]2O ZINC000257324595 455891410 /nfs/dbraw/zinc/89/14/10/455891410.db2.gz WPJFHASFKYMQMR-HXUWFJFHSA-N 0 3 341.451 3.354 40 0 EGABHN COc1ccc(CN2CCC3(CC2)OCCC[C@H]3O)c2ccccc12 ZINC000257332109 455894649 /nfs/dbraw/zinc/89/46/49/455894649.db2.gz XVUQHEHVFZLCFN-HXUWFJFHSA-N 0 3 341.451 3.354 40 0 EGABHN C[C@H](CCN[C@@H](C)c1ccc(Br)cc1F)[S@](C)=O ZINC000215575544 456025448 /nfs/dbraw/zinc/02/54/48/456025448.db2.gz XRPXKFAWVUUINM-JJQCHNSYSA-N 0 3 336.270 3.396 40 0 EGABHN Cc1ccc(F)c(NC(=O)N2CC[C@@H](OCCN3CCCCC3)C2)c1 ZINC000195576325 455987300 /nfs/dbraw/zinc/98/73/00/455987300.db2.gz NOWVUMJJMKOQHS-MRXNPFEDSA-N 0 3 349.450 3.243 40 0 EGABHN CSc1nnc(NC(=O)c2ccc(CN3CCCC3)cc2)s1 ZINC000224402397 456066385 /nfs/dbraw/zinc/06/63/85/456066385.db2.gz CYEKVAPPZSFSMJ-UHFFFAOYSA-N 0 3 334.470 3.108 40 0 EGABHN CCCC[C@H](C)C(=O)Nc1ccc(CCN2CCN(C)CC2)cc1 ZINC000225692421 456104680 /nfs/dbraw/zinc/10/46/80/456104680.db2.gz ASAIRWNPADFDRV-KRWDZBQOSA-N 0 3 331.504 3.241 40 0 EGABHN c1coc(CN2CC[C@@]3(C2)CN(Cc2cccnc2)c2cccnc23)c1 ZINC000306143744 456570282 /nfs/dbraw/zinc/57/02/82/456570282.db2.gz YLFNFIALNDUYOC-OAQYLSRUSA-N 0 3 346.434 3.234 40 0 EGABHN O=C(c1cc(F)c(F)cc1Cl)N1CCC[C@@H](N2CCCC2)C1 ZINC000363615306 457384131 /nfs/dbraw/zinc/38/41/31/457384131.db2.gz GFTFACAEFSWZLY-LLVKDONJSA-N 0 3 328.790 3.319 40 0 EGABHN COc1cc2c(cc1F)nccc2N1CCN(C2CCCC2)CC1 ZINC000479911046 459172786 /nfs/dbraw/zinc/17/27/86/459172786.db2.gz MPNJTJHPPROJQJ-UHFFFAOYSA-N 0 3 329.419 3.447 40 0 EGABHN COCCN1CCC2(CC1)Oc1c(OC)cccc1[C@H]1OCCC[C@@H]12 ZINC000257285140 518057288 /nfs/dbraw/zinc/05/72/88/518057288.db2.gz PFVFHQWBCGKUMJ-FUHWJXTLSA-N 0 3 347.455 3.036 40 0 EGABHN O=C(c1ccsc1)N1C[C@@]2(CCN(CC3CC3)C2)c2ncccc21 ZINC000306128969 547460060 /nfs/dbraw/zinc/46/00/60/547460060.db2.gz HPVHCXGEXHMSQG-IBGZPJMESA-N 0 3 339.464 3.157 40 0 EGABHN CN(C)c1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000027604522 282286086 /nfs/dbraw/zinc/28/60/86/282286086.db2.gz QUCIEMKKFAHAMS-KRWDZBQOSA-N 0 3 343.496 3.381 40 0 EGABHN CSCCc1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1 ZINC000102716410 219224075 /nfs/dbraw/zinc/22/40/75/219224075.db2.gz IWVSTSTZHLLAGA-KRWDZBQOSA-N 0 3 331.485 3.070 40 0 EGABHN CN1CCN(C[C@@H](NCc2cc(F)ccc2F)c2ccccc2)CC1 ZINC000069171042 215367324 /nfs/dbraw/zinc/36/73/24/215367324.db2.gz CTPSBSHRSNPJOZ-HXUWFJFHSA-N 0 3 345.437 3.043 40 0 EGABHN CCN1CCC[C@@H](c2cc(Nc3nc(C)cc(C)n3)nc(C)n2)C1 ZINC000072363447 216169885 /nfs/dbraw/zinc/16/98/85/216169885.db2.gz DCIAKCIHLOPUOQ-OAHLLOKOSA-N 0 3 326.448 3.135 40 0 EGABHN Fc1ccc(-c2cc(CNCc3cccs3)c3nnnn3c2)cc1 ZINC000072392352 216190800 /nfs/dbraw/zinc/19/08/00/216190800.db2.gz YULLLWUNYFFQCF-UHFFFAOYSA-N 0 3 339.399 3.282 40 0 EGABHN C=Cn1cc(CN2CCCN(Cc3cccc(F)c3)CC2)c(C)n1 ZINC000022916179 212333929 /nfs/dbraw/zinc/33/39/29/212333929.db2.gz UXTZIYILWUDJCR-UHFFFAOYSA-N 0 3 328.435 3.139 40 0 EGABHN CCN(CC)CCN(C)[C@@](O)(C(=O)c1ccccc1)C1CCCCC1 ZINC000022588150 212307966 /nfs/dbraw/zinc/30/79/66/212307966.db2.gz KTGWDRXREWABPW-NRFANRHFSA-N 0 3 346.515 3.412 40 0 EGABHN Cc1nc(Nc2ccccn2)cc([C@H]2CCCN(Cc3cnc[nH]3)C2)n1 ZINC000257236688 244229262 /nfs/dbraw/zinc/22/92/62/244229262.db2.gz HDFRFVALZQLIQS-HNNXBMFYSA-N 0 3 349.442 3.026 40 0 EGABHN CCCCn1cc(CN2CCCC[C@]3(C)NC(=O)CC[C@H]23)c(C)n1 ZINC000257270440 244377654 /nfs/dbraw/zinc/37/76/54/244377654.db2.gz MUGGSPPDLFDWHH-HKUYNNGSSA-N 0 3 332.492 3.015 40 0 EGABHN CCC[C@@H](C(=O)N[C@H](C)CN1CCCCCC1)n1nc(C)cc1C ZINC000019501812 212033956 /nfs/dbraw/zinc/03/39/56/212033956.db2.gz TXJCKAAVZNNFFL-AEFFLSMTSA-N 0 3 334.508 3.222 40 0 EGABHN O=C(OCCN1CCCCC1)[C@H](c1ccccc1)C1(O)CCCC1 ZINC000001668937 284451565 /nfs/dbraw/zinc/45/15/65/284451565.db2.gz RZYRCRNNLDPHAI-SFHVURJKSA-N 0 3 331.456 3.104 40 0 EGABHN Cc1cc2nc([C@@H]3CCCN(Cc4ccc(F)cc4)C3)cc(N)n2n1 ZINC000012185882 211314038 /nfs/dbraw/zinc/31/40/38/211314038.db2.gz YHHQYRVLRKXMQZ-OAHLLOKOSA-N 0 3 339.418 3.139 40 0 EGABHN Cc1cnccc1-c1cnc(N(C)CCN(C)C)nc1-c1ccco1 ZINC000012144377 211304519 /nfs/dbraw/zinc/30/45/19/211304519.db2.gz QXOUOWCRRDXYQL-UHFFFAOYSA-N 0 3 337.427 3.105 40 0 EGABHN CN1CCC[C@H](CNC(=S)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000009876547 211129674 /nfs/dbraw/zinc/12/96/74/211129674.db2.gz GAHALRUJSWSMDI-LLVKDONJSA-N 0 3 331.407 3.334 40 0 EGABHN c1ccc(CO[C@H]2COC3(C2)CCN(Cc2ccccn2)CC3)cc1 ZINC000096047860 218536467 /nfs/dbraw/zinc/53/64/67/218536467.db2.gz BAVPYNRVSDXKRF-HXUWFJFHSA-N 0 3 338.451 3.422 40 0 EGABHN O=C(CNCCc1ccccc1)Nc1ccccc1N1CCCCC1 ZINC000035311482 132389289 /nfs/dbraw/zinc/38/92/89/132389289.db2.gz QPRRPENFZPKWSB-UHFFFAOYSA-N 0 3 337.467 3.448 40 0 EGABHN C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(C(=O)NCCN(C)C)ccc1OC2(C)C ZINC000257242463 287716026 /nfs/dbraw/zinc/71/60/26/287716026.db2.gz ICQBTNXZTQFLGY-QBIMZIAESA-N 0 3 346.471 3.005 40 0 EGABHN CN1C(=O)[C@@H](c2ccccc2)C2(CCN(Cc3ccccc3)CC2)C1=O ZINC000039271124 277019341 /nfs/dbraw/zinc/01/93/41/277019341.db2.gz VWWROGPEPKDAAA-LJQANCHMSA-N 0 3 348.446 3.051 40 0 EGABHN C[C@@H](c1ccccc1)N1CCC(N2C(=O)N3CCC[C@@]3(C)C2=O)CC1 ZINC000253630257 278419313 /nfs/dbraw/zinc/41/93/13/278419313.db2.gz QPJUITBSPGLSNS-YWZLYKJASA-N 0 3 341.455 3.029 40 0 EGABHN CN1CCC(C(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)CC1 ZINC000097236581 323215178 /nfs/dbraw/zinc/21/51/78/323215178.db2.gz XLDZKVVECRPXTF-CYBMUJFWSA-N 0 3 336.304 3.026 40 0 EGABHN O=C(Nc1cccc(-c2ncco2)c1)N1CCC(N2CC=CC2)CC1 ZINC000102317088 323215895 /nfs/dbraw/zinc/21/58/95/323215895.db2.gz GGNHMZUZMOGYDU-UHFFFAOYSA-N 0 3 338.411 3.210 40 0 EGABHN COc1cc(OC)c(C(=O)CCCN2CCC[C@H](C)C2)c(OC)c1 ZINC000000000599 452492303 /nfs/dbraw/zinc/49/23/03/452492303.db2.gz KMXVFCRYIUCLRS-AWEZNQCLSA-N 0 3 335.444 3.407 40 0 in-man EGABHN COc1cccc(CNC[C@H](C)O)c1OCc1ccc(Cl)cc1 ZINC000008498049 453208919 /nfs/dbraw/zinc/20/89/19/453208919.db2.gz QCXXABIGWFYBLH-ZDUSSCGKSA-N 0 3 335.831 3.398 40 0 EGABHN CC(=O)N1CCCc2cc([C@@H](O)CN3CCCC(C)(C)C3)ccc21 ZINC000012291247 453354961 /nfs/dbraw/zinc/35/49/61/453354961.db2.gz MHAIGNNTCKOVOB-IBGZPJMESA-N 0 3 330.472 3.141 40 0 EGABHN Clc1ccccc1[C@@H](CNc1ncnc2n[nH]cc21)N1CCCC1 ZINC000012547874 453373247 /nfs/dbraw/zinc/37/32/47/453373247.db2.gz OVPQLSPQWPAZDB-OAHLLOKOSA-N 0 3 342.834 3.255 40 0 EGABHN OC1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000016338454 453601116 /nfs/dbraw/zinc/60/11/16/453601116.db2.gz VROCYHLYAAJGIO-UHFFFAOYSA-N 0 3 333.435 3.496 40 0 EGABHN CCN(CC)CCNCc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000022076868 453686802 /nfs/dbraw/zinc/68/68/02/453686802.db2.gz CYRADGSSGVZCML-UHFFFAOYSA-N 0 3 330.428 3.165 40 0 EGABHN CO[C@@H](C(=O)NC[C@H](c1ccc(C)cc1)N(C)C)c1ccccc1 ZINC000067267504 453915698 /nfs/dbraw/zinc/91/56/98/453915698.db2.gz UIXSNYXSNQXSTR-RTBURBONSA-N 0 3 326.440 3.102 40 0 EGABHN O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044932054 454127175 /nfs/dbraw/zinc/12/71/75/454127175.db2.gz HHFOHZCJDBXJLQ-QGZVFWFLSA-N 0 3 344.405 3.493 40 0 EGABHN O=C(NCC1CCN(c2ccncc2)CC1)Nc1c(F)cccc1F ZINC000070928913 454186169 /nfs/dbraw/zinc/18/61/69/454186169.db2.gz RKYCSLDXTCWJMY-UHFFFAOYSA-N 0 3 346.381 3.398 40 0 EGABHN Cc1ccc(CN2CCC3(CCN(C(=O)c4cccnc4)C3)CC2)o1 ZINC000096046566 454270566 /nfs/dbraw/zinc/27/05/66/454270566.db2.gz FWPLIVBERVIKIX-UHFFFAOYSA-N 0 3 339.439 3.111 40 0 EGABHN O=C(C[C@H]1COC2(C1)CCN(Cc1ccsc1)CC2)N1CCCC1 ZINC000096048171 454271309 /nfs/dbraw/zinc/27/13/09/454271309.db2.gz RGRQXLWERHYGJX-QGZVFWFLSA-N 0 3 348.512 3.132 40 0 EGABHN c1cc(CN2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)cs1 ZINC000096048241 454271588 /nfs/dbraw/zinc/27/15/88/454271588.db2.gz RYGMJMVSWIKWKK-ZWKOTPCHSA-N 0 3 330.453 3.346 40 0 EGABHN c1cc(CN2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)cs1 ZINC000096049543 454273132 /nfs/dbraw/zinc/27/31/32/454273132.db2.gz SSFJSEBYPSUXEG-IBGZPJMESA-N 0 3 343.496 3.262 40 0 EGABHN Cc1ccc(CN2CC[C@H]3[C@@H]2CC(=O)N3Cc2cccc(C)n2)s1 ZINC000096054038 454274644 /nfs/dbraw/zinc/27/46/44/454274644.db2.gz KQYSFQCJCDYOJZ-ROUUACIJSA-N 0 3 341.480 3.135 40 0 EGABHN COc1ccc(CN2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)cc1 ZINC000096057004 454274806 /nfs/dbraw/zinc/27/48/06/454274806.db2.gz BSSPCZNYZFNVOZ-LEWJYISDSA-N 0 3 345.483 3.493 40 0 EGABHN Cc1cc(N2CCN(C(C)C)CC2)ncc1[C@@H](O)c1ccccc1 ZINC000072223710 454275713 /nfs/dbraw/zinc/27/57/13/454275713.db2.gz PGTBARZPJWFEJR-FQEVSTJZSA-N 0 3 325.456 3.002 40 0 EGABHN Cc1ccc(CN2CCC3(CC[C@@H](C(=O)N4CCCC4)O3)CC2)s1 ZINC000096061235 454276626 /nfs/dbraw/zinc/27/66/26/454276626.db2.gz MLXVVDWQKWMWKP-KRWDZBQOSA-N 0 3 348.512 3.193 40 0 EGABHN Fc1cnccc1CN1CCC2(C[C@@H](Oc3ccccc3)CO2)CC1 ZINC000096073192 454279647 /nfs/dbraw/zinc/27/96/47/454279647.db2.gz XLCOYMVOQBCXLC-GOSISDBHSA-N 0 3 342.414 3.423 40 0 EGABHN c1csc(CN2CC[C@]3(C2)COCCN(Cc2ccoc2)C3)c1 ZINC000096087616 454280202 /nfs/dbraw/zinc/28/02/02/454280202.db2.gz QKQRLVGGYGBEPI-GOSISDBHSA-N 0 3 332.469 3.066 40 0 EGABHN c1cc(CN2CCC3(CO[C@H](COc4ccccn4)C3)CC2)co1 ZINC000096106196 454284304 /nfs/dbraw/zinc/28/43/04/454284304.db2.gz MQKZNTCYIALGIC-KRWDZBQOSA-N 0 3 328.412 3.125 40 0 EGABHN c1csc(CN2CCC[C@]3(C[C@@H](OCc4cccnc4)CO3)C2)c1 ZINC000096107275 454285123 /nfs/dbraw/zinc/28/51/23/454285123.db2.gz SSKWFHOGUFVRTO-MJGOQNOKSA-N 0 3 344.480 3.483 40 0 EGABHN c1ccc(CN2C[C@H]3CCC[C@@]3(COCC3CCOCC3)C2)nc1 ZINC000096109193 454285805 /nfs/dbraw/zinc/28/58/05/454285805.db2.gz LHJCHEOKYHDYGB-QUCCMNQESA-N 0 3 330.472 3.127 40 0 EGABHN CCCC[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC000072341112 454293782 /nfs/dbraw/zinc/29/37/82/454293782.db2.gz IUJOUIOLFLMBJD-UWVAXJGDSA-N 0 3 329.440 3.342 40 0 EGABHN Cc1cc(CN[C@H]2CCc3c(ccc(=O)n3CC3CC3)C2)oc1C ZINC000096189743 454300973 /nfs/dbraw/zinc/30/09/73/454300973.db2.gz FVKHVFRHQCGFJO-KRWDZBQOSA-N 0 3 326.440 3.115 40 0 EGABHN c1csc(CN2CC[C@@H]3OCCN(c4cccnc4)[C@H]3CC2)c1 ZINC000096249429 454311150 /nfs/dbraw/zinc/31/11/50/454311150.db2.gz XUCSKECROGLCQN-ROUUACIJSA-N 0 3 329.469 3.013 40 0 EGABHN CN1CCC(NC(=O)Nc2ccc(COC3CCCC3)cc2)CC1 ZINC000096418126 454334725 /nfs/dbraw/zinc/33/47/25/454334725.db2.gz KCCVPHDMMMZWJB-UHFFFAOYSA-N 0 3 331.460 3.362 40 0 EGABHN Cc1ccc2cccc(C(=O)N(CCN(C)C)Cc3cccnc3)c2n1 ZINC000096420828 454335014 /nfs/dbraw/zinc/33/50/14/454335014.db2.gz DUXOMZIQFKHFJV-UHFFFAOYSA-N 0 3 348.450 3.142 40 0 EGABHN CCc1cnc([C@@H](C)NC2CCN(Cc3ccccn3)CC2)s1 ZINC000096479066 454364012 /nfs/dbraw/zinc/36/40/12/454364012.db2.gz XCQSYRQEIXMOCO-CQSZACIVSA-N 0 3 330.501 3.416 40 0 EGABHN COc1ccc(C)cc1[C@H](C)NC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000096499686 454371700 /nfs/dbraw/zinc/37/17/00/454371700.db2.gz QNVQELPUXOIYMT-BQFCYCMXSA-N 0 3 345.487 3.190 40 0 EGABHN Cc1ncccc1CN1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000097375534 454434124 /nfs/dbraw/zinc/43/41/24/454434124.db2.gz GRQXVFIOODIXBH-BBWFWOEESA-N 0 3 331.460 3.125 40 0 EGABHN COc1ccc(OC)c(NC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c1 ZINC000109033233 454820177 /nfs/dbraw/zinc/82/01/77/454820177.db2.gz OMVFRRMEUIIWAT-UONOGXRCSA-N 0 3 335.448 3.088 40 0 EGABHN CCN1CC[C@H](N(C)C(=O)C[C@H](C)C(=O)c2cccc(F)c2)[C@H](C)C1 ZINC000110652229 454850472 /nfs/dbraw/zinc/85/04/72/454850472.db2.gz CPKYYEDSOCVBCR-DAYGRLMNSA-N 0 3 348.462 3.223 40 0 EGABHN Cc1ncsc1CCN[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185441521 455558591 /nfs/dbraw/zinc/55/85/91/455558591.db2.gz GERFECPCQJOMCS-KRWDZBQOSA-N 0 3 330.432 3.246 40 0 EGABHN CCc1ocnc1C(=O)OC[C@H]1CCN(C)[C@H]1c1ccc(OC)cc1 ZINC000248179510 455695117 /nfs/dbraw/zinc/69/51/17/455695117.db2.gz CKKHVRQLKVUALX-KDOFPFPSSA-N 0 3 344.411 3.095 40 0 EGABHN COCCC1(CN2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)CCCCC1 ZINC000249940761 455783715 /nfs/dbraw/zinc/78/37/15/455783715.db2.gz SYVKWEDGZQGWQE-KZNAEPCWSA-N 0 3 325.493 3.242 40 0 EGABHN Cc1ccc([C@H](CNC(=O)c2cccc(CO)c2)N2CCCC2)cc1 ZINC000252486678 455810525 /nfs/dbraw/zinc/81/05/25/455810525.db2.gz HOLVKOLBIQTUDW-FQEVSTJZSA-N 0 3 338.451 3.054 40 0 EGABHN COC(=O)N1CCC([C@H](C)NCc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000194424646 455840309 /nfs/dbraw/zinc/84/03/09/455840309.db2.gz FUCIXIUGVAQFGS-AWEZNQCLSA-N 0 3 342.443 3.033 40 0 EGABHN Cc1c[nH]nc1[C@@H]1CCCCN1C(=O)c1ccc(CN(C)C)cc1 ZINC000257286391 455883179 /nfs/dbraw/zinc/88/31/79/455883179.db2.gz PLKUAQYFKPQQCB-KRWDZBQOSA-N 0 3 326.444 3.147 40 0 EGABHN CCCCN(Cc1ccccc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000257328155 455893558 /nfs/dbraw/zinc/89/35/58/455893558.db2.gz XEKOWODOWKTQOJ-QZTJIDSGSA-N 0 3 348.487 3.269 40 0 EGABHN Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3cccc(F)c3)C2)n1 ZINC000257328122 455893570 /nfs/dbraw/zinc/89/35/70/455893570.db2.gz XEFYLPRJQGVDCO-OAHLLOKOSA-N 0 3 327.403 3.225 40 0 EGABHN CN(Cc1ccc(OCCF)cc1)C[C@H](O)COC1CCCCC1 ZINC000257340316 455895834 /nfs/dbraw/zinc/89/58/34/455895834.db2.gz ZFLZHECZQCJKTK-KRWDZBQOSA-N 0 3 339.451 3.177 40 0 EGABHN COc1ccc2c(c1)CN(Cc1ccccc1)CC[C@H]1COC(=O)N21 ZINC000225490555 456087702 /nfs/dbraw/zinc/08/77/02/456087702.db2.gz IDAIJVREPYJCCZ-KRWDZBQOSA-N 0 3 338.407 3.426 40 0 biogenic,in-vitro EGABHN Nc1cccc2c1ccnc2N1CCN(CCc2ccccc2)CC1 ZINC000663362346 461591582 /nfs/dbraw/zinc/59/15/82/461591582.db2.gz KKLSKEXLGLVRMP-UHFFFAOYSA-N 0 3 332.451 3.182 40 0 EGABHN COc1ccc([C@H]2CN(C)[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]32)cc1 ZINC000257206029 536944936 /nfs/dbraw/zinc/94/49/36/536944936.db2.gz BBNZCIHKSGLHOK-KZNAEPCWSA-N 0 3 346.471 3.492 40 0 EGABHN Fc1ccc(CN2C[C@@H]3Cn4c(-c5cccnc5)cnc4[C@@H]3C2)cc1 ZINC000306129616 547460154 /nfs/dbraw/zinc/46/01/54/547460154.db2.gz IIGCIKXSOAARGS-SJLPKXTDSA-N 0 3 334.398 3.313 40 0 EGABHN CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(C(C)=O)cc1 ZINC000008300472 560208753 /nfs/dbraw/zinc/20/87/53/560208753.db2.gz KUJCDBLGXSXSFC-QILLFSRXSA-N 0 3 329.444 3.131 40 0 biogenic,in-vitro EGABHN CCC[C@@H](NCC(=O)NC(=O)NCc1ccccc1)c1ccccc1 ZINC000057293240 214417318 /nfs/dbraw/zinc/41/73/18/214417318.db2.gz RSSJIMYIAVHXAR-GOSISDBHSA-N 0 3 339.439 3.143 40 0 EGABHN Cn1c(=O)c2c3c(sc2nc1SCCN1CCCCC1)CCC3 ZINC000004167742 210138769 /nfs/dbraw/zinc/13/87/69/210138769.db2.gz OSZATSSCPMNEIS-UHFFFAOYSA-N 0 3 349.525 3.062 40 0 EGABHN O[C@]1(c2cccnc2)CCC[C@H]2CN(Cc3c(F)cccc3F)C[C@H]21 ZINC000072342994 216159059 /nfs/dbraw/zinc/15/90/59/216159059.db2.gz SWBIKSIPDQMZTB-NQYLQCIDSA-N 0 3 344.405 3.480 40 0 EGABHN Cc1c([C@@H](C)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1C(C)C ZINC000191285577 239017586 /nfs/dbraw/zinc/01/75/86/239017586.db2.gz KVEZFVINHICKCP-HIFRSBDPSA-N 0 3 336.480 3.432 40 0 EGABHN O[C@@]1(CNCc2cc(Br)c(Cl)s2)CCSC1 ZINC000191274107 239006182 /nfs/dbraw/zinc/00/61/82/239006182.db2.gz ZQUYENPNLGXSHE-SNVBAGLBSA-N 0 3 342.711 3.122 40 0 EGABHN CCn1cncc1CN(Cc1cccs1)C[C@H]1CCCN1CC ZINC000023247885 212363675 /nfs/dbraw/zinc/36/36/75/212363675.db2.gz YPQOSTXSFYRXDM-MRXNPFEDSA-N 0 3 332.517 3.451 40 0 EGABHN CO[C@@]1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCC[C@H](C)C1 ZINC000225634822 241963382 /nfs/dbraw/zinc/96/33/82/241963382.db2.gz OVNZGYXIATZWIR-KXBFYZLASA-N 0 3 334.460 3.161 40 0 EGABHN Cc1cccnc1Nc1nccnc1[C@H]1CCCN(Cc2cnc[nH]2)C1 ZINC000257210430 244149565 /nfs/dbraw/zinc/14/95/65/244149565.db2.gz BUNXBFTWRXRXMD-HNNXBMFYSA-N 0 3 349.442 3.026 40 0 EGABHN CN1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCCN2C(=O)c1cscn1 ZINC000257227781 244206102 /nfs/dbraw/zinc/20/61/02/244206102.db2.gz FQVYYRUUBZFBET-SZMVWBNQSA-N 0 3 341.480 3.236 40 0 EGABHN CCN1CCC[C@@H]1CN(Cc1cccs1)Cc1cnc(OC)nc1 ZINC000019527205 212038135 /nfs/dbraw/zinc/03/81/35/212038135.db2.gz KLWHXNHOTUPJJB-MRXNPFEDSA-N 0 3 346.500 3.033 40 0 EGABHN CC(=O)N1C[C@@H](c2cccc(C)c2)[C@@H]2CN(Cc3cccnc3)CC[C@@H]21 ZINC000019235230 212006769 /nfs/dbraw/zinc/00/67/69/212006769.db2.gz DKYXJZPOCLVVPH-FKBYEOEOSA-N 0 3 349.478 3.226 40 0 EGABHN CCN1CCC(N(C)C(=O)Cc2cc(Cl)ccc2Cl)CC1 ZINC000079330415 217209766 /nfs/dbraw/zinc/20/97/66/217209766.db2.gz HFPDMINOLSPQHY-UHFFFAOYSA-N 0 3 329.271 3.479 40 0 EGABHN OC1(c2ccccn2)[C@@H]2CCC[C@H]1CN(Cc1cccc(F)c1)C2 ZINC000012089057 211289719 /nfs/dbraw/zinc/28/97/19/211289719.db2.gz PZTPBOSQDDSFSY-XEWABKELSA-N 0 3 326.415 3.340 40 0 EGABHN C[C@H](NCC[C@H](C)[S@](C)=O)c1ccc(Br)cc1F ZINC000119208853 221265859 /nfs/dbraw/zinc/26/58/59/221265859.db2.gz XRPXKFAWVUUINM-LXIMFEHMSA-N 0 3 336.270 3.396 40 0 EGABHN CN1CCC(C(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)CC1 ZINC000097236579 323215062 /nfs/dbraw/zinc/21/50/62/323215062.db2.gz XLDZKVVECRPXTF-ZDUSSCGKSA-N 0 3 336.304 3.026 40 0 EGABHN CCn1nccc1CCN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000240902798 455265251 /nfs/dbraw/zinc/26/52/51/455265251.db2.gz IVMBBUHONVNSDX-KRWDZBQOSA-N 0 3 327.428 3.054 40 0 EGABHN Cc1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)c(C)c1 ZINC000000269020 452551784 /nfs/dbraw/zinc/55/17/84/452551784.db2.gz SKCJRTOFHOSXQJ-UHFFFAOYSA-N 0 3 337.467 3.454 40 0 EGABHN C[C@H]1C[C@@H](NCc2ccc([S@](C)=O)cc2)CN1c1ccccc1 ZINC000085330556 454022957 /nfs/dbraw/zinc/02/29/57/454022957.db2.gz XBRDIAKRCDIBDP-XSSDXNQZSA-N 0 3 328.481 3.181 40 0 EGABHN O[C@@H](CNCc1cnn(-c2ccc(F)cc2)c1)c1ccc(F)c(F)c1 ZINC000077400400 454101969 /nfs/dbraw/zinc/10/19/69/454101969.db2.gz XLKWPTAJEWUTCN-SFHVURJKSA-N 0 3 347.340 3.113 40 0 EGABHN Cc1cc(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)on1 ZINC000077512708 454115909 /nfs/dbraw/zinc/11/59/09/454115909.db2.gz GGTBXGLAINNQON-OAHLLOKOSA-N 0 3 328.416 3.111 40 0 EGABHN O=C(c1nc2c(s1)CCN(Cc1ccsc1)CC2)N1CCCC1 ZINC000096044165 454268147 /nfs/dbraw/zinc/26/81/47/454268147.db2.gz FPTJWMCEYJGUDH-UHFFFAOYSA-N 0 3 347.509 3.041 40 0 EGABHN COc1ccc(N[C@@H]2CO[C@]3(CCN(Cc4ccco4)C3)C2)cc1 ZINC000096047599 454269371 /nfs/dbraw/zinc/26/93/71/454269371.db2.gz PLQCHCGIHJJJDF-QFBILLFUSA-N 0 3 328.412 3.134 40 0 EGABHN Cc1ccc(N[C@H]2CO[C@@]3(C2)CCCN(Cc2ccsc2)C3)nn1 ZINC000096048442 454271836 /nfs/dbraw/zinc/27/18/36/454271836.db2.gz XKXNPPZXEKWQKL-SJLPKXTDSA-N 0 3 344.484 3.082 40 0 EGABHN Cc1ccc(CN2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)o1 ZINC000096047888 454271861 /nfs/dbraw/zinc/27/18/61/454271861.db2.gz CVXVAUSABMBETP-SFHVURJKSA-N 0 3 328.412 3.186 40 0 EGABHN c1coc(CN2CCC3(CO[C@H](COc4ccccn4)C3)CC2)c1 ZINC000096106194 454284474 /nfs/dbraw/zinc/28/44/74/454284474.db2.gz MLASOODXRSGNML-KRWDZBQOSA-N 0 3 328.412 3.125 40 0 EGABHN c1ccc(CN2CCC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)cc1 ZINC000096107298 454285083 /nfs/dbraw/zinc/28/50/83/454285083.db2.gz LRBLJZORAROKJT-RTWAWAEBSA-N 0 3 338.451 3.422 40 0 EGABHN Cc1ccsc1CN1CC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 ZINC000096107775 454285768 /nfs/dbraw/zinc/28/57/68/454285768.db2.gz UKRMBHVKNPGUOX-MJGOQNOKSA-N 0 3 344.480 3.402 40 0 EGABHN Cc1ccc(CN2CCC3(CC2)NC(=O)C[C@H]3c2ccncc2)cc1C ZINC000096199961 454303129 /nfs/dbraw/zinc/30/31/29/454303129.db2.gz QSBKIRWZSUESBP-FQEVSTJZSA-N 0 3 349.478 3.337 40 0 EGABHN c1ccc(CCN2CC[C@@H](OCc3ccccn3)[C@H]3OCC[C@@H]32)cc1 ZINC000096216300 454305338 /nfs/dbraw/zinc/30/53/38/454305338.db2.gz HWAXWOWGJSHPPO-HBMCJLEFSA-N 0 3 338.451 3.073 40 0 EGABHN O=C(c1cscn1)N1C[C@H]2CN(Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000096245501 454311879 /nfs/dbraw/zinc/31/18/79/454311879.db2.gz CCKWABDQABBHND-ZIAGYGMSSA-N 0 3 347.871 3.001 40 0 EGABHN CCN1C(=O)[C@]2(CC[C@@H]3CN(Cc4cccc(Cl)c4)C[C@@H]32)N=C1C ZINC000096261443 454314839 /nfs/dbraw/zinc/31/48/39/454314839.db2.gz CKGKYUXRXNUOLQ-HHXXYDBFSA-N 0 3 345.874 3.201 40 0 EGABHN O=C([C@@H]1C[C@H]1c1cccnc1)N(CCN1CCCC1)c1ccccc1 ZINC000096416799 454332771 /nfs/dbraw/zinc/33/27/71/454332771.db2.gz AUURWOZHATUEAA-VQTJNVASSA-N 0 3 335.451 3.314 40 0 EGABHN C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(F)cc(N3CCCC3)c2)CCN1C ZINC000096434435 454345430 /nfs/dbraw/zinc/34/54/30/454345430.db2.gz NAAWBLWANQAWPT-YOEHRIQHSA-N 0 3 348.466 3.372 40 0 EGABHN O=C(NCC1CCN(Cc2ccccc2F)CC1)[C@@H]1CCCS1 ZINC000096436394 454348009 /nfs/dbraw/zinc/34/80/09/454348009.db2.gz QQKHZCBOVXOPON-KRWDZBQOSA-N 0 3 336.476 3.050 40 0 EGABHN COc1cc(C)c([C@@H](C)N[C@H]2CCCN(C(C)C)C2=O)cc1OC ZINC000096449373 454354934 /nfs/dbraw/zinc/35/49/34/454354934.db2.gz JEVSAHRPPAVZMP-ZBFHGGJFSA-N 0 3 334.460 3.062 40 0 EGABHN COc1ccc2c(c1)OC[C@H](N[C@@H](C)c1cccc(NC(C)=O)c1)C2 ZINC000090964708 454355594 /nfs/dbraw/zinc/35/55/94/454355594.db2.gz HXGJAMMDBMOKFQ-SCLBCKFNSA-N 0 3 340.423 3.308 40 0 EGABHN CC[C@H](NCc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1 ZINC000079030932 454357401 /nfs/dbraw/zinc/35/74/01/454357401.db2.gz DHVWRVOFSIJDID-SFHVURJKSA-N 0 3 332.469 3.323 40 0 EGABHN O[C@H](CNC/C=C/c1ccco1)c1cc(Cl)c2c(c1)OCCO2 ZINC000096485907 454367175 /nfs/dbraw/zinc/36/71/75/454367175.db2.gz LTYFJQULQSEMDU-BQTXGFLSSA-N 0 3 335.787 3.041 40 0 EGABHN C[C@H](C1CC1)N(C)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000048309287 454471892 /nfs/dbraw/zinc/47/18/92/454471892.db2.gz UUXICRUWFHABRZ-CYBMUJFWSA-N 0 3 346.862 3.254 40 0 EGABHN CCc1nc(C(=O)N(CC)[C@H]2CCN([C@H](C)c3ccccc3)C2)c[nH]1 ZINC000110665061 454851215 /nfs/dbraw/zinc/85/12/15/454851215.db2.gz RXBKRUBEGBTBHF-WBVHZDCISA-N 0 3 340.471 3.270 40 0 EGABHN COc1ccc([C@H]2[C@H](CNC(=O)C3(SC)CC3)CCCN2C)cc1 ZINC000252499961 455815796 /nfs/dbraw/zinc/81/57/96/455815796.db2.gz SJZJRTORYXMECC-RDJZCZTQSA-N 0 3 348.512 3.090 40 0 EGABHN CCCc1occc1C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000252508370 455817531 /nfs/dbraw/zinc/81/75/31/455817531.db2.gz XLUVSBDGUFXCOD-UHFFFAOYSA-N 0 3 341.455 3.064 40 0 EGABHN c1csc(-c2n[nH]cc2CN2CCC(c3cnccn3)CC2)c1 ZINC000257291315 455883632 /nfs/dbraw/zinc/88/36/32/455883632.db2.gz QGLWIKWYFUYNBD-UHFFFAOYSA-N 0 3 325.441 3.308 40 0 EGABHN CC1(C)CCCN[C@@H]1C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000261798475 455950406 /nfs/dbraw/zinc/95/04/06/455950406.db2.gz ZSLLKEYOXSZZQA-CQSZACIVSA-N 0 3 344.377 3.022 40 0 EGABHN CN1CCC(NC(=O)CSCc2ccc(Cl)c(Cl)c2)CC1 ZINC000222734783 456049635 /nfs/dbraw/zinc/04/96/35/456049635.db2.gz CNHGMNSIVXIKGL-UHFFFAOYSA-N 0 3 347.311 3.437 40 0 EGABHN CC(C)(CN[C@@H](c1ccc(F)cc1)c1cccnc1)N1CCOCC1 ZINC000225577806 456094846 /nfs/dbraw/zinc/09/48/46/456094846.db2.gz LBIYZAPESWPVSI-IBGZPJMESA-N 0 3 343.446 3.011 40 0 EGABHN COc1ncccc1CN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000225614468 456098514 /nfs/dbraw/zinc/09/85/14/456098514.db2.gz GDAWVLJJDYONOI-UHFFFAOYSA-N 0 3 340.349 3.212 40 0 EGABHN CCO[C@@](C)(CC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225650107 456101803 /nfs/dbraw/zinc/10/18/03/456101803.db2.gz SVFUQIHCRUJREZ-IBGZPJMESA-N 0 3 334.460 3.305 40 0 EGABHN CCN1CCC(Nc2nc3ccccc3nc2N2CCCC2)CC1 ZINC000301899517 456246283 /nfs/dbraw/zinc/24/62/83/456246283.db2.gz YBTRDQKVUYWQDO-UHFFFAOYSA-N 0 3 325.460 3.126 40 0 EGABHN c1coc(CN2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306135050 456568314 /nfs/dbraw/zinc/56/83/14/456568314.db2.gz OFXGKGVPTFRISS-KRWDZBQOSA-N 0 3 345.406 3.374 40 0 EGABHN Cc1ccc(-c2cc(NC(=O)C3CCN(C4CC4)CC3)n[nH]2)s1 ZINC000282776449 456621814 /nfs/dbraw/zinc/62/18/14/456621814.db2.gz DREOQNZFOPYUGS-UHFFFAOYSA-N 0 3 330.457 3.260 40 0 EGABHN CCOCC[C@@H]1CCOC12CCN(Cc1cccc(OC)c1)CC2 ZINC000585104694 459823930 /nfs/dbraw/zinc/82/39/30/459823930.db2.gz LFSUBKBXEPCPDH-GOSISDBHSA-N 0 3 333.472 3.493 40 0 EGABHN O[C@H](CN1CCC(c2nc3ccccc3[nH]2)CC1)CC(F)(F)F ZINC000189662714 534425541 /nfs/dbraw/zinc/42/55/41/534425541.db2.gz SWOUQAQHNKCJKV-LBPRGKRZSA-N 0 3 327.350 3.056 40 0 EGABHN c1cnc(Oc2ccc(CN3CC[C@H](Oc4ccncc4)C3)cc2)cn1 ZINC000093866227 546688447 /nfs/dbraw/zinc/68/84/47/546688447.db2.gz KFTXLPGCJOVMOO-IBGZPJMESA-N 0 3 348.406 3.317 40 0 EGABHN Cc1cc(C)c(C)c(OC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000004305233 210165441 /nfs/dbraw/zinc/16/54/41/210165441.db2.gz NSUPENCYWPKROY-FQEVSTJZSA-N 0 3 325.452 3.410 40 0 EGABHN COC1(CN[C@H](C)c2ccc(Br)cc2F)CCOCC1 ZINC000128142134 222918455 /nfs/dbraw/zinc/91/84/55/222918455.db2.gz RDUKWGXUJHMXPZ-LLVKDONJSA-N 0 3 346.240 3.434 40 0 EGABHN CN(C)C1(CN(C)C(=O)N[C@H](c2ccco2)c2ccccc2)CCC1 ZINC000186846572 236040505 /nfs/dbraw/zinc/04/05/05/236040505.db2.gz DINGDUQZKFONBR-SFHVURJKSA-N 0 3 341.455 3.495 40 0 EGABHN CCOc1ccccc1CN1CCC(c2[nH]nc3nccnc32)CC1 ZINC000072393758 216192435 /nfs/dbraw/zinc/19/24/35/216192435.db2.gz AXLWDGJXWRQVQD-UHFFFAOYSA-N 0 3 337.427 3.131 40 0 EGABHN O[C@H]1C[C@H](C2CCCCC2)N(Cc2nnc(-c3ccc(F)cc3)o2)C1 ZINC000072634625 216285522 /nfs/dbraw/zinc/28/55/22/216285522.db2.gz QVUWMUQYNWYQRJ-DLBZAZTESA-N 0 3 345.418 3.391 40 0 EGABHN COc1cc(CNCCN(C)C)ccc1OCc1ccccc1C ZINC000023254505 212364481 /nfs/dbraw/zinc/36/44/81/212364481.db2.gz ACLHPFPJNGRKPQ-UHFFFAOYSA-N 0 3 328.456 3.234 40 0 EGABHN c1cc(C[C@H]2CCCN(Cc3cnc(-c4ccccc4)nc3)C2)n[nH]1 ZINC000257232647 244216518 /nfs/dbraw/zinc/21/65/18/244216518.db2.gz GLVABZNWDDCADE-MRXNPFEDSA-N 0 3 333.439 3.321 40 0 EGABHN Cc1cc(C)n2ncc(CN3CCC[C@H](Cc4cccnc4)C3)c2n1 ZINC000257255962 244281118 /nfs/dbraw/zinc/28/11/18/244281118.db2.gz KJOUUEATXLRZDO-GOSISDBHSA-N 0 3 335.455 3.196 40 0 EGABHN Cn1cncc1-c1cncc(CC2CCN(Cc3ccccc3)CC2)n1 ZINC000257265932 244360204 /nfs/dbraw/zinc/36/02/04/244360204.db2.gz MAXQESQZBVULRF-UHFFFAOYSA-N 0 3 347.466 3.332 40 0 EGABHN Cn1ccc2cc(C[C@H]3COCCN(Cc4ccncc4)C3)ccc21 ZINC000257277647 244397653 /nfs/dbraw/zinc/39/76/53/244397653.db2.gz NYVNCSRNFXILTB-LJQANCHMSA-N 0 3 335.451 3.264 40 0 EGABHN C[C@@H](CNC(=O)N(C)[C@@H](C)c1cccnc1)N(C)Cc1ccccc1 ZINC000078925993 217148951 /nfs/dbraw/zinc/14/89/51/217148951.db2.gz IYFXKZKTQABYJS-IRXDYDNUSA-N 0 3 340.471 3.305 40 0 EGABHN C[C@H](NC1(CNC(=O)OC(C)(C)C)CCOCC1)c1ccccc1 ZINC000079098017 217192463 /nfs/dbraw/zinc/19/24/63/217192463.db2.gz CKVCBBVSKDNMJL-HNNXBMFYSA-N 0 3 334.460 3.411 40 0 EGABHN Cc1cnc(-c2nc(C3CCN(Cc4ccccc4)CC3)no2)cn1 ZINC000012337354 211350357 /nfs/dbraw/zinc/35/03/57/211350357.db2.gz WOTADQGGVVXYOF-UHFFFAOYSA-N 0 3 335.411 3.215 40 0 EGABHN CN(C)CCNc1ncc(-c2ncc[nH]2)c(-c2ccc(Cl)cc2)n1 ZINC000012221342 211324018 /nfs/dbraw/zinc/32/40/18/211324018.db2.gz PPMZGULQQUAIFO-UHFFFAOYSA-N 0 3 342.834 3.161 40 0 EGABHN C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(F)cc(N3CCCC3)c2)CCN1C ZINC000096434434 218811899 /nfs/dbraw/zinc/81/18/99/218811899.db2.gz NAAWBLWANQAWPT-PBHICJAKSA-N 0 3 348.466 3.372 40 0 EGABHN CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H](O)c1ccsc1 ZINC000096437273 218817210 /nfs/dbraw/zinc/81/72/10/218817210.db2.gz URMHEWFCJDLUCO-OAHLLOKOSA-N 0 3 344.436 3.019 40 0 EGABHN CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NCc1ccc(Cl)cn1 ZINC000097379794 219020283 /nfs/dbraw/zinc/02/02/83/219020283.db2.gz JOUJQYFLIIHUSD-KGLIPLIRSA-N 0 3 325.840 3.270 40 0 EGABHN COc1ccc([C@@H](O)CN2CCC(O)(c3ccccc3C)CC2)cc1 ZINC000012292491 274116921 /nfs/dbraw/zinc/11/69/21/274116921.db2.gz WLNGNYGBIXXOKL-FQEVSTJZSA-N 0 3 341.451 3.021 40 0 EGABHN Cc1ccc(O[C@@H](C)C(=O)N[C@@H](CN(C)C)c2ccccc2)cc1 ZINC000048325626 280924732 /nfs/dbraw/zinc/92/47/32/280924732.db2.gz SQEVYQSXVMMQGW-LPHOPBHVSA-N 0 3 326.440 3.181 40 0 EGABHN COc1cc(CNC(C)(C)CO)ccc1OCc1ccc(C)cc1 ZINC000008550122 453212749 /nfs/dbraw/zinc/21/27/49/453212749.db2.gz CKISWQBDOZYHGE-UHFFFAOYSA-N 0 3 329.440 3.443 40 0 EGABHN Oc1cccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)c1 ZINC000012668418 453390695 /nfs/dbraw/zinc/39/06/95/453390695.db2.gz JSBMBCIFLUOEDE-UHFFFAOYSA-N 0 3 336.395 3.217 40 0 EGABHN Oc1ccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)cc1 ZINC000012668384 453391078 /nfs/dbraw/zinc/39/10/78/453391078.db2.gz FOBKJCJXXVBUHS-UHFFFAOYSA-N 0 3 336.395 3.217 40 0 EGABHN COc1ccccc1CN1C[C@@H]2CC[C@@](O)(c3ncccc3C)[C@@H]2C1 ZINC000013227713 453454298 /nfs/dbraw/zinc/45/42/98/453454298.db2.gz SZNPSRLDSLSDDH-CDXJDZJCSA-N 0 3 338.451 3.128 40 0 EGABHN O=C(c1cc(C2CC2)on1)N1CCC(c2cc3c[nH]ccc-3n2)CC1 ZINC000019404608 453656210 /nfs/dbraw/zinc/65/62/10/453656210.db2.gz NYESKXNPEUDUFS-UHFFFAOYSA-N 0 3 336.395 3.448 40 0 EGABHN O=C(c1cc(C2CC2)on1)N1CCC(c2cc3cnccc3[nH]2)CC1 ZINC000019404608 453656215 /nfs/dbraw/zinc/65/62/15/453656215.db2.gz NYESKXNPEUDUFS-UHFFFAOYSA-N 0 3 336.395 3.448 40 0 EGABHN O[C@H](COCc1ccco1)CN1CCc2sccc2[C@@H]1C1CC1 ZINC000025697656 453782916 /nfs/dbraw/zinc/78/29/16/453782916.db2.gz OPXFGKBQAYKWLB-KSSFIOAISA-N 0 3 333.453 3.228 40 0 EGABHN O=C(NCc1ccco1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220979 453822659 /nfs/dbraw/zinc/82/26/59/453822659.db2.gz NLZRUFGOXITTKK-OAHLLOKOSA-N 0 3 332.831 3.461 40 0 EGABHN O=C(NCCCN1CCc2ccccc2C1)Nc1ccccc1F ZINC000031662742 453851462 /nfs/dbraw/zinc/85/14/62/453851462.db2.gz RJXHODMJDQCLCF-UHFFFAOYSA-N 0 3 327.403 3.396 40 0 EGABHN CCCCCNCc1ccc(-c2ccc(S(=O)(=O)NC)cc2)o1 ZINC000032860471 453894188 /nfs/dbraw/zinc/89/41/88/453894188.db2.gz LNINZHRTSSCYSO-UHFFFAOYSA-N 0 3 336.457 3.135 40 0 EGABHN Cc1cnc(NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)s1 ZINC000054379890 453926867 /nfs/dbraw/zinc/92/68/67/453926867.db2.gz PPBSDOZHFPFDAQ-ZFWWWQNUSA-N 0 3 330.457 3.409 40 0 EGABHN O=C(c1cccnc1)N1CCC2(C1)CCN(Cc1ccsc1)CC2 ZINC000096046563 454269502 /nfs/dbraw/zinc/26/95/02/454269502.db2.gz OVFPFEXYUYFYIX-UHFFFAOYSA-N 0 3 341.480 3.271 40 0 EGABHN O=C(c1ccsc1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096053887 454273816 /nfs/dbraw/zinc/27/38/16/454273816.db2.gz RWWHNULFKJKZRA-HZPDHXFCSA-N 0 3 330.428 3.091 40 0 EGABHN O=C(c1ccsc1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096053885 454274862 /nfs/dbraw/zinc/27/48/62/454274862.db2.gz RWWHNULFKJKZRA-IYBDPMFKSA-N 0 3 330.428 3.091 40 0 EGABHN Cc1ccc(CN2C[C@@H](OCc3ccncc3)[C@@H]3OCCC[C@@H]32)s1 ZINC000096058129 454277002 /nfs/dbraw/zinc/27/70/02/454277002.db2.gz VYXNGFDCBKOJPH-IPMKNSEASA-N 0 3 344.480 3.400 40 0 EGABHN c1cc(CN2CC[C@@H]3OCCC[C@@]3(COCc3ccncc3)C2)co1 ZINC000096065136 454277771 /nfs/dbraw/zinc/27/77/71/454277771.db2.gz LWRLQBVZLISGFY-PMACEKPBSA-N 0 3 342.439 3.263 40 0 EGABHN c1coc(CN2CCOC[C@]3(CCN(Cc4cccs4)C3)C2)c1 ZINC000096062388 454277807 /nfs/dbraw/zinc/27/78/07/454277807.db2.gz JSGOUAJZUALSDE-SFHVURJKSA-N 0 3 332.469 3.066 40 0 EGABHN c1cc(CN2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)co1 ZINC000096065134 454278689 /nfs/dbraw/zinc/27/86/89/454278689.db2.gz LWRLQBVZLISGFY-UXHICEINSA-N 0 3 342.439 3.263 40 0 EGABHN Fc1cnccc1CN1CCC2(C[C@H](Oc3ccccc3)CO2)CC1 ZINC000096073193 454280346 /nfs/dbraw/zinc/28/03/46/454280346.db2.gz XLCOYMVOQBCXLC-SFHVURJKSA-N 0 3 342.414 3.423 40 0 EGABHN c1csc(CN2CC[C@]3(C[C@H](OCc4cccnc4)CO3)C2)c1 ZINC000096107607 454285023 /nfs/dbraw/zinc/28/50/23/454285023.db2.gz KPSMSQWVYZXXFR-WMZOPIPTSA-N 0 3 330.453 3.093 40 0 EGABHN Cc1ccc(CN2CC[C@]3(C[C@@H](OCC4CCOCC4)CO3)C2)cc1 ZINC000096107737 454285603 /nfs/dbraw/zinc/28/56/03/454285603.db2.gz YSIWYTKHRLMRQG-RTWAWAEBSA-N 0 3 345.483 3.172 40 0 EGABHN COc1ccc(CN2CCCC[C@H]3CN(C(=O)C4CCC4)C[C@H]32)cc1 ZINC000072330630 454294789 /nfs/dbraw/zinc/29/47/89/454294789.db2.gz WDLBMRQPNRHAQP-AZUAARDMSA-N 0 3 342.483 3.308 40 0 EGABHN Cc1ccc(CN2CC[C@@H]3O[C@@H](COc4cccnc4)CC[C@@H]32)o1 ZINC000096186740 454299147 /nfs/dbraw/zinc/29/91/47/454299147.db2.gz SKUBXAAHNKPYCJ-QYZOEREBSA-N 0 3 328.412 3.184 40 0 EGABHN O=C(c1nc2c(s1)CCN(Cc1cccs1)CC2)N1CCCC1 ZINC000096187581 454300102 /nfs/dbraw/zinc/30/01/02/454300102.db2.gz OWNNJXLAXGFYGU-UHFFFAOYSA-N 0 3 347.509 3.041 40 0 EGABHN Cc1cnc(N2CC[C@@]3(C2)CCCCN3Cc2cccc(C)n2)nc1 ZINC000096203151 454303931 /nfs/dbraw/zinc/30/39/31/454303931.db2.gz XSGSLHAJHRRQHZ-HXUWFJFHSA-N 0 3 337.471 3.123 40 0 EGABHN Cn1ccc(CN2CCCC23CCN(Cc2ccccc2F)CC3)n1 ZINC000096227943 454308544 /nfs/dbraw/zinc/30/85/44/454308544.db2.gz LPCOROOEINNEMD-UHFFFAOYSA-N 0 3 342.462 3.190 40 0 EGABHN O=C1CCC2(CCN(Cc3ccsc3)CC2)N1Cc1ccncc1 ZINC000096228211 454308697 /nfs/dbraw/zinc/30/86/97/454308697.db2.gz GVQQDZGJNJIPPZ-UHFFFAOYSA-N 0 3 341.480 3.300 40 0 EGABHN O=C(c1cscn1)N1C[C@@H]2CN(Cc3cccc(Cl)c3)C[C@H]2C1 ZINC000096245484 454311371 /nfs/dbraw/zinc/31/13/71/454311371.db2.gz PEXMFTUKJOGULG-KBPBESRZSA-N 0 3 347.871 3.001 40 0 EGABHN COc1ccc2c(c1)C1(CCN(Cc3ccccn3)CC1)N(C)CC2 ZINC000096242672 454312037 /nfs/dbraw/zinc/31/20/37/454312037.db2.gz SJAHYXYWZGHUBS-UHFFFAOYSA-N 0 3 337.467 3.069 40 0 EGABHN CN(C)CCOc1ccc(NC(=O)CC[C@H]2CCCO2)cc1Cl ZINC000096408505 454326120 /nfs/dbraw/zinc/32/61/20/454326120.db2.gz BBHYBRQAWIWUKN-CQSZACIVSA-N 0 3 340.851 3.178 40 0 EGABHN C[C@H]1C[C@H](C)CN(CCNC(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC000096414280 454331457 /nfs/dbraw/zinc/33/14/57/454331457.db2.gz DXCYJKXBVNVWOV-KBPBESRZSA-N 0 3 347.484 3.040 40 0 EGABHN CN(C)C[C@H]1CSCCCN1C(=O)CCSc1ccccc1 ZINC000090700127 454336636 /nfs/dbraw/zinc/33/66/36/454336636.db2.gz VSTOTXAZZKIVCO-HNNXBMFYSA-N 0 3 338.542 3.065 40 0 EGABHN CCCC[C@@H](NCC1(c2ccc(Cl)cc2)CCOCC1)C(N)=O ZINC000079029835 454358051 /nfs/dbraw/zinc/35/80/51/454358051.db2.gz CNPDOZSNBHBNLO-MRXNPFEDSA-N 0 3 338.879 3.022 40 0 EGABHN CCc1c(NC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cnn1CC(C)C ZINC000096499595 454371177 /nfs/dbraw/zinc/37/11/77/454371177.db2.gz PXAHANOUXZAAQS-YJBOKZPZSA-N 0 3 347.507 3.050 40 0 EGABHN Cc1cc(CC(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)no1 ZINC000062363210 454375113 /nfs/dbraw/zinc/37/51/13/454375113.db2.gz MCNALPVLMVBSKO-LJQANCHMSA-N 0 3 341.455 3.115 40 0 EGABHN Cc1ccc(CC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cn1 ZINC000064521279 454489476 /nfs/dbraw/zinc/48/94/76/454489476.db2.gz PKUJKIBEIOCUHU-QGZVFWFLSA-N 0 3 343.496 3.022 40 0 EGABHN C[C@H](CCN[C@@H]1CCc2c1cccc2Br)[S@@](C)=O ZINC000110705146 454852326 /nfs/dbraw/zinc/85/23/26/454852326.db2.gz LACQNTZIRDSNLO-RUHJCQMXSA-N 0 3 330.291 3.183 40 0 EGABHN CN1CCC[C@@H](C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000126892876 454925120 /nfs/dbraw/zinc/92/51/20/454925120.db2.gz DZSDMGVDGMQLRC-SECBINFHSA-N 0 3 331.641 3.383 40 0 EGABHN Cc1cc(NC(=O)[C@H](C)N[C@H](C[C@@H]2CCOC2)c2ccccc2)on1 ZINC000192760003 455687689 /nfs/dbraw/zinc/68/76/89/455687689.db2.gz DKAOFWMTQNYOIH-YQQAZPJKSA-N 0 3 343.427 3.068 40 0 EGABHN CSc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1 ZINC000252487572 455810276 /nfs/dbraw/zinc/81/02/76/455810276.db2.gz ZAJALAGMSRMVLZ-JKIFEVAISA-N 0 3 335.517 3.451 40 0 EGABHN CNc1cc(C)nc([C@H]2CCN(C(=O)c3c(C)onc3C(C)C)C2)c1 ZINC000257282168 455881181 /nfs/dbraw/zinc/88/11/81/455881181.db2.gz OSRBEUMUBXYMHN-AWEZNQCLSA-N 0 3 342.443 3.481 40 0 EGABHN Cc1noc(C)c1-c1nccc([C@H]2CCCN2C2CCOCC2)n1 ZINC000257279041 455881873 /nfs/dbraw/zinc/88/18/73/455881873.db2.gz OETICCMDQMMBQI-MRXNPFEDSA-N 0 3 328.416 3.064 40 0 EGABHN Cc1ncsc1CN1CCC2(CC(Nc3cc(C)ncn3)C2)C1 ZINC000257340875 455895788 /nfs/dbraw/zinc/89/57/88/455895788.db2.gz ZHWZTMOQMRLFHH-UHFFFAOYSA-N 0 3 329.473 3.017 40 0 EGABHN Cc1c2cc(F)ccc2oc1CNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000272711964 456048960 /nfs/dbraw/zinc/04/89/60/456048960.db2.gz HSWFKNWYSZWWJS-CYBMUJFWSA-N 0 3 345.418 3.330 40 0 EGABHN CCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225611214 456099133 /nfs/dbraw/zinc/09/91/33/456099133.db2.gz XPYCWHQHEQHOKU-IBGZPJMESA-N 0 3 334.460 3.305 40 0 EGABHN O=C([C@@H]1CCCN(Cc2ccccc2)C1)N1CCOc2ccccc21 ZINC000225901500 456108045 /nfs/dbraw/zinc/10/80/45/456108045.db2.gz HXVKLQZOXXBQPL-GOSISDBHSA-N 0 3 336.435 3.324 40 0 EGABHN O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@]12CCN(Cc1ccco1)C2 ZINC000503832919 458726751 /nfs/dbraw/zinc/72/67/51/458726751.db2.gz YBJIHEIWDGJRLF-DOTOQJQBSA-N 0 3 338.398 3.186 40 0 EGABHN Cc1ncc(CN2CCC[C@@]3(CN(CC4CCCCC4)C3=O)C2)s1 ZINC000585099416 459823500 /nfs/dbraw/zinc/82/35/00/459823500.db2.gz IVJHSHVLGVDIRA-IBGZPJMESA-N 0 3 347.528 3.456 40 0 EGABHN CN(Cc1cccnc1)C[C@H]1CCC2(CN(CC3CCCC3)C2)OC1 ZINC000585104942 459825202 /nfs/dbraw/zinc/82/52/02/459825202.db2.gz MQGNAMOURQFESF-HXUWFJFHSA-N 0 3 343.515 3.185 40 0 EGABHN CN(C)CCN(Cc1ccco1)C(=O)c1cnc(-c2ccccc2)o1 ZINC000585140676 459829446 /nfs/dbraw/zinc/82/94/46/459829446.db2.gz ISBCPVYKKYIOPK-UHFFFAOYSA-N 0 3 339.395 3.139 40 0 EGABHN CC(=O)N1CCC[C@H](NCc2ccccn2)[C@@H]1Cc1cccc(C)c1 ZINC000585284386 459832166 /nfs/dbraw/zinc/83/21/66/459832166.db2.gz FHLFLEOUOZPZMI-SFTDATJTSA-N 0 3 337.467 3.102 40 0 EGABHN O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1NCc1ccncc1 ZINC000585290091 459833668 /nfs/dbraw/zinc/83/36/68/459833668.db2.gz ZXBIEZMICSFKSY-RCCFBDPRSA-N 0 3 332.831 3.186 40 0 EGABHN CS[C@H](C)CNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000153135120 534051960 /nfs/dbraw/zinc/05/19/60/534051960.db2.gz YSIVEKWAOAXFDR-OAHLLOKOSA-N 0 3 335.517 3.010 40 0 EGABHN CC(C)NC(=O)[C@H]1CCC[C@H](NCc2ccn(-c3ccccc3)n2)C1 ZINC000091060650 519716207 /nfs/dbraw/zinc/71/62/07/519716207.db2.gz XKFHEMFATZECPT-IRXDYDNUSA-N 0 3 340.471 3.045 40 0 EGABHN O=c1c2ccccc2nc(CCN2CCCCC2)n1-c1ccccc1 ZINC000107864592 1293072491 /nfs/dbraw/zinc/07/24/91/1293072491.db2.gz YTXGCBZSAXMOAV-UHFFFAOYSA-N 0 3 333.435 3.414 40 0 EGABHN C[C@H]1CCCCN1CCNC(=O)c1cc(F)ccc1Br ZINC000046860244 213812485 /nfs/dbraw/zinc/81/24/85/213812485.db2.gz JUFSUFKRSMJUJJ-NSHDSACASA-N 0 3 343.240 3.192 40 0 EGABHN CC1(C)[C@H](Cc2cc(CCO)on2)C[C@@H]1NCc1ccccc1F ZINC000067889752 215241906 /nfs/dbraw/zinc/24/19/06/215241906.db2.gz SRKKONVUDXNTRA-KDOFPFPSSA-N 0 3 332.419 3.096 40 0 biogenic,in-vitro EGABHN O=C(NCc1cccnc1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038849962 213228451 /nfs/dbraw/zinc/22/84/51/213228451.db2.gz ZZCFEGLTZUPWMI-KRWDZBQOSA-N 0 3 343.858 3.263 40 0 EGABHN CN(C)CC[C@](O)(c1ccc(Br)cc1)c1cccnc1 ZINC000035636651 213044366 /nfs/dbraw/zinc/04/43/66/213044366.db2.gz YAYXSVOPNBARLP-INIZCTEOSA-N 0 3 335.245 3.032 40 0 in-vitro EGABHN C[C@H](CCO)N1CCC(c2csc(Nc3ccccn3)n2)CC1 ZINC000072363702 216170095 /nfs/dbraw/zinc/17/00/95/216170095.db2.gz FVZIQJLOXATNPK-CYBMUJFWSA-N 0 3 332.473 3.232 40 0 EGABHN c1cncc(Oc2cncc([C@H]3CCCN(C4CCOCC4)C3)n2)c1 ZINC000072384250 216185015 /nfs/dbraw/zinc/18/50/15/216185015.db2.gz SCDQHDODWAWDEJ-HNNXBMFYSA-N 0 3 340.427 3.022 40 0 EGABHN CC(C)(C)[C@@H]1CCCC[C@H]1NCc1csc(CS(C)(=O)=O)n1 ZINC000072605837 216280998 /nfs/dbraw/zinc/28/09/98/216280998.db2.gz DOGAMQSUGDQFJK-ZIAGYGMSSA-N 0 3 344.546 3.382 40 0 EGABHN CC(C)(C)[C@H]1CCCC[C@@H]1NCc1csc(CS(C)(=O)=O)n1 ZINC000072605832 216281053 /nfs/dbraw/zinc/28/10/53/216281053.db2.gz DOGAMQSUGDQFJK-KBPBESRZSA-N 0 3 344.546 3.382 40 0 EGABHN CC(=O)c1ccc(C(=O)NCCCN(C)Cc2ccccc2)s1 ZINC000021939090 212264696 /nfs/dbraw/zinc/26/46/96/212264696.db2.gz KCQPOSDHJRTVHZ-UHFFFAOYSA-N 0 3 330.453 3.203 40 0 EGABHN Cc1cc(-c2nccn2C)nc([C@@H]2CCN(Cc3ccsc3)C2)n1 ZINC000257271801 244380865 /nfs/dbraw/zinc/38/08/65/244380865.db2.gz MZVVBMGWFCRLTK-OAHLLOKOSA-N 0 3 339.468 3.237 40 0 EGABHN COc1ccc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1OC ZINC000019880266 212078399 /nfs/dbraw/zinc/07/83/99/212078399.db2.gz COAFVAZGXRKZFS-NZSAHSFTSA-N 0 3 342.483 3.034 40 0 EGABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccc(-c2ccccc2Cl)o1 ZINC000019575930 212045731 /nfs/dbraw/zinc/04/57/31/212045731.db2.gz XNIGATOWDBZRCB-SOUVJXGZSA-N 0 3 346.858 3.239 40 0 EGABHN COc1ccc(-c2cc([C@H]3CCN(Cc4cccnc4)C3)[nH]n2)cc1 ZINC000019557943 212042322 /nfs/dbraw/zinc/04/23/22/212042322.db2.gz NQLCZQIEKQHEHX-KRWDZBQOSA-N 0 3 334.423 3.470 40 0 EGABHN O=C(c1cc([C@@H]2CCCN(Cc3ccccc3)C2)no1)N1CCCC1 ZINC000019371966 212022583 /nfs/dbraw/zinc/02/25/83/212022583.db2.gz RKDCRMBGEAYESI-QGZVFWFLSA-N 0 3 339.439 3.290 40 0 EGABHN CC(C)C[C@@H]1N[C@H](C(=O)NC2CCC2)Cc2c[nH]c3cccc1c23 ZINC000049171381 213992936 /nfs/dbraw/zinc/99/29/36/213992936.db2.gz UBQLBGCQDVZNEM-ROUUACIJSA-N 0 3 325.456 3.438 40 0 biogenic,in-vitro EGABHN COc1ccccc1CN1C[C@@H]2CC[C@@](O)(c3ccc(C)cn3)[C@@H]2C1 ZINC000019216022 212005564 /nfs/dbraw/zinc/00/55/64/212005564.db2.gz KBTFSGGCSJQACR-CDXJDZJCSA-N 0 3 338.451 3.128 40 0 EGABHN C[C@H](c1cccnc1)N(C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000078926003 217148997 /nfs/dbraw/zinc/14/89/97/217148997.db2.gz IYFXKZKTQABYJS-DLBZAZTESA-N 0 3 340.471 3.305 40 0 EGABHN Cc1csc([C@H](C)NC(=O)NC[C@H](C)N(C)Cc2ccccc2)n1 ZINC000078925553 217149274 /nfs/dbraw/zinc/14/92/74/217149274.db2.gz GUGISWAMHIICCC-GJZGRUSLSA-N 0 3 346.500 3.332 40 0 EGABHN CC[C@@H]1CCCCN1CCNC(=O)Nc1cccc(NC(C)=O)c1 ZINC000079101274 217192659 /nfs/dbraw/zinc/19/26/59/217192659.db2.gz URRHFIUTYQKZMV-QGZVFWFLSA-N 0 3 332.448 3.031 40 0 EGABHN Cc1cccc(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000079289688 217205136 /nfs/dbraw/zinc/20/51/36/217205136.db2.gz WBJLMMKVVYHXDN-QGZVFWFLSA-N 0 3 341.430 3.058 40 0 EGABHN CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1COc2ccccc21 ZINC000079309496 217206173 /nfs/dbraw/zinc/20/61/73/217206173.db2.gz YXJLKIUQFQFLGW-MRXNPFEDSA-N 0 3 336.391 3.358 40 0 EGABHN O[C@H](CN1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccccc1 ZINC000012293300 211335145 /nfs/dbraw/zinc/33/51/45/211335145.db2.gz LCAKEVQNPLJYRL-RBUKOAKNSA-N 0 3 339.435 3.071 40 0 EGABHN C=Cn1ncc(CN2CCC[C@](O)(c3ccc(F)cc3)CC2)c1C ZINC000012188839 211315776 /nfs/dbraw/zinc/31/57/76/211315776.db2.gz UOCOACRGKUMYSB-LJQANCHMSA-N 0 3 329.419 3.305 40 0 EGABHN O=S(=O)(Cc1ccc(Cl)cc1)NCCCN1CCCCCC1 ZINC000010111332 211148530 /nfs/dbraw/zinc/14/85/30/211148530.db2.gz BXRFTBMCCBNGAG-UHFFFAOYSA-N 0 3 344.908 3.026 40 0 EGABHN CNC(=O)C[C@@H]1CC2(CCN(Cc3ccoc3)CC2)c2ccccc21 ZINC000096052565 277232469 /nfs/dbraw/zinc/23/24/69/277232469.db2.gz HRZSJHXGBBPRFZ-QGZVFWFLSA-N 0 3 338.451 3.437 40 0 EGABHN CC(C)[C@H](c1nnnn1C1CCCC1)N1CCN(C2CCCC2)CC1 ZINC000019445963 280358726 /nfs/dbraw/zinc/35/87/26/280358726.db2.gz HTTKVNSQFOKVQJ-GOSISDBHSA-N 0 3 346.523 3.046 40 0 EGABHN Cc1ccc2c(c1)CN(Cc1ccncc1)CC1(CCN(C)CC1)O2 ZINC000072394184 281071563 /nfs/dbraw/zinc/07/15/63/281071563.db2.gz GXBWSFATXQDAHE-UHFFFAOYSA-N 0 3 337.467 3.249 40 0 EGABHN CSCc1ccccc1NC(=O)N1CCC(N2CC=CC2)CC1 ZINC000102317140 323215923 /nfs/dbraw/zinc/21/59/23/323215923.db2.gz PVHOXVJJWVHCJQ-UHFFFAOYSA-N 0 3 331.485 3.418 40 0 EGABHN O=C(OCCN1CCCCC1)[C@@](O)(c1ccccc1)C1CCCCC1 ZINC000001711007 452673925 /nfs/dbraw/zinc/67/39/25/452673925.db2.gz ULSFDMDCOKMGSL-OAQYLSRUSA-N 0 3 345.483 3.484 40 0 EGABHN CC[C@H]1CCCCN1CC(=O)N1CCC(O)(c2cccc(C)c2)CC1 ZINC000013996262 453496233 /nfs/dbraw/zinc/49/62/33/453496233.db2.gz ZDDIRYNJMXEDFD-IBGZPJMESA-N 0 3 344.499 3.070 40 0 EGABHN O[C@@H](CO[C@H]1CCCc2ccccc21)CN1CCc2ccccc2C1 ZINC000014138617 453510676 /nfs/dbraw/zinc/51/06/76/453510676.db2.gz TVLVXPUNKAWTML-IRLDBZIGSA-N 0 3 337.463 3.500 40 0 EGABHN CCOc1ccc([C@@H]2SC(=N)N[C@H]2[C@H](O)c2ccccc2)cc1 ZINC000033746450 453917087 /nfs/dbraw/zinc/91/70/87/453917087.db2.gz VVRSZSPECIFBQS-BBWFWOEESA-N 0 3 328.437 3.290 40 0 EGABHN CN(C)Cc1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000044276951 454094240 /nfs/dbraw/zinc/09/42/40/454094240.db2.gz ZZXVHMOXXIYSCO-UHFFFAOYSA-N 0 3 338.455 3.102 40 0 EGABHN c1coc(CN2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)c1 ZINC000096040219 454266424 /nfs/dbraw/zinc/26/64/24/454266424.db2.gz JJXWLGXJZZLBOO-WOJBJXKFSA-N 0 3 342.439 3.263 40 0 EGABHN Cc1ncsc1CN1CC[C@@H]2OCCC[C@]2(COCC2CC2)C1 ZINC000096039919 454266662 /nfs/dbraw/zinc/26/66/62/454266662.db2.gz SEWYPOTXDYBQCO-ZWKOTPCHSA-N 0 3 336.501 3.249 40 0 EGABHN COc1ccc(CN2CCC3(CCN(CC(C)C)C3=O)CC2)cc1 ZINC000096046770 454269309 /nfs/dbraw/zinc/26/93/09/454269309.db2.gz ZYMLNYPCQHELGQ-UHFFFAOYSA-N 0 3 330.472 3.166 40 0 EGABHN Fc1ccc(CN2CC[C@@]3(C[C@H](Nc4ncccc4F)CO3)C2)cc1 ZINC000096047643 454269323 /nfs/dbraw/zinc/26/93/23/454269323.db2.gz VFYGVLVBNRIIJU-QFBILLFUSA-N 0 3 345.393 3.205 40 0 EGABHN c1csc(CN2CCC3(CC2)CCN(Cc2ccccn2)CC3)n1 ZINC000096047198 454269539 /nfs/dbraw/zinc/26/95/39/454269539.db2.gz VSAPSQQCWBSETJ-UHFFFAOYSA-N 0 3 342.512 3.416 40 0 EGABHN Cc1ccc(CN2CC[C@@]3(C2)CCCN(c2ncc(F)cn2)C3)s1 ZINC000096047179 454270001 /nfs/dbraw/zinc/27/00/01/454270001.db2.gz UTUSWPOXYLWIRB-GOSISDBHSA-N 0 3 346.475 3.478 40 0 EGABHN Fc1cnc(N2CCC[C@@]3(CCN(Cc4cccs4)C3)C2)nc1 ZINC000096047174 454270261 /nfs/dbraw/zinc/27/02/61/454270261.db2.gz XIHAUTCLUGHFLR-KRWDZBQOSA-N 0 3 332.448 3.170 40 0 EGABHN c1csc(CN2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)c1 ZINC000096047873 454271190 /nfs/dbraw/zinc/27/11/90/454271190.db2.gz ROAXHENFOWZOQU-KRWDZBQOSA-N 0 3 344.480 3.483 40 0 EGABHN Cc1ccc(CN2CCC3(CC[C@@H]3NC(=O)c3ccn(C)c3)CC2)o1 ZINC000096051694 454272629 /nfs/dbraw/zinc/27/26/29/454272629.db2.gz IAFAKOHBYKWHJL-SFHVURJKSA-N 0 3 341.455 3.101 40 0 EGABHN Cc1ccc(CN2CC[C@H]3CO[C@H](CN(C)Cc4ccco4)[C@H]3C2)o1 ZINC000096056296 454275020 /nfs/dbraw/zinc/27/50/20/454275020.db2.gz SUOVYLXQAPOCBZ-FFZOFVMBSA-N 0 3 344.455 3.150 40 0 EGABHN C[C@H]1CCCCN1CCNC(=O)c1ccccc1Br ZINC000046860129 454292971 /nfs/dbraw/zinc/29/29/71/454292971.db2.gz BWJBHJFQIAKTLM-LBPRGKRZSA-N 0 3 325.250 3.053 40 0 EGABHN c1coc(CN2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)c1 ZINC000096209749 454305970 /nfs/dbraw/zinc/30/59/70/454305970.db2.gz YNLJJVLBSOLIHN-QGZVFWFLSA-N 0 3 342.439 3.372 40 0 EGABHN O=C(CC1CC1)NC[C@@H]1CCC[C@]2(CCN(Cc3ccsc3)C2)O1 ZINC000096219202 454307223 /nfs/dbraw/zinc/30/72/23/454307223.db2.gz QZSKXHRHWCJMPV-PKOBYXMFSA-N 0 3 348.512 3.178 40 0 EGABHN O=C(c1ncoc1[C@H]1CCCO1)N1CCC[C@H](N2CCCCCC2)C1 ZINC000096406354 454324412 /nfs/dbraw/zinc/32/44/12/454324412.db2.gz YHCZQZCAOAWVOR-JKSUJKDBSA-N 0 3 347.459 3.007 40 0 EGABHN CN1CCN(Cc2cccc(NCc3csc(C4CC4)n3)c2)CC1 ZINC000096446414 454353933 /nfs/dbraw/zinc/35/39/33/454353933.db2.gz MPAAHRIARQHAGA-UHFFFAOYSA-N 0 3 342.512 3.380 40 0 EGABHN CC[C@@H](NCc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1 ZINC000079030934 454358061 /nfs/dbraw/zinc/35/80/61/454358061.db2.gz DHVWRVOFSIJDID-GOSISDBHSA-N 0 3 332.469 3.323 40 0 EGABHN Cc1ccc(S(=O)(=O)N2CCC(N[C@H](C)c3ccco3)CC2)cc1 ZINC000096476419 454363069 /nfs/dbraw/zinc/36/30/69/454363069.db2.gz GSAQUZANKQWIDK-OAHLLOKOSA-N 0 3 348.468 3.092 40 0 EGABHN CC(=O)Nc1ccccc1CN1CCC(c2nnc3ccccn32)CC1 ZINC000120928382 454365123 /nfs/dbraw/zinc/36/51/23/454365123.db2.gz VSFMYGPGXVTXDS-UHFFFAOYSA-N 0 3 349.438 3.067 40 0 EGABHN O[C@@]1(c2nc(-c3cccc(CN4CCCCC4)c3)no2)CCSC1 ZINC000097103440 454407177 /nfs/dbraw/zinc/40/71/77/454407177.db2.gz NGXNWDHHRLRUCC-SFHVURJKSA-N 0 3 345.468 3.047 40 0 EGABHN CC(C)C[C@@H]1N[C@H](C(=O)NCC2CC2)Cc2c[nH]c3cccc1c23 ZINC000049171370 454537103 /nfs/dbraw/zinc/53/71/03/454537103.db2.gz LTEFTYUNYMAJOR-ROUUACIJSA-N 0 3 325.456 3.296 40 0 biogenic,in-vitro EGABHN Cc1ccc(-c2nnc([C@H]3CCN(Cc4ccc(CO)o4)C3)o2)cc1 ZINC000049169920 454537684 /nfs/dbraw/zinc/53/76/84/454537684.db2.gz QBCHJHJDJLLNMU-HNNXBMFYSA-N 0 3 339.395 3.120 40 0 biogenic,in-vitro EGABHN OCc1ccc(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)o1 ZINC000093840961 454739422 /nfs/dbraw/zinc/73/94/22/454739422.db2.gz QUZJWTGOXNJOEX-ZDUSSCGKSA-N 0 3 332.469 3.487 40 0 EGABHN O=S1(=O)CCC[C@H](NCCSCc2cccc3ccccc32)C1 ZINC000182565052 455541868 /nfs/dbraw/zinc/54/18/68/455541868.db2.gz DTFUCJMVZZMCOV-KRWDZBQOSA-N 0 3 349.521 3.240 40 0 EGABHN c1csc(CN2CC[C@H]3OCCN(Cc4cccnc4)[C@@H]3CC2)c1 ZINC000247820995 455647463 /nfs/dbraw/zinc/64/74/63/455647463.db2.gz GKRSPYBYFOQTEJ-RTBURBONSA-N 0 3 343.496 3.009 40 0 EGABHN CCc1onc(C)c1NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248941401 455739445 /nfs/dbraw/zinc/73/94/45/455739445.db2.gz YUHVTNHFIVRUPX-CJNGLKHVSA-N 0 3 342.443 3.187 40 0 EGABHN COC[C@@H](N[C@@H]1CCCN(c2cccnn2)C1)c1ccc(Cl)cc1 ZINC000194102136 455801749 /nfs/dbraw/zinc/80/17/49/455801749.db2.gz XAOWKMCRJGQYNQ-IAGOWNOFSA-N 0 3 346.862 3.076 40 0 EGABHN C[C@@H](c1ccccn1)N1CCN(CCCCC2CCOCC2)CC1 ZINC000252499787 455814988 /nfs/dbraw/zinc/81/49/88/455814988.db2.gz SEGQCFTUXAQXQO-SFHVURJKSA-N 0 3 331.504 3.357 40 0 EGABHN c1cc(CC[C@@H]2CCCN2Cc2ccnc(N3CCCC3)n2)ccn1 ZINC000257314363 455889368 /nfs/dbraw/zinc/88/93/68/455889368.db2.gz UWQCBSZTRZLFBI-IBGZPJMESA-N 0 3 337.471 3.069 40 0 EGABHN C[C@H](NC(=O)[C@H]1NCCCC1(C)C)c1cccc(OC(F)F)c1 ZINC000261628001 455915985 /nfs/dbraw/zinc/91/59/85/455915985.db2.gz CQYGNGLNARSONR-SMDDNHRTSA-N 0 3 326.387 3.243 40 0 EGABHN Cc1cc(Cl)c([C@H](C)NC2CCN(S(C)(=O)=O)CC2)cc1C ZINC000195557622 455984666 /nfs/dbraw/zinc/98/46/66/455984666.db2.gz RJTAEKRQDACSGU-ZDUSSCGKSA-N 0 3 344.908 3.031 40 0 EGABHN COC1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCCCC1 ZINC000225628224 456098201 /nfs/dbraw/zinc/09/82/01/456098201.db2.gz FETDPCKYPOCNAX-UHFFFAOYSA-N 0 3 346.471 3.449 40 0 EGABHN Cn1cncc1CN[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000188936010 456175918 /nfs/dbraw/zinc/17/59/18/456175918.db2.gz BLZOSYDBRPLNQZ-GFCCVEGCSA-N 0 3 325.243 3.095 40 0 EGABHN CC(C)COC(=O)NC1CC2(C1)CCN(Cc1ccccn1)CC2 ZINC000585102737 459823784 /nfs/dbraw/zinc/82/37/84/459823784.db2.gz CKPBGSFLTZWBRH-UHFFFAOYSA-N 0 3 331.460 3.208 40 0 EGABHN Cc1ccc2cc(CN3CCC[C@H](c4nnc5n4CCC5)C3)ccc2n1 ZINC000187193438 534466889 /nfs/dbraw/zinc/46/68/89/534466889.db2.gz CCSPGGPLBMTPMO-SFHVURJKSA-N 0 3 347.466 3.461 40 0 EGABHN CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225688362 535651476 /nfs/dbraw/zinc/65/14/76/535651476.db2.gz WRBCMMNWHSVATG-LJQANCHMSA-N 0 3 336.476 3.407 40 0 EGABHN COc1ccc2cc(CN3CCC4(CC3)OCCC[C@H]4O)ccc2c1 ZINC000257265754 537032962 /nfs/dbraw/zinc/03/29/62/537032962.db2.gz MACRLJIVYWIFLD-HXUWFJFHSA-N 0 3 341.451 3.354 40 0 EGABHN O[C@@H](COCc1ccccc1Cl)CN1CCc2ccccc2C1 ZINC000068048090 215273037 /nfs/dbraw/zinc/27/30/37/215273037.db2.gz UCRQLAFRTBZXLN-GOSISDBHSA-N 0 3 331.843 3.276 40 0 EGABHN CN1CCN(C[C@H](NCc2ccc(F)c(F)c2)c2ccccc2)CC1 ZINC000069171400 215367719 /nfs/dbraw/zinc/36/77/19/215367719.db2.gz DYYJICILIIQTRR-FQEVSTJZSA-N 0 3 345.437 3.043 40 0 EGABHN Cc1nnc(NC(=O)NCc2ccccc2CN2CCCCC2)s1 ZINC000040103489 213264578 /nfs/dbraw/zinc/26/45/78/213264578.db2.gz DCDSRGKOPOPUNP-UHFFFAOYSA-N 0 3 345.472 3.154 40 0 EGABHN C[C@H](NCc1ccnc(N)c1)c1cccc(OCc2ccccn2)c1 ZINC000193479947 240182011 /nfs/dbraw/zinc/18/20/11/240182011.db2.gz NNGRJRCLODEDJQ-HNNXBMFYSA-N 0 3 334.423 3.489 40 0 EGABHN Cc1ccc(NC(=S)NCCCN2CCc3ccccc3C2)nc1 ZINC000225744287 242014418 /nfs/dbraw/zinc/01/44/18/242014418.db2.gz IIVRRYFPGBSROI-UHFFFAOYSA-N 0 3 340.496 3.125 40 0 EGABHN c1csc(CN2CC[C@H]3OCCN(c4cccnc4)[C@@H]3CC2)c1 ZINC000247856768 243466480 /nfs/dbraw/zinc/46/64/80/243466480.db2.gz XUCSKECROGLCQN-QZTJIDSGSA-N 0 3 329.469 3.013 40 0 EGABHN CNc1cc([C@@H]2CCCN2C(=O)c2ccc(CN(C)C)cc2)ccn1 ZINC000257271719 244378600 /nfs/dbraw/zinc/37/86/00/244378600.db2.gz MZMINOBYWSEOOP-SFHVURJKSA-N 0 3 338.455 3.162 40 0 EGABHN CN(C)c1nc([C@]2(C)CCCN(Cc3cccnc3)C2)cn2cccc12 ZINC000257273719 244386753 /nfs/dbraw/zinc/38/67/53/244386753.db2.gz NHWMPKMUEJOLAB-OAQYLSRUSA-N 0 3 349.482 3.349 40 0 EGABHN c1cc2nccc(C3CCN(CC4=Cc5ccccc5OC4)CC3)n2n1 ZINC000257276194 244394598 /nfs/dbraw/zinc/39/45/98/244394598.db2.gz NSSQUZNASIBEQV-UHFFFAOYSA-N 0 3 346.434 3.385 40 0 EGABHN Nc1cc(CC[C@@H]2CN(Cc3ccnc4ccccc34)CCO2)ccn1 ZINC000257277484 244397045 /nfs/dbraw/zinc/39/70/45/244397045.db2.gz NYDJPWJYFLNRAK-GOSISDBHSA-N 0 3 348.450 3.046 40 0 EGABHN Clc1ccc(C2(CN3CCN(C[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000019332781 212016928 /nfs/dbraw/zinc/01/69/28/212016928.db2.gz QAUAUMFDHINSIC-SFHVURJKSA-N 0 3 334.891 3.168 40 0 EGABHN Cc1cnc2c(C(=O)Nc3ccccc3CN3CCCCC3)cnn2c1 ZINC000019239343 212009020 /nfs/dbraw/zinc/00/90/20/212009020.db2.gz IUERXFSOCVWFNT-UHFFFAOYSA-N 0 3 349.438 3.276 40 0 EGABHN COC[C@H]1CCCN(Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000093338015 218215622 /nfs/dbraw/zinc/21/56/22/218215622.db2.gz NTOUQEWGMRFKNF-INIZCTEOSA-N 0 3 331.435 3.487 40 0 EGABHN C[C@H](NCCCNc1ccc(C(F)(F)F)cn1)c1cnccn1 ZINC000095420141 218361056 /nfs/dbraw/zinc/36/10/56/218361056.db2.gz OJLALHBDHATLEX-NSHDSACASA-N 0 3 325.338 3.043 40 0 EGABHN CCN1CCN(c2cc(CN[C@H](C)c3sccc3C)ccn2)CC1 ZINC000095421340 218362651 /nfs/dbraw/zinc/36/26/51/218362651.db2.gz TWNMCOXJUSFSDE-MRXNPFEDSA-N 0 3 344.528 3.444 40 0 EGABHN COC(=O)N1CCC(N[C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000097373251 219017596 /nfs/dbraw/zinc/01/75/96/219017596.db2.gz CMMKNQYWOMNWQX-GOSISDBHSA-N 0 3 343.402 3.131 40 0 EGABHN CN1CCN(c2ncccc2[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000072216571 257688221 /nfs/dbraw/zinc/68/82/21/257688221.db2.gz BYMDSLYMXAZQPL-FQEVSTJZSA-N 0 3 336.483 3.171 40 0 EGABHN c1cc(CN2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)co1 ZINC000306138324 257923322 /nfs/dbraw/zinc/92/33/22/257923322.db2.gz RUWBVOBHKUCRTA-GOSISDBHSA-N 0 3 345.406 3.374 40 0 EGABHN C[C@H](c1ccccc1)N1CCC(N2C(=O)N3CCC[C@@]3(C)C2=O)CC1 ZINC000253630256 279607215 /nfs/dbraw/zinc/60/72/15/279607215.db2.gz QPJUITBSPGLSNS-QRWLVFNGSA-N 0 3 341.455 3.029 40 0 EGABHN C[C@H](NC[C@@]1(CCO)CCOC1)c1ccc(Br)cc1F ZINC000127752410 323218767 /nfs/dbraw/zinc/21/87/67/323218767.db2.gz JNKJSUISNNGKRS-XHDPSFHLSA-N 0 3 346.240 3.028 40 0 EGABHN Cc1c([C@@H](C)N[C@@H]2C=C[C@H](CO)C2)cnn1-c1cccc(Cl)c1 ZINC000183584778 455308369 /nfs/dbraw/zinc/30/83/69/455308369.db2.gz DJRQCZMFMOOREW-IVMMDQJWSA-N 0 3 331.847 3.422 40 0 EGABHN CC[C@@H](OC[C@@H](O)CN(CCO)Cc1ccccc1)c1ccccc1 ZINC000006449991 452945205 /nfs/dbraw/zinc/94/52/05/452945205.db2.gz ITVGMNRFDVQDOW-LEWJYISDSA-N 0 3 343.467 3.010 40 0 EGABHN CNc1snc(C)c1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000027602736 453819457 /nfs/dbraw/zinc/81/94/57/453819457.db2.gz XBHBLWMVXXAQKJ-OAHLLOKOSA-N 0 3 344.484 3.060 40 0 EGABHN O=C(NCc1ccc(F)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044932056 454127156 /nfs/dbraw/zinc/12/71/56/454127156.db2.gz HHFOHZCJDBXJLQ-KRWDZBQOSA-N 0 3 344.405 3.493 40 0 EGABHN O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(Cl)s1 ZINC000070928446 454186188 /nfs/dbraw/zinc/18/61/88/454186188.db2.gz PUKNOEJRKMHJAA-UHFFFAOYSA-N 0 3 335.860 3.443 40 0 EGABHN COc1ccc(OC)c(NC(=O)NC[C@H](C)N2CCCC[C@H]2C)c1 ZINC000045959118 454201606 /nfs/dbraw/zinc/20/16/06/454201606.db2.gz OMVFRRMEUIIWAT-KGLIPLIRSA-N 0 3 335.448 3.088 40 0 EGABHN [NH3+][C@H](Cc1ccccc1)c1nnc(-c2ccc(Br)o2)[n-]1 ZINC000095534921 454230325 /nfs/dbraw/zinc/23/03/25/454230325.db2.gz YSTOKKHTJCYJGB-SNVBAGLBSA-N 0 3 333.189 3.070 40 0 EGABHN N[C@H](Cc1ccccc1)c1nc(-c2ccc(Br)o2)n[nH]1 ZINC000095534921 454230327 /nfs/dbraw/zinc/23/03/27/454230327.db2.gz YSTOKKHTJCYJGB-SNVBAGLBSA-N 0 3 333.189 3.070 40 0 EGABHN O=C(c1cccnc1)N1CCC[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096047033 454270356 /nfs/dbraw/zinc/27/03/56/454270356.db2.gz ZAAUWFXJWPUFIQ-LJQANCHMSA-N 0 3 341.480 3.271 40 0 EGABHN Cc1ccc(CN2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)o1 ZINC000096050622 454272496 /nfs/dbraw/zinc/27/24/96/454272496.db2.gz TXXGINYKGIRKGZ-HXUWFJFHSA-N 0 3 342.414 3.352 40 0 EGABHN Fc1cccc(O[C@@H]2C[C@H]3CN(Cc4ccsc4)CCN3C2)c1 ZINC000096055142 454274030 /nfs/dbraw/zinc/27/40/30/454274030.db2.gz AYIWWODBHTWUJB-FUHWJXTLSA-N 0 3 332.444 3.225 40 0 EGABHN Cc1ccc(CN2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)o1 ZINC000096055148 454275306 /nfs/dbraw/zinc/27/53/06/454275306.db2.gz JJGSEOORIJZVGU-VQIMIIECSA-N 0 3 330.403 3.065 40 0 EGABHN COC[C@@H]1CN(CC2CCOCC2)Cc2cn(CC3CCCC3)nc21 ZINC000096059998 454276985 /nfs/dbraw/zinc/27/69/85/454276985.db2.gz OTIFKQXQXCEPTF-IBGZPJMESA-N 0 3 347.503 3.046 40 0 EGABHN Cc1ccc(CN2CCC3(C[C@@H](c4ccncc4)C(=O)N3)CC2)s1 ZINC000096061401 454277167 /nfs/dbraw/zinc/27/71/67/454277167.db2.gz IJLMGTLRFTXBBK-KRWDZBQOSA-N 0 3 341.480 3.090 40 0 EGABHN c1sc([C@@H]2C[C@@H]3CCN(C4CCOCC4)C[C@H]3O2)nc1C1CC1 ZINC000096070696 454278194 /nfs/dbraw/zinc/27/81/94/454278194.db2.gz PAILLNUVCSKOJP-RRQGHBQHSA-N 0 3 334.485 3.351 40 0 EGABHN O=C(c1ccsc1)N1CCC[C@]2(CCCN2Cc2ccncc2)C1 ZINC000096071495 454278325 /nfs/dbraw/zinc/27/83/25/454278325.db2.gz OCMWWQYJIYAJMA-IBGZPJMESA-N 0 3 341.480 3.414 40 0 EGABHN O=C(Nc1ccccc1)N1C[C@H]2CN(CCCc3ccccc3)[C@H]2C1 ZINC000096080590 454280129 /nfs/dbraw/zinc/28/01/29/454280129.db2.gz ODAWGHBAUACBMA-QUCCMNQESA-N 0 3 335.451 3.467 40 0 EGABHN Cc1ccc(CN2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)o1 ZINC000096107031 454284709 /nfs/dbraw/zinc/28/47/09/454284709.db2.gz VIFVOMJRTQQNCR-MRXNPFEDSA-N 0 3 346.402 3.325 40 0 EGABHN CCO[C@H]1COC2(C1)CCN(Cc1ccc3ccccc3n1)CC2 ZINC000096106574 454284837 /nfs/dbraw/zinc/28/48/37/454284837.db2.gz WSOFABHWAMFTJD-GOSISDBHSA-N 0 3 326.440 3.395 40 0 EGABHN Cc1ccc(CN2CC[C@]3(C[C@@H](OCc4csc(C)n4)CO3)C2)o1 ZINC000096107785 454286149 /nfs/dbraw/zinc/28/61/49/454286149.db2.gz XTAWDSZIGVRJIV-MSOLQXFVSA-N 0 3 348.468 3.303 40 0 EGABHN Cc1cnc(N2CCC3(CC(N(C)Cc4ccncc4)C3)CC2)nc1 ZINC000096159276 454295588 /nfs/dbraw/zinc/29/55/88/454295588.db2.gz XZNDUXVYMRWLNF-UHFFFAOYSA-N 0 3 337.471 3.061 40 0 EGABHN c1cc(CN2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)cs1 ZINC000096186160 454300389 /nfs/dbraw/zinc/30/03/89/454300389.db2.gz SFIUSEKCAGOJSH-FHWLQOOXSA-N 0 3 344.480 3.482 40 0 EGABHN COCCO[C@H]1CCN(Cc2cc(C)c(C)o2)[C@H]1Cc1ccncc1 ZINC000096200765 454303078 /nfs/dbraw/zinc/30/30/78/454303078.db2.gz MBZLPTIIAZRAKV-PMACEKPBSA-N 0 3 344.455 3.140 40 0 EGABHN CCc1cnc(N2CC[C@@]3(C2)CCCN(Cc2ccc(C)o2)C3)nc1 ZINC000096215889 454304849 /nfs/dbraw/zinc/30/48/49/454304849.db2.gz WZQOULXVFAQJCH-FQEVSTJZSA-N 0 3 340.471 3.433 40 0 EGABHN Cc1ccc(CN2CCC[C@]3(CCN(C(=O)c4ccc[nH]4)C3)C2)o1 ZINC000096215914 454305383 /nfs/dbraw/zinc/30/53/83/454305383.db2.gz RZWCNMIZXCBSFW-IBGZPJMESA-N 0 3 327.428 3.044 40 0 EGABHN Cc1cccc(CN2CC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)c1 ZINC000096218301 454307522 /nfs/dbraw/zinc/30/75/22/454307522.db2.gz BNOAPJQFMYWJRB-RTWAWAEBSA-N 0 3 338.451 3.340 40 0 EGABHN Cn1ccc(CN2CCCC23CCN(Cc2cccc(F)c2)CC3)n1 ZINC000096227944 454308837 /nfs/dbraw/zinc/30/88/37/454308837.db2.gz GRBANQWGMMZDNA-UHFFFAOYSA-N 0 3 342.462 3.190 40 0 EGABHN CN(C)CCOc1ccc(NC(=O)CC[C@@H]2CCCO2)cc1Cl ZINC000096408504 454326197 /nfs/dbraw/zinc/32/61/97/454326197.db2.gz BBHYBRQAWIWUKN-AWEZNQCLSA-N 0 3 340.851 3.178 40 0 EGABHN O=C(Nc1ccc(OC2CCC2)c(F)c1)N1CC[C@@H](N2CCCC2)C1 ZINC000096452266 454356848 /nfs/dbraw/zinc/35/68/48/454356848.db2.gz IQRAFRSULFERFJ-OAHLLOKOSA-N 0 3 347.434 3.459 40 0 EGABHN CNS(=O)(=O)c1cccc([C@H](C)NC[C@H](C)c2ccsc2)c1 ZINC000096478866 454363521 /nfs/dbraw/zinc/36/35/21/454363521.db2.gz PZEDTZWYPKFARX-STQMWFEESA-N 0 3 338.498 3.111 40 0 EGABHN CC(=O)Nc1cccc([C@@H](C)N[C@H]2CCN(c3ncccc3F)C2)c1 ZINC000096479251 454363666 /nfs/dbraw/zinc/36/36/66/454363666.db2.gz ALAGLLHCBOENEU-DYVFJYSZSA-N 0 3 342.418 3.109 40 0 EGABHN O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(CCc2ccncc2)C1 ZINC000096483688 454366256 /nfs/dbraw/zinc/36/62/56/454366256.db2.gz AESKDEZQMFYFSU-SJORKVTESA-N 0 3 336.357 3.451 40 0 EGABHN C[C@H](NCc1ccccc1OCC1CC1)c1cccc(-n2cnnn2)c1 ZINC000097228458 454427732 /nfs/dbraw/zinc/42/77/32/454427732.db2.gz ATDGQHULFSDCMA-HNNXBMFYSA-N 0 3 349.438 3.302 40 0 EGABHN COc1ccc(CN2CCC3(CC2)c2ccccc2N(C)C3=O)cc1 ZINC000104998128 454614754 /nfs/dbraw/zinc/61/47/54/454614754.db2.gz KWMSGFRHEQFOPC-UHFFFAOYSA-N 0 3 336.435 3.205 40 0 EGABHN Cc1ncsc1CN1CCC2(CC(Nc3ncccn3)C2)CC1 ZINC000108528962 454801284 /nfs/dbraw/zinc/80/12/84/454801284.db2.gz PVMLFNBIRCAKSC-UHFFFAOYSA-N 0 3 329.473 3.098 40 0 EGABHN Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccn(CCN(C)C)n2)c1 ZINC000173931343 455342945 /nfs/dbraw/zinc/34/29/45/455342945.db2.gz MAUVWGYVLPEGBH-KRWDZBQOSA-N 0 3 341.459 3.122 40 0 EGABHN O[C@]1(c2cccnc2)CCC[C@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]21 ZINC000247849430 455648884 /nfs/dbraw/zinc/64/88/84/455648884.db2.gz GCEVUISTTAMAGY-VPWXQRGCSA-N 0 3 344.405 3.480 40 0 EGABHN Cc1cc(NC(=O)[C@H](C)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)on1 ZINC000192759971 455688205 /nfs/dbraw/zinc/68/82/05/455688205.db2.gz DKAOFWMTQNYOIH-ZOBUZTSGSA-N 0 3 343.427 3.068 40 0 EGABHN Cc1nnc(CN(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)s1 ZINC000253418483 455843563 /nfs/dbraw/zinc/84/35/63/455843563.db2.gz QYXBSRYVHXQKCR-RHSMWYFYSA-N 0 3 330.501 3.331 40 0 EGABHN Cc1c2cccc(C)c2oc1C(=O)NCCCNCc1cccnc1 ZINC000195542776 455982866 /nfs/dbraw/zinc/98/28/66/455982866.db2.gz VCSCUBZAKKIEKF-UHFFFAOYSA-N 0 3 337.423 3.354 40 0 EGABHN CN(C)CCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000225403595 456079365 /nfs/dbraw/zinc/07/93/65/456079365.db2.gz PFZKZTFNLFLJNQ-UHFFFAOYSA-N 0 3 325.787 3.207 40 0 EGABHN Cc1cc(Cl)ccc1CN1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000136222464 533779898 /nfs/dbraw/zinc/77/98/98/533779898.db2.gz LYZKEFOBWGMYIT-RDJZCZTQSA-N 0 3 333.863 3.328 40 0 EGABHN Fc1ccc(Sc2c(F)c(F)nc(N3CCNCC3)c2F)cc1 ZINC000000034600 526360815 /nfs/dbraw/zinc/36/08/15/526360815.db2.gz LYWJSNMDUCITHD-UHFFFAOYSA-N 0 3 343.349 3.199 40 0 EGABHN CN(C)c1cc([C@H]2CCCN(C(=O)c3[nH]nc4ccccc43)C2)ccn1 ZINC000257255743 536145441 /nfs/dbraw/zinc/14/54/41/536145441.db2.gz KIRKVNUMXYZKHY-HNNXBMFYSA-N 0 3 349.438 3.044 40 0 EGABHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccncc1Cl ZINC000174428947 529970878 /nfs/dbraw/zinc/97/08/78/529970878.db2.gz SMGAXQXGVGIIJL-MRXNPFEDSA-N 0 3 343.858 3.329 40 0 EGABHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccccc1 ZINC000039964086 213247146 /nfs/dbraw/zinc/24/71/46/213247146.db2.gz HXCXUHSUKRUQLE-QGZVFWFLSA-N 0 3 346.390 3.115 40 0 EGABHN COc1ccc(CN2CCC[C@H](c3nccnc3-n3ccnc3)C2)cc1 ZINC000072350511 216162466 /nfs/dbraw/zinc/16/24/66/216162466.db2.gz LXRWHWPFZBZOFZ-KRWDZBQOSA-N 0 3 349.438 3.051 40 0 EGABHN O=C(Nc1cnccn1)c1cccc([C@@H]2CCCN2C2CCCC2)n1 ZINC000072355772 216163867 /nfs/dbraw/zinc/16/38/67/216163867.db2.gz BAYAJWYHUAYCGV-KRWDZBQOSA-N 0 3 337.427 3.203 40 0 EGABHN Fc1ccc(CN2CCC(c3cncc(-n4ccnc4)n3)CC2)cc1 ZINC000072355447 216164544 /nfs/dbraw/zinc/16/45/44/216164544.db2.gz VACQJTUAOSXWLN-UHFFFAOYSA-N 0 3 337.402 3.181 40 0 EGABHN CCn1cncc1CN1C[C@@H]2CCC[C@](O)(c3ccc(F)cc3)[C@@H]2C1 ZINC000072389640 216190173 /nfs/dbraw/zinc/19/01/73/216190173.db2.gz YQYYLUYPHMUQTK-BEVDRBHNSA-N 0 3 343.446 3.162 40 0 EGABHN Cn1cncc1CN1CCC[C@H](c2ccnc(Nc3ccccn3)c2)C1 ZINC000257206758 244136623 /nfs/dbraw/zinc/13/66/23/244136623.db2.gz BEUQNPJOSHKPIK-KRWDZBQOSA-N 0 3 348.454 3.333 40 0 EGABHN CCN1CCC[C@H]1CN(Cc1nc2ccccc2[nH]1)Cc1ccccn1 ZINC000019527146 212038054 /nfs/dbraw/zinc/03/80/54/212038054.db2.gz WPFZJUAERDKAKT-SFHVURJKSA-N 0 3 349.482 3.444 40 0 EGABHN COc1cccc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1OC ZINC000019359679 212020767 /nfs/dbraw/zinc/02/07/67/212020767.db2.gz VJLNIMQTDUUJFE-ZIFCJYIRSA-N 0 3 342.483 3.034 40 0 EGABHN c1csc(CN2C[C@H]3CCc4nnc(-c5cccnc5)n4[C@H]3C2)c1 ZINC000019341542 212018230 /nfs/dbraw/zinc/01/82/30/212018230.db2.gz AFIYQXKOGBYPGK-ZBFHGGJFSA-N 0 3 337.452 3.021 40 0 EGABHN C[C@@H](NCc1cccs1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000078553307 217075750 /nfs/dbraw/zinc/07/57/50/217075750.db2.gz PWUUBTKCOXEFGD-CQSZACIVSA-N 0 3 333.476 3.490 40 0 EGABHN COc1cc(CN[C@@H]2CCN(c3ccccc3)C2)cc(OC)c1OC ZINC000078604214 217085966 /nfs/dbraw/zinc/08/59/66/217085966.db2.gz OBVGDZXQRVVOQW-MRXNPFEDSA-N 0 3 342.439 3.081 40 0 EGABHN O=c1[nH]c2ccccc2cc1CN(CCO)[C@@H]1CCCc2ccccc21 ZINC000079311571 217206903 /nfs/dbraw/zinc/20/69/03/217206903.db2.gz KCTIKPOGLMSODE-OAQYLSRUSA-N 0 3 348.446 3.400 40 0 EGABHN CCOc1ccc(CN2CCC(c3[nH]nc4nccnc43)CC2)cc1 ZINC000012228304 211325603 /nfs/dbraw/zinc/32/56/03/211325603.db2.gz FMXKFKQBDMIXQA-UHFFFAOYSA-N 0 3 337.427 3.131 40 0 EGABHN Cc1ccc([C@]2(O)CCC[C@H]3CN(Cc4cnc(C)nc4)C[C@@H]32)cc1 ZINC000012186324 211313891 /nfs/dbraw/zinc/31/38/91/211313891.db2.gz LOEHXFLWUKAUCB-SESVDKBCSA-N 0 3 337.467 3.213 40 0 EGABHN C[C@@H](N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cnccn1 ZINC000095422510 218364780 /nfs/dbraw/zinc/36/47/80/218364780.db2.gz KNNJMFUADCRUNG-TZMCWYRMSA-N 0 3 336.361 3.425 40 0 EGABHN COC(=O)N1CCC(N[C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000097373249 219017711 /nfs/dbraw/zinc/01/77/11/219017711.db2.gz CMMKNQYWOMNWQX-SFHVURJKSA-N 0 3 343.402 3.131 40 0 EGABHN Cc1nc(CCN2CCC[C@H](c3nnc4n3CCCCC4)C2)cs1 ZINC000119075621 221238067 /nfs/dbraw/zinc/23/80/67/221238067.db2.gz SCWJKNXQVQQECI-HNNXBMFYSA-N 0 3 345.516 3.192 40 0 EGABHN C[C@H](CCN[C@H]1CCc2c1cccc2Br)[S@](C)=O ZINC000091398856 279268055 /nfs/dbraw/zinc/26/80/55/279268055.db2.gz LACQNTZIRDSNLO-FWVNDXEPSA-N 0 3 330.291 3.183 40 0 EGABHN C[C@@H](NC[C@@]1(CCO)CCOC1)c1ccc(Br)cc1F ZINC000127752681 323218753 /nfs/dbraw/zinc/21/87/53/323218753.db2.gz JNKJSUISNNGKRS-IAQYHMDHSA-N 0 3 346.240 3.028 40 0 EGABHN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C)cc1O ZINC000000338223 452565826 /nfs/dbraw/zinc/56/58/26/452565826.db2.gz MPYHGNAJOKCMAQ-MRXNPFEDSA-N 0 3 343.423 3.190 40 0 endogenous,in-man EGABHN Cc1[nH]c2ccccc2c1[C@H](c1ccccn1)N1CCC(C(N)=O)CC1 ZINC000001098056 452645350 /nfs/dbraw/zinc/64/53/50/452645350.db2.gz FMNVUAXKHPGQSN-FQEVSTJZSA-N 0 3 348.450 3.158 40 0 EGABHN CCN(Cc1ccccc1)C[C@@H](O)COc1ccc(C(C)=O)cc1 ZINC000001475572 452668343 /nfs/dbraw/zinc/66/83/43/452668343.db2.gz KXAMIVMIZWCHGN-LJQANCHMSA-N 0 3 327.424 3.151 40 0 EGABHN CC[C@H](CO)NCc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000008337058 453193648 /nfs/dbraw/zinc/19/36/48/453193648.db2.gz RWIFJXVKENNAHD-QGZVFWFLSA-N 0 3 333.403 3.274 40 0 EGABHN COc1c(Br)cc(Br)cc1CNC1CC1 ZINC000008469436 453204791 /nfs/dbraw/zinc/20/47/91/453204791.db2.gz LLVYUDRCRSLVGB-UHFFFAOYSA-N 0 3 335.039 3.472 40 0 EGABHN COc1cccc(CNC[C@@H](C)O)c1OCc1ccc(Cl)cc1 ZINC000008535100 453212681 /nfs/dbraw/zinc/21/26/81/453212681.db2.gz QCXXABIGWFYBLH-CYBMUJFWSA-N 0 3 335.831 3.398 40 0 EGABHN CN(Cc1ccc(-n2cccn2)cc1)C[C@H]1COc2ccccc2O1 ZINC000016378830 453605295 /nfs/dbraw/zinc/60/52/95/453605295.db2.gz JMCSRWYWSOGAHZ-SFHVURJKSA-N 0 3 335.407 3.144 40 0 EGABHN COc1cccc2cc(CN3CCCC[C@@H]4[C@H]3CCN4C(C)=O)oc21 ZINC000019712560 453658451 /nfs/dbraw/zinc/65/84/51/453658451.db2.gz UHYFBPKSZLRNLW-QZTJIDSGSA-N 0 3 342.439 3.417 40 0 EGABHN COc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1F ZINC000029839726 453832024 /nfs/dbraw/zinc/83/20/24/453832024.db2.gz GXMJQYZDTYYEHG-UHFFFAOYSA-N 0 3 342.414 3.013 40 0 EGABHN CC[C@@H](CNC(=O)Cc1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000032445867 453872925 /nfs/dbraw/zinc/87/29/25/453872925.db2.gz ANUHXJLZDBSALA-FQEVSTJZSA-N 0 3 340.442 3.321 40 0 EGABHN COc1cccc(COC[C@@H](O)CN2CCc3sccc3[C@@H]2C)c1 ZINC000032489807 453875763 /nfs/dbraw/zinc/87/57/63/453875763.db2.gz YYZCKVOFEQSCLK-HOCLYGCPSA-N 0 3 347.480 3.254 40 0 EGABHN C[C@@H](CNC(=O)N(C)CC1CCN(C)CC1)Sc1ccccc1 ZINC000075805087 453927399 /nfs/dbraw/zinc/92/73/99/453927399.db2.gz KCWZMMPVOBUTOF-HNNXBMFYSA-N 0 3 335.517 3.150 40 0 EGABHN O=C1c2ccc3c4c(ccc(c42)C(=O)N1CCN1CCCCC1)CC3 ZINC000059484438 454260780 /nfs/dbraw/zinc/26/07/80/454260780.db2.gz GVXKHURWAWIBQA-UHFFFAOYSA-N 0 3 334.419 3.020 40 0 EGABHN Cc1ccc(CN2CC[C@]3(C2)CCCN(C(=O)c2cccnc2)C3)o1 ZINC000096047042 454269960 /nfs/dbraw/zinc/26/99/60/454269960.db2.gz FFRSFKRQZIYUMR-FQEVSTJZSA-N 0 3 339.439 3.111 40 0 EGABHN c1ccc(CO[C@@H]2COC3(C2)CCN(Cc2ccccn2)CC3)cc1 ZINC000096047861 454271513 /nfs/dbraw/zinc/27/15/13/454271513.db2.gz BAVPYNRVSDXKRF-FQEVSTJZSA-N 0 3 338.451 3.422 40 0 EGABHN CN(Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1ccco1)CC2 ZINC000096047996 454271625 /nfs/dbraw/zinc/27/16/25/454271625.db2.gz YCMVVDRBPHZKPO-MRXNPFEDSA-N 0 3 330.428 3.128 40 0 EGABHN O=C1N(c2ccsc2)CC[C@]12CCCN(Cc1ccccn1)C2 ZINC000096048746 454271872 /nfs/dbraw/zinc/27/18/72/454271872.db2.gz YJWNMKOPHNDTMJ-SFHVURJKSA-N 0 3 327.453 3.162 40 0 EGABHN Cc1ccc(CN2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)o1 ZINC000096050621 454272812 /nfs/dbraw/zinc/27/28/12/454272812.db2.gz TXXGINYKGIRKGZ-FQEVSTJZSA-N 0 3 342.414 3.352 40 0 EGABHN Cc1ccc(CN2CCC3(C[C@H](c4cccnc4)C(=O)N3)CC2)s1 ZINC000096061378 454276949 /nfs/dbraw/zinc/27/69/49/454276949.db2.gz ZQHNTDOZNFSRPE-QGZVFWFLSA-N 0 3 341.480 3.090 40 0 EGABHN c1coc(CN2CCC3(CO[C@H](COCc4cccnc4)C3)CC2)c1 ZINC000096106134 454283494 /nfs/dbraw/zinc/28/34/94/454283494.db2.gz VBAISRNXVALNHB-IBGZPJMESA-N 0 3 342.439 3.263 40 0 EGABHN Cn1ccnc1CN1CCC2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC000096157582 454293931 /nfs/dbraw/zinc/29/39/31/454293931.db2.gz KAVDDWFPFHNSRJ-UHFFFAOYSA-N 0 3 342.462 3.047 40 0 EGABHN Fc1ccc(CN2CCc3ncnc(-c4ccncc4)c3CC2)cc1 ZINC000096187629 454299792 /nfs/dbraw/zinc/29/97/92/454299792.db2.gz HWBDOSRUSYXBMQ-UHFFFAOYSA-N 0 3 334.398 3.279 40 0 EGABHN Cc1cc(CN2CC[C@@]3(C2)CCCN(c2ccc(C)nn2)C3)oc1C ZINC000096217076 454307150 /nfs/dbraw/zinc/30/71/50/454307150.db2.gz RRFROSOVIIUGDV-HXUWFJFHSA-N 0 3 340.471 3.487 40 0 EGABHN Cc1ccsc1CN1C[C@H]2OC[C@H](COc3ccc(C)nc3)[C@H]2C1 ZINC000096219461 454307338 /nfs/dbraw/zinc/30/73/38/454307338.db2.gz LCIYHDSDYJAICD-CGTJXYLNSA-N 0 3 344.480 3.286 40 0 EGABHN CN1CCC[C@@]2(CCN(C(=O)c3cccc(C(F)(F)F)c3)C2)C1 ZINC000096268569 454314980 /nfs/dbraw/zinc/31/49/80/454314980.db2.gz UTYAWJRGYFHCBP-MRXNPFEDSA-N 0 3 326.362 3.263 40 0 EGABHN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@H]1CCCN(C)C1 ZINC000096414432 454331137 /nfs/dbraw/zinc/33/11/37/454331137.db2.gz XUOJEJSVBJBSSH-DZGCQCFKSA-N 0 3 342.405 3.342 40 0 EGABHN COc1cc(OC)cc(N2CC[C@H](NCc3sc(C)nc3C)C2)c1 ZINC000096449342 454355564 /nfs/dbraw/zinc/35/55/64/454355564.db2.gz HRPQNBSEGPWDTB-AWEZNQCLSA-N 0 3 347.484 3.146 40 0 EGABHN Cn1cc([C@](C)(O)CNCc2cc(C(F)(F)F)ccc2Cl)cn1 ZINC000096483938 454366576 /nfs/dbraw/zinc/36/65/76/454366576.db2.gz CNWJQROVWJVNSV-CQSZACIVSA-N 0 3 347.768 3.090 40 0 EGABHN CC(C)NC(=O)[C@@H]1CCC[C@@H](NCc2ccn(-c3ccccc3)n2)C1 ZINC000091060651 454374439 /nfs/dbraw/zinc/37/44/39/454374439.db2.gz XKFHEMFATZECPT-IAGOWNOFSA-N 0 3 340.471 3.045 40 0 EGABHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(C2CC2)on1 ZINC000065938575 454642699 /nfs/dbraw/zinc/64/26/99/454642699.db2.gz FCDANYWNDZAVQW-UHFFFAOYSA-N 0 3 349.381 3.034 40 0 EGABHN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc(Cl)c[nH]2)CC1 ZINC000155398246 454996850 /nfs/dbraw/zinc/99/68/50/454996850.db2.gz AAGHPQPDZWEBNI-GFCCVEGCSA-N 0 3 332.835 3.019 40 0 EGABHN C/C(=C\c1ccccc1)CN[C@H](C)Cn1ncc2ccccc2c1=O ZINC000192706030 455673809 /nfs/dbraw/zinc/67/38/09/455673809.db2.gz PYADVVWJNHBIOA-NWNNTGRJSA-N 0 3 333.435 3.478 40 0 EGABHN C[C@@H]1CN(Cc2ccccn2)C[C@]12CCN(c1ccsc1)C2=O ZINC000249694934 455767860 /nfs/dbraw/zinc/76/78/60/455767860.db2.gz PXRWQMPRCGFUMF-RDTXWAMCSA-N 0 3 327.453 3.018 40 0 EGABHN CS(=O)(=O)CCCCN1CCC[C@@H]1[C@H]1CCCc2ccccc21 ZINC000252486186 455811012 /nfs/dbraw/zinc/81/10/12/455811012.db2.gz GMYMFWXGMSIVJE-RBUKOAKNSA-N 0 3 335.513 3.396 40 0 EGABHN CC[C@H]1CCCCN1CC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000253605486 455854929 /nfs/dbraw/zinc/85/49/29/455854929.db2.gz GWIKTCAIDIIMEL-YJBOKZPZSA-N 0 3 340.471 3.491 40 0 EGABHN Clc1cc(Cl)cc(CCN2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000194609637 455865061 /nfs/dbraw/zinc/86/50/61/455865061.db2.gz KBRHPMCEPPKLKB-OAHLLOKOSA-N 0 3 343.298 3.190 40 0 EGABHN CO[C@@H]1CCCOC12CCN(Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000257306674 455887418 /nfs/dbraw/zinc/88/74/18/455887418.db2.gz SVHUQMGGPSTOEF-GOSISDBHSA-N 0 3 341.455 3.237 40 0 EGABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)c1 ZINC000257309963 455889294 /nfs/dbraw/zinc/88/92/94/455889294.db2.gz UDCINRZJUBHEIA-CYBMUJFWSA-N 0 3 341.459 3.082 40 0 EGABHN CNC(=O)c1sc2nc([C@@H]3CCCCN3CC3CC3)ccc2c1N ZINC000257323944 455891963 /nfs/dbraw/zinc/89/19/63/455891963.db2.gz WMNIPBDDHSRQHD-AWEZNQCLSA-N 0 3 344.484 3.175 40 0 EGABHN Cc1cc(Cl)ccc1CN1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000195566228 455986048 /nfs/dbraw/zinc/98/60/48/455986048.db2.gz LYZKEFOBWGMYIT-DOTOQJQBSA-N 0 3 333.863 3.328 40 0 EGABHN CC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225601926 456097493 /nfs/dbraw/zinc/09/74/93/456097493.db2.gz VSYCJKMONWZSNH-IBGZPJMESA-N 0 3 334.460 3.305 40 0 EGABHN COc1ccc([C@@H]2C[C@H](C)N(C(=O)C[C@H](N)c3ccccc3)C2)cc1 ZINC000230458188 456138859 /nfs/dbraw/zinc/13/88/59/456138859.db2.gz DONGDOLUPYITIL-CVAIRZPRSA-N 0 3 338.451 3.490 40 0 EGABHN c1coc(CN2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306137404 456566630 /nfs/dbraw/zinc/56/66/30/456566630.db2.gz QVMQMPHQBCNCAV-KRWDZBQOSA-N 0 3 345.406 3.374 40 0 EGABHN Cc1ccsc1CN1C[C@H]2OC[C@H](CNc3ccccn3)[C@H]2C1 ZINC000306143421 456569413 /nfs/dbraw/zinc/56/94/13/456569413.db2.gz YCAFLQQADCGACF-ARFHVFGLSA-N 0 3 329.469 3.010 40 0 EGABHN Cc1nc(C)c(CN2CCC[C@]3(CCC(=O)N3CCF)CC2)s1 ZINC000585100586 459823342 /nfs/dbraw/zinc/82/33/42/459823342.db2.gz OUFFAQAEDOICGQ-KRWDZBQOSA-N 0 3 339.480 3.077 40 0 EGABHN Cc1ccccc1CN1CC2(C1)C[C@@H](OCC1CCOCC1)CS2 ZINC000585104638 459824129 /nfs/dbraw/zinc/82/41/29/459824129.db2.gz JZWKOGUYEMXPFR-LJQANCHMSA-N 0 3 347.524 3.498 40 0 EGABHN O[C@@]1(COc2ccc(Cl)cc2)COCCN(C2CCCCC2)C1 ZINC000585282253 459832479 /nfs/dbraw/zinc/83/24/79/459832479.db2.gz ZZUHVWKQZIKUEX-GOSISDBHSA-N 0 3 339.863 3.115 40 0 EGABHN O=C(CC1CC1)N[C@H]1COCCC12CCN(Cc1ccsc1)CC2 ZINC000096217230 518198123 /nfs/dbraw/zinc/19/81/23/518198123.db2.gz ICXLVGIEARGCLV-KRWDZBQOSA-N 0 3 348.512 3.036 40 0 EGABHN CC(C)CN1CCO[C@@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1 ZINC000257254488 535114666 /nfs/dbraw/zinc/11/46/66/535114666.db2.gz KDGLPBRHBLYWPA-LJQANCHMSA-N 0 3 347.434 3.200 40 0 EGABHN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccccc1C1CC1 ZINC000584908320 548099166 /nfs/dbraw/zinc/09/91/66/548099166.db2.gz PVOUSNNXZFYMJV-AWEZNQCLSA-N 0 3 344.480 3.404 40 0 EGABHN CN1CCC(NC(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000153737572 530050372 /nfs/dbraw/zinc/05/03/72/530050372.db2.gz LCWVIXQRAVPXMB-ZDUSSCGKSA-N 0 3 349.784 3.337 40 0 EGABHN N[C@H]1C[C@]2(CCC(=O)N(Cc3ccccc3)CC2)Oc2ccccc21 ZINC000072327734 216152977 /nfs/dbraw/zinc/15/29/77/216152977.db2.gz CMEIMTLPZKIBHJ-GHTZIAJQSA-N 0 3 336.435 3.420 40 0 EGABHN COc1cc(CNCCN(C)C)ccc1OCc1ccccc1F ZINC000022075286 212276947 /nfs/dbraw/zinc/27/69/47/212276947.db2.gz ZZKWSXOAUQCRPM-UHFFFAOYSA-N 0 3 332.419 3.065 40 0 EGABHN Cc1cc(-c2nccn2C)nc([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000257272201 244378972 /nfs/dbraw/zinc/37/89/72/244378972.db2.gz NBLFLPUGMDNLLK-QGZVFWFLSA-N 0 3 333.439 3.175 40 0 EGABHN C[C@H]1C[C@@H]1C(=O)N(C)C1CCC2(CC1)CN(C)Cc1ccccc1O2 ZINC000019462659 212031358 /nfs/dbraw/zinc/03/13/58/212031358.db2.gz XYXLQFRGOUIUPI-TYJOOELLSA-N 0 3 342.483 3.307 40 0 EGABHN Cc1ccc([C@]2(O)CC[C@H]3CN(Cc4ccccc4F)C[C@H]32)nc1 ZINC000019216019 212005573 /nfs/dbraw/zinc/00/55/73/212005573.db2.gz QIYLVTNGJOUKIP-VPWXQRGCSA-N 0 3 326.415 3.259 40 0 EGABHN C[C@@H](C(=O)NC[C@@H]1CCCN(C)C1)c1ccc(Br)s1 ZINC000080127379 217281071 /nfs/dbraw/zinc/28/10/71/217281071.db2.gz SFSLXEHEVAEUIE-MNOVXSKESA-N 0 3 345.306 3.072 40 0 EGABHN O[C@@]1(c2cccnc2)CCC[C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@@H]21 ZINC000012337134 211351452 /nfs/dbraw/zinc/35/14/52/211351452.db2.gz GCEVUISTTAMAGY-OXFYSEKESA-N 0 3 344.405 3.480 40 0 EGABHN Cc1cc2nc([C@@H]3CCCN(Cc4ccsc4)C3)cc(N)n2n1 ZINC000012185898 211313070 /nfs/dbraw/zinc/31/30/70/211313070.db2.gz WYULBGNQBYDOQU-CQSZACIVSA-N 0 3 327.457 3.061 40 0 EGABHN CCOc1ccc2[nH]c(C(=O)N(C)CCN3CCCCC3)c(C)c2c1 ZINC000012206194 211320106 /nfs/dbraw/zinc/32/01/06/211320106.db2.gz IGFIMJOYDDOURA-UHFFFAOYSA-N 0 3 343.471 3.433 40 0 EGABHN COC[C@@H]1CCCN(Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000093338016 218215260 /nfs/dbraw/zinc/21/52/60/218215260.db2.gz NTOUQEWGMRFKNF-MRXNPFEDSA-N 0 3 331.435 3.487 40 0 EGABHN CCN1CCC(NC(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000008937809 211019870 /nfs/dbraw/zinc/01/98/70/211019870.db2.gz PUVAAMQDQPEQSM-UHFFFAOYSA-N 0 3 338.451 3.480 40 0 EGABHN COc1ccsc1C(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000096432969 218808519 /nfs/dbraw/zinc/80/85/19/218808519.db2.gz FKEPDRSEXPUFSG-INIZCTEOSA-N 0 3 344.480 3.351 40 0 EGABHN CC[C@H]1C[C@@H]2CN3CCc4c5ccccc5[nH]c4[C@](C(=O)OC)(C2)[C@@H]13 ZINC000005082116 210386794 /nfs/dbraw/zinc/38/67/94/210386794.db2.gz NVVDQMVGALBDGE-JHUWSKFTSA-N 0 3 338.451 3.255 40 0 biogenic,in-vitro EGABHN Cc1cccc(-c2cc3nc4c(c(NCCN(C)C)n3n2)CCC4)c1 ZINC000005001344 210356901 /nfs/dbraw/zinc/35/69/01/210356901.db2.gz KLPRJBCRTLOCMT-UHFFFAOYSA-N 0 3 335.455 3.167 40 0 EGABHN C[C@H](NC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21)c1cccc(F)c1F ZINC000097234317 219002648 /nfs/dbraw/zinc/00/26/48/219002648.db2.gz HWQMXLNTAGFVEC-ZENOOKHLSA-N 0 3 337.414 3.152 40 0 EGABHN C[C@H](CCN[C@@H](C)c1ccc(Br)cc1F)[S@](C)=O ZINC000119208989 221267798 /nfs/dbraw/zinc/26/77/98/221267798.db2.gz XRPXKFAWVUUINM-AUSHCKSDSA-N 0 3 336.270 3.396 40 0 EGABHN COc1cccc([C@@H](O)CN2CCC(O)(c3ccccc3C)CC2)c1 ZINC000012292538 274148852 /nfs/dbraw/zinc/14/88/52/274148852.db2.gz FRYSQBUWQOCPKU-FQEVSTJZSA-N 0 3 341.451 3.021 40 0 EGABHN CCN(CC)CCOC(=O)[C@@H](c1ccccc1)[C@@H](O)C1CCCC1 ZINC000001593592 276099567 /nfs/dbraw/zinc/09/95/67/276099567.db2.gz ZMMPWOWHQKYBOW-OALUTQOASA-N 0 3 333.472 3.206 40 0 EGABHN O=C(c1cc2ccccc2o1)N1CCCSC[C@H]1CN1CCCC1 ZINC000085473185 304510978 /nfs/dbraw/zinc/51/09/78/304510978.db2.gz BVLMTPKBDAQALJ-MRXNPFEDSA-N 0 3 344.480 3.476 40 0 EGABHN CCN1CC[C@H](NCc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000414544604 309087693 /nfs/dbraw/zinc/08/76/93/309087693.db2.gz PECXYSHZTWPPPJ-INIZCTEOSA-N 0 3 332.879 3.326 40 0 EGABHN CCN(CC)CCOC(=O)[C@@](O)(c1ccccc1)c1cccc(C)c1 ZINC000001710806 452675042 /nfs/dbraw/zinc/67/50/42/452675042.db2.gz GUBYXLPUICAYLX-OAQYLSRUSA-N 0 3 341.451 3.116 40 0 EGABHN CN(C)Cc1ccccc1CNC(=O)c1ccc(C(F)(F)F)nc1 ZINC000026347983 453797812 /nfs/dbraw/zinc/79/78/12/453797812.db2.gz KIZPDLCTCVFZAB-UHFFFAOYSA-N 0 3 337.345 3.092 40 0 EGABHN O=C(CCc1ccccc1F)NCCCN1CCc2ccccc2C1 ZINC000032399848 453869845 /nfs/dbraw/zinc/86/98/45/453869845.db2.gz LPLUBIBVKBYATG-UHFFFAOYSA-N 0 3 340.442 3.323 40 0 EGABHN CCOc1ccc(C(=O)NCCN2CCCCCC2)cc1OCC ZINC000075863398 453933465 /nfs/dbraw/zinc/93/34/65/453933465.db2.gz MWYVJUJEFUEQCI-UHFFFAOYSA-N 0 3 334.460 3.090 40 0 EGABHN CC(C)(NCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(Cl)cc1 ZINC000084370338 453986261 /nfs/dbraw/zinc/98/62/61/453986261.db2.gz KPFMGWQSYMVKPO-UHFFFAOYSA-N 0 3 349.862 3.029 40 0 EGABHN C[C@H](c1ccccc1)N1CCC(NC(=O)NCCn2cccc2)CC1 ZINC000084440361 453989123 /nfs/dbraw/zinc/98/91/23/453989123.db2.gz GYJQFBMOSGANGB-QGZVFWFLSA-N 0 3 340.471 3.013 40 0 EGABHN O=C(c1cc2ccccc2o1)N1CCCSC[C@@H]1CN1CCCC1 ZINC000085473182 454030893 /nfs/dbraw/zinc/03/08/93/454030893.db2.gz BVLMTPKBDAQALJ-INIZCTEOSA-N 0 3 344.480 3.476 40 0 EGABHN O=C(NCc1ccco1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000057958355 454158555 /nfs/dbraw/zinc/15/85/55/454158555.db2.gz VUODCRSPRRISRA-UHFFFAOYSA-N 0 3 345.468 3.193 40 0 EGABHN CCOc1cc([C@H](N)c2n[nH]c(-c3ccc(F)cc3)n2)ccc1OC ZINC000095534352 454230685 /nfs/dbraw/zinc/23/06/85/454230685.db2.gz QHUJCHFIYGWNRD-INIZCTEOSA-N 0 3 342.374 3.066 40 0 EGABHN CCOc1ccc(-c2nc([C@@H](N)c3ccc(C)cc3)n[nH]2)cc1OC ZINC000095534203 454231058 /nfs/dbraw/zinc/23/10/58/454231058.db2.gz FYSVXQNIEYJXAI-KRWDZBQOSA-N 0 3 338.411 3.236 40 0 EGABHN Fc1ccc(CN2CC[C@@]3(C2)CCCN(c2ncccn2)C3)cc1 ZINC000096047155 454269790 /nfs/dbraw/zinc/26/97/90/454269790.db2.gz MHPWFKDJNDAYSL-LJQANCHMSA-N 0 3 326.419 3.108 40 0 EGABHN O=C1COC2(CCN(Cc3cccs3)CC2)CN1c1ccccc1 ZINC000096049226 454271783 /nfs/dbraw/zinc/27/17/83/454271783.db2.gz NPFYNKKTFDLWIR-UHFFFAOYSA-N 0 3 342.464 3.146 40 0 EGABHN c1csc(CN2CCC[C@]3(C2)COCCN(c2cccnc2)C3)c1 ZINC000096049540 454272468 /nfs/dbraw/zinc/27/24/68/454272468.db2.gz HMCBSXYMUVTODJ-LJQANCHMSA-N 0 3 343.496 3.262 40 0 EGABHN CN(Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1ccco1)CC2 ZINC000096051575 454272684 /nfs/dbraw/zinc/27/26/84/454272684.db2.gz JDLJSUCATREACL-KRWDZBQOSA-N 0 3 328.412 3.389 40 0 EGABHN CN1CCN(c2ccc([C@@H]3CCCN3Cc3ccccc3)cn2)CC1 ZINC000072216511 454273283 /nfs/dbraw/zinc/27/32/83/454273283.db2.gz OYOLBOTZYZOWTI-FQEVSTJZSA-N 0 3 336.483 3.171 40 0 EGABHN CN(Cc1ccco1)C[C@H]1OC[C@@H]2CCN(Cc3ccsc3)C[C@@H]21 ZINC000096056295 454275517 /nfs/dbraw/zinc/27/55/17/454275517.db2.gz SCMLNPXUYUIPOE-YTQUADARSA-N 0 3 346.496 3.310 40 0 EGABHN Fc1ccc(-c2ncnc3c2CCN(Cc2ccccn2)CC3)cc1 ZINC000096058704 454275816 /nfs/dbraw/zinc/27/58/16/454275816.db2.gz MJGGKEOKJFRPEN-UHFFFAOYSA-N 0 3 334.398 3.279 40 0 EGABHN O=C(c1ccsc1)N1CCC[C@@]2(CCCN2Cc2ccncc2)C1 ZINC000096071494 454278828 /nfs/dbraw/zinc/27/88/28/454278828.db2.gz OCMWWQYJIYAJMA-LJQANCHMSA-N 0 3 341.480 3.414 40 0 EGABHN CCO[C@@H]1COC2(C1)CCN(Cc1ccc3ccccc3n1)CC2 ZINC000096106575 454284567 /nfs/dbraw/zinc/28/45/67/454284567.db2.gz WSOFABHWAMFTJD-SFHVURJKSA-N 0 3 326.440 3.395 40 0 EGABHN Cc1noc(C)c1CN1CCC2(CCOC[C@H]2COCC2CC2)CC1 ZINC000096106461 454284983 /nfs/dbraw/zinc/28/49/83/454284983.db2.gz BKBDEPDOYPNZRN-SFHVURJKSA-N 0 3 348.487 3.337 40 0 EGABHN Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2Cc2ccsc2)cn1 ZINC000096200249 454302468 /nfs/dbraw/zinc/30/24/68/454302468.db2.gz MWBVMOJMTYEPSJ-ZWKOTPCHSA-N 0 3 331.485 3.094 40 0 EGABHN c1cc(CN2CC[C@]3(C2)C[C@H](Nc2ccccn2)CCO3)cs1 ZINC000096205992 454304308 /nfs/dbraw/zinc/30/43/08/454304308.db2.gz NRVPLAQTZZBDSM-SJLPKXTDSA-N 0 3 329.469 3.379 40 0 EGABHN Fc1cccc(CN2CC[C@@]3(C2)CCCN(c2ncccn2)C3)c1 ZINC000096216925 454307024 /nfs/dbraw/zinc/30/70/24/454307024.db2.gz YOEIYCGQGADOPN-LJQANCHMSA-N 0 3 326.419 3.108 40 0 EGABHN Cc1ccc(CN2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)o1 ZINC000096244834 454311077 /nfs/dbraw/zinc/31/10/77/454311077.db2.gz CEFVYXYBTXNHLX-NRFANRHFSA-N 0 3 336.435 3.488 40 0 EGABHN CC(C)NC(=O)N1CC[C@@H](F)[C@@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096241270 454311506 /nfs/dbraw/zinc/31/15/06/454311506.db2.gz FEEGXCIVAJOQOH-NVXWUHKLSA-N 0 3 339.480 3.102 40 0 EGABHN c1cc(CN2CC[C@H]3OCCN(Cc4ccncc4)[C@@H]3CC2)cs1 ZINC000096249411 454311744 /nfs/dbraw/zinc/31/17/44/454311744.db2.gz HJVYVSMAVAQMAD-RTBURBONSA-N 0 3 343.496 3.009 40 0 EGABHN CCc1ocnc1C(=O)OC[C@@H]1CCN(C)[C@@H]1c1ccc(OC)cc1 ZINC000096420389 454335575 /nfs/dbraw/zinc/33/55/75/454335575.db2.gz CKKHVRQLKVUALX-KBXCAEBGSA-N 0 3 344.411 3.095 40 0 EGABHN CSc1ccc([C@H](C)NC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000096461206 454359657 /nfs/dbraw/zinc/35/96/57/454359657.db2.gz ZAJALAGMSRMVLZ-ZQIUZPCESA-N 0 3 335.517 3.451 40 0 EGABHN Cc1ccc(S(=O)(=O)N2CCC(N[C@@H](C)c3ccco3)CC2)cc1 ZINC000096476417 454362702 /nfs/dbraw/zinc/36/27/02/454362702.db2.gz GSAQUZANKQWIDK-HNNXBMFYSA-N 0 3 348.468 3.092 40 0 EGABHN CC(=O)Nc1cccc([C@@H](C)N[C@@H]2CCN(c3ncccc3F)C2)c1 ZINC000096479246 454363863 /nfs/dbraw/zinc/36/38/63/454363863.db2.gz ALAGLLHCBOENEU-CXAGYDPISA-N 0 3 342.418 3.109 40 0 EGABHN C[C@@H](CCN[C@@H]1CCCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000096491679 454368748 /nfs/dbraw/zinc/36/87/48/454368748.db2.gz ISVPSVXLECNTKR-SWLSCSKDSA-N 0 3 349.418 3.366 40 0 EGABHN O=S1(=O)CCC[C@@H](NCCc2cccc(-c3ccccc3)c2)C1 ZINC000096491694 454369008 /nfs/dbraw/zinc/36/90/08/454369008.db2.gz AJBFMIOYDMTPMJ-LJQANCHMSA-N 0 3 329.465 3.063 40 0 EGABHN O=C(Nc1ccc(NC2CCOCC2)cc1)[C@@H](C1CC1)N1CCCC1 ZINC000097376439 454434502 /nfs/dbraw/zinc/43/45/02/454434502.db2.gz KNDUPSBQAJNUMA-LJQANCHMSA-N 0 3 343.471 3.090 40 0 EGABHN C[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)c1nccs1 ZINC000097378824 454435985 /nfs/dbraw/zinc/43/59/85/454435985.db2.gz GFABNTBMLOOSDT-DZKIICNBSA-N 0 3 344.484 3.024 40 0 EGABHN COc1ccc(CN2CC[C@H](c3nnc(-c4ccncc4)o3)C2)cc1 ZINC000049169548 454537161 /nfs/dbraw/zinc/53/71/61/454537161.db2.gz UZJGHDGWYYNUQA-INIZCTEOSA-N 0 3 336.395 3.130 40 0 biogenic,in-vitro EGABHN COc1ccccc1-c1nnc([C@H]2CCN(Cc3ccco3)C2)o1 ZINC000049170014 454537392 /nfs/dbraw/zinc/53/73/92/454537392.db2.gz ZIOBMPUEICRAJB-ZDUSSCGKSA-N 0 3 325.368 3.328 40 0 biogenic,in-vitro EGABHN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN2CCC[C@H]2C1 ZINC000249840060 455777695 /nfs/dbraw/zinc/77/76/95/455777695.db2.gz WBVLCVHAYAQPDX-YPMHNXCESA-N 0 3 343.254 3.067 40 0 EGABHN COCCC1(CN2CCO[C@@H]3CC[C@H](OC)C[C@H]32)CCCCC1 ZINC000249940765 455783626 /nfs/dbraw/zinc/78/36/26/455783626.db2.gz SYVKWEDGZQGWQE-RCCFBDPRSA-N 0 3 325.493 3.242 40 0 EGABHN COc1ccc([C@@H]2[C@@H](CNC(=O)C3(SC)CC3)CCCN2C)cc1 ZINC000252499960 455815610 /nfs/dbraw/zinc/81/56/10/455815610.db2.gz SJZJRTORYXMECC-NVXWUHKLSA-N 0 3 348.512 3.090 40 0 EGABHN CC(=O)N1CCN(c2ccncc2)[C@@H](c2ccc(OC(C)C)cc2)C1 ZINC000257342883 455895735 /nfs/dbraw/zinc/89/57/35/455895735.db2.gz ZQMJFHYOLAQVGE-HXUWFJFHSA-N 0 3 339.439 3.279 40 0 EGABHN CC1(C)CCCN[C@H]1C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000261798471 455950159 /nfs/dbraw/zinc/95/01/59/455950159.db2.gz ZSLLKEYOXSZZQA-AWEZNQCLSA-N 0 3 344.377 3.022 40 0 EGABHN COC1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCC(C)CC1 ZINC000225640176 456100073 /nfs/dbraw/zinc/10/00/73/456100073.db2.gz OENMQEXNBKDQJX-UHFFFAOYSA-N 0 3 334.460 3.161 40 0 EGABHN Cc1nc(C)c(CN2CCC[C@@]3(CCC(=O)N3CCF)CC2)s1 ZINC000585100587 459823131 /nfs/dbraw/zinc/82/31/31/459823131.db2.gz OUFFAQAEDOICGQ-QGZVFWFLSA-N 0 3 339.480 3.077 40 0 EGABHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCc2ccccc21 ZINC000104263804 219367176 /nfs/dbraw/zinc/36/71/76/219367176.db2.gz BEYLGMVMKIKXMS-CTNGQTDRSA-N 0 3 334.463 3.497 40 0 EGABHN COc1ccc(COC[C@@H](O)CN2CCc3sccc3[C@H]2C)cc1 ZINC000037458329 213148391 /nfs/dbraw/zinc/14/83/91/213148391.db2.gz JTPCBFNAABBCTR-ZBFHGGJFSA-N 0 3 347.480 3.254 40 0 EGABHN Cc1nccn1-c1nccnc1C1CCN(Cc2ccccc2)CC1 ZINC000072350482 216161530 /nfs/dbraw/zinc/16/15/30/216161530.db2.gz XNQZFTZKKPBGHQ-UHFFFAOYSA-N 0 3 333.439 3.350 40 0 EGABHN Cc1cccc(CN2CCC[C@@H]2c2cc(CCC(N)=O)cc(C)n2)c1 ZINC000072367127 216172441 /nfs/dbraw/zinc/17/24/41/216172441.db2.gz KNCNEYSBCHNFAX-HXUWFJFHSA-N 0 3 337.467 3.453 40 0 EGABHN Cc1nccn1-c1cccc([C@@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000072379053 216181064 /nfs/dbraw/zinc/18/10/64/216181064.db2.gz YSFTUYYNDGVBFN-QGZVFWFLSA-N 0 3 333.439 3.350 40 0 EGABHN CC(C)(C)[C@H]1CCCC[C@H]1NCc1csc(CS(C)(=O)=O)n1 ZINC000072605839 216281309 /nfs/dbraw/zinc/28/13/09/216281309.db2.gz DOGAMQSUGDQFJK-UONOGXRCSA-N 0 3 344.546 3.382 40 0 EGABHN Cc1ccc(F)cc1C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000073573964 216397672 /nfs/dbraw/zinc/39/76/72/216397672.db2.gz RUSFYAFDGSPCFG-UHFFFAOYSA-N 0 3 330.403 3.464 40 0 EGABHN COc1ccc(C)cc1[C@H](C)NC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000230192444 242247526 /nfs/dbraw/zinc/24/75/26/242247526.db2.gz QNVQELPUXOIYMT-LZLYRXPVSA-N 0 3 345.487 3.190 40 0 EGABHN Cc1cc(C)nc([N-]c2cncc(C3CC[NH+](CC4CC4)CC3)n2)n1 ZINC000257264552 244359639 /nfs/dbraw/zinc/35/96/39/244359639.db2.gz LUYWCELCWYTKTE-UHFFFAOYSA-N 0 3 338.459 3.216 40 0 EGABHN COc1cc(CN[C@@H]2COC[C@H]2c2ccc(F)cc2)cc(OC)c1 ZINC000019595153 212049824 /nfs/dbraw/zinc/04/98/24/212049824.db2.gz MUNDTQQPPSVXDG-RBUKOAKNSA-N 0 3 331.387 3.115 40 0 EGABHN Cc1nn(C(C)C)c(C)c1CN(CCN(C)C)Cc1cccnc1 ZINC000019577420 212045900 /nfs/dbraw/zinc/04/59/00/212045900.db2.gz UYAHSBBWRKRWGC-UHFFFAOYSA-N 0 3 329.492 3.040 40 0 EGABHN CCN1CCC(N(C(=O)c2cc(C)no2)c2ccccc2OC)CC1 ZINC000078449441 217054459 /nfs/dbraw/zinc/05/44/59/217054459.db2.gz IFIJCIXNAMFRIR-UHFFFAOYSA-N 0 3 343.427 3.123 40 0 EGABHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2cccnc2)CC1 ZINC000078553371 217074740 /nfs/dbraw/zinc/07/47/40/217074740.db2.gz YEOKPVFJLSAFMU-INIZCTEOSA-N 0 3 342.462 3.213 40 0 EGABHN Cn1cc(CNCc2cccc(OC(F)F)c2)c(-c2cccnc2)n1 ZINC000078553452 217074761 /nfs/dbraw/zinc/07/47/61/217074761.db2.gz YKNJWOKASATFTN-UHFFFAOYSA-N 0 3 344.365 3.373 40 0 EGABHN C[C@@H](NC1(CNC(=O)c2ccsc2)CCOCC1)c1ccccc1 ZINC000079096418 217191262 /nfs/dbraw/zinc/19/12/62/217191262.db2.gz LKQRTQSKMULRMX-OAHLLOKOSA-N 0 3 344.480 3.378 40 0 EGABHN C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000080086826 217278143 /nfs/dbraw/zinc/27/81/43/217278143.db2.gz OWQNMEZCTUYOIS-GJZGRUSLSA-N 0 3 346.446 3.168 40 0 EGABHN O=C(c1cccs1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000264197869 246169929 /nfs/dbraw/zinc/16/99/29/246169929.db2.gz PSJSRCSWNWJNLC-UHFFFAOYSA-N 0 3 326.465 3.411 40 0 EGABHN Cc1ccc([C@H](O)CN2CCC(O)(c3ccccc3F)CC2)cc1 ZINC000012292164 211335538 /nfs/dbraw/zinc/33/55/38/211335538.db2.gz CFRDMUGCMHWEEH-LJQANCHMSA-N 0 3 329.415 3.151 40 0 EGABHN COc1cccc([C@@H](O)CN2CCC(O)(c3cccc(C)c3)CC2)c1 ZINC000012292544 211335325 /nfs/dbraw/zinc/33/53/25/211335325.db2.gz YVKUUAXJNSGHPW-FQEVSTJZSA-N 0 3 341.451 3.021 40 0 EGABHN C[C@@H](NCc1ccc(OCCO)cc1)c1ccc2c(c1)OCCCO2 ZINC000012238319 211328333 /nfs/dbraw/zinc/32/83/33/211328333.db2.gz OQNSEWRJXJDPFQ-OAHLLOKOSA-N 0 3 343.423 3.070 40 0 EGABHN CC[C@@H](CN1CCCCC1)NC(=O)C1(c2ccccc2)CCOCC1 ZINC000012239815 211328102 /nfs/dbraw/zinc/32/81/02/211328102.db2.gz KLMPZFQNKCLOKB-IBGZPJMESA-N 0 3 344.499 3.116 40 0 EGABHN CC(=O)N1CC[C@H](CN(C)Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000092101834 218119219 /nfs/dbraw/zinc/11/92/19/218119219.db2.gz RPAWJIGAGCQHJT-CYBMUJFWSA-N 0 3 346.805 3.242 40 0 EGABHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)CC2CCSCC2)C1 ZINC000095417001 218356781 /nfs/dbraw/zinc/35/67/81/218356781.db2.gz ZYPNJWXWCYLFHU-SFHVURJKSA-N 0 3 332.513 3.253 40 0 EGABHN CCn1nccc1CNC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000095435687 218378670 /nfs/dbraw/zinc/37/86/70/218378670.db2.gz MVABQPQCVKVHSM-UHFFFAOYSA-N 0 3 327.428 3.233 40 0 EGABHN O=C(NCC1CCN(Cc2ccccc2F)CC1)[C@H]1CCCS1 ZINC000096436395 218815418 /nfs/dbraw/zinc/81/54/18/218815418.db2.gz QQKHZCBOVXOPON-QGZVFWFLSA-N 0 3 336.476 3.050 40 0 EGABHN CCc1onc(C)c1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000119282647 221284434 /nfs/dbraw/zinc/28/44/34/221284434.db2.gz YUHVTNHFIVRUPX-XJKSGUPXSA-N 0 3 342.443 3.187 40 0 EGABHN CO[C@@H]1CN[C@@H](C(=O)Nc2cccc(CSC3CCCC3)c2)C1 ZINC000187843201 533484972 /nfs/dbraw/zinc/48/49/72/533484972.db2.gz DJQAUOFCFVSTPT-DOTOQJQBSA-N 0 3 334.485 3.178 40 0 EGABHN CC(=O)N1CCCc2cc([C@H](O)CN(C)Cc3ccccc3)ccc21 ZINC000036741195 132392814 /nfs/dbraw/zinc/39/28/14/132392814.db2.gz BYWIDFVDPXZISY-OAQYLSRUSA-N 0 3 338.451 3.151 40 0 EGABHN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1C[C@H](N)Cc2ccccc21 ZINC000261703542 274275357 /nfs/dbraw/zinc/27/53/57/274275357.db2.gz KHJODUOPQTVFKD-IUODEOHRSA-N 0 3 330.815 3.024 40 0 EGABHN CCN(CC)CCOC(=O)[C@@](O)(c1ccccc1)[C@@H]1C=CCCC1 ZINC000001710997 276099609 /nfs/dbraw/zinc/09/96/09/276099609.db2.gz HECLTPBVEVCPQT-UYAOXDASSA-N 0 3 331.456 3.116 40 0 EGABHN CN(C)CCN(Cc1ccccn1)Cc1cc2c(cc1Cl)OCO2 ZINC000022913947 289148874 /nfs/dbraw/zinc/14/88/74/289148874.db2.gz GWTJLWYRNMEPFE-UHFFFAOYSA-N 0 3 347.846 3.028 40 0 EGABHN CCN(C(=O)Nc1ccncc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000097096232 323214694 /nfs/dbraw/zinc/21/46/94/323214694.db2.gz GBCWCJGPWLSZRV-MRXNPFEDSA-N 0 3 342.418 3.349 40 0 EGABHN O=C(CCc1cncc(F)c1)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000097102291 323214719 /nfs/dbraw/zinc/21/47/19/323214719.db2.gz LYHLFOMCWQWRNA-SFHVURJKSA-N 0 3 339.414 3.165 40 0 EGABHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C/C=C/c1ccc(F)cc1 ZINC000119479788 323216592 /nfs/dbraw/zinc/21/65/92/323216592.db2.gz MJBWKJGZBBBVHL-RDFMZFSFSA-N 0 3 348.443 3.179 40 0 EGABHN C[C@H](NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1cc2ccccc2s1 ZINC000188302476 323762875 /nfs/dbraw/zinc/76/28/75/323762875.db2.gz SPTMVSHULUINCB-AEGPPILISA-N 0 3 332.469 3.188 40 0 EGABHN Cc1cc(C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)ns1 ZINC000390833508 324283259 /nfs/dbraw/zinc/28/32/59/324283259.db2.gz IOAFIWJVCFTLLU-UHFFFAOYSA-N 0 3 339.848 3.298 40 0 EGABHN CC1(C)CCCN1CCOC(=O)[C@@](O)(c1ccccc1)C1CCCC1 ZINC000002011873 452682640 /nfs/dbraw/zinc/68/26/40/452682640.db2.gz OZMLXLPGCQFBKZ-OAQYLSRUSA-N 0 3 345.483 3.482 40 0 EGABHN COc1cc(OC)c(C(=O)CCCN2CCC[C@@H](C)C2)c(OC)c1 ZINC000002016061 452683585 /nfs/dbraw/zinc/68/35/85/452683585.db2.gz KMXVFCRYIUCLRS-CQSZACIVSA-N 0 3 335.444 3.407 40 0 in-man EGABHN COc1ccc([C@H](CNc2ncnc3sccc32)N(C)C)cc1 ZINC000008063235 453155869 /nfs/dbraw/zinc/15/58/69/453155869.db2.gz NCKGMZCMILBDJA-HNNXBMFYSA-N 0 3 328.441 3.415 40 0 EGABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)Cc1ccccc1C ZINC000010544233 453295415 /nfs/dbraw/zinc/29/54/15/453295415.db2.gz GQCQGALMXPLVPU-SFHVURJKSA-N 0 3 338.517 3.069 40 0 EGABHN O[C@H](CN1CCC[C@@](O)(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000012251842 453352280 /nfs/dbraw/zinc/35/22/80/453352280.db2.gz FEYIPQUQFKKAGF-UXHICEINSA-N 0 3 347.405 3.372 40 0 EGABHN Cc1cccc(CN(CCCN2CCOCC2)Cc2cccnc2)c1 ZINC000013569029 453471780 /nfs/dbraw/zinc/47/17/80/453471780.db2.gz XWLWWCXOAWUIFK-UHFFFAOYSA-N 0 3 339.483 3.115 40 0 EGABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)Cc1cccc(C)c1 ZINC000013632103 453476573 /nfs/dbraw/zinc/47/65/73/453476573.db2.gz GOBTYRVSKNMOGR-GOSISDBHSA-N 0 3 338.517 3.069 40 0 EGABHN CC(=O)N1CC[C@H]2[C@H]1CCCCCN2Cc1c[nH]nc1C(C)(C)C ZINC000019712327 453658985 /nfs/dbraw/zinc/65/89/85/453658985.db2.gz SBWVLPXNGSNUCH-DLBZAZTESA-N 0 3 332.492 3.073 40 0 EGABHN CC[C@H](CNC(=O)c1cccc(OC)c1)N1CCc2ccccc2C1 ZINC000029909222 453832593 /nfs/dbraw/zinc/83/25/93/453832593.db2.gz HMRSOEDWUHJEBK-LJQANCHMSA-N 0 3 338.451 3.262 40 0 EGABHN COc1ccc([C@H](CO)N(C)C[C@@H](O)c2cccc(Cl)c2)cc1 ZINC000075742406 453923767 /nfs/dbraw/zinc/92/37/67/453923767.db2.gz YVOCTSKKMBDQMR-ZWKOTPCHSA-N 0 3 335.831 3.047 40 0 EGABHN Cc1cnc(NC(=O)NCC(C)(C)N2CCc3ccccc3C2)s1 ZINC000075995873 453946000 /nfs/dbraw/zinc/94/60/00/453946000.db2.gz WTHWNSOUURFBHL-UHFFFAOYSA-N 0 3 344.484 3.410 40 0 EGABHN CCOc1cc([C@H](N)c2n[nH]c(-c3ccc(C)cc3)n2)ccc1OC ZINC000095534456 454230273 /nfs/dbraw/zinc/23/02/73/454230273.db2.gz IDMXVPYMJUNPGJ-KRWDZBQOSA-N 0 3 338.411 3.236 40 0 EGABHN Fc1ccc(CN2CC[C@@]3(C[C@@H](Nc4ncccc4F)CO3)C2)cc1 ZINC000096047642 454270186 /nfs/dbraw/zinc/27/01/86/454270186.db2.gz VFYGVLVBNRIIJU-VQIMIIECSA-N 0 3 345.393 3.205 40 0 EGABHN Cc1nc(CN2C[C@@H]3CN(Cc4cccc(F)c4)C[C@H]3C2)cs1 ZINC000096053869 454274847 /nfs/dbraw/zinc/27/48/47/454274847.db2.gz KOGNKYBZULBAMP-HOTGVXAUSA-N 0 3 331.460 3.154 40 0 EGABHN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(Cc1cccs1)C2 ZINC000096058498 454276876 /nfs/dbraw/zinc/27/68/76/454276876.db2.gz XSVAPENLZWNIQM-BBRMVZONSA-N 0 3 330.428 3.234 40 0 EGABHN c1cc(CN2CC[C@@H]3OCCC[C@]3(COCc3ccncc3)C2)co1 ZINC000096065137 454279049 /nfs/dbraw/zinc/27/90/49/454279049.db2.gz LWRLQBVZLISGFY-VQTJNVASSA-N 0 3 342.439 3.263 40 0 EGABHN Cc1noc(C)c1CN1CC[C@H]2CN(C(=O)C3CCCCC3)C[C@H]2C1 ZINC000096081451 454279442 /nfs/dbraw/zinc/27/94/42/454279442.db2.gz CDNPBMJEFFXOIG-ZWKOTPCHSA-N 0 3 345.487 3.152 40 0 EGABHN c1cc(CN2CCC3(C[C@@H](OCc4ccncc4)CO3)CC2)co1 ZINC000096106816 454284884 /nfs/dbraw/zinc/28/48/84/454284884.db2.gz XEQMLVJDMYHCRZ-GOSISDBHSA-N 0 3 328.412 3.015 40 0 EGABHN C[C@@H]1CN2CCC[C@@H]2CN1Cc1coc2ccc(Cl)cc2c1=O ZINC000072324639 454294966 /nfs/dbraw/zinc/29/49/66/454294966.db2.gz CLYIEFQKKICHAM-IUODEOHRSA-N 0 3 332.831 3.115 40 0 EGABHN c1csc(CN2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)c1 ZINC000096186159 454300229 /nfs/dbraw/zinc/30/02/29/454300229.db2.gz NUWAYRMGHUSRBV-WDSOQIARSA-N 0 3 344.480 3.482 40 0 EGABHN Cc1cccc(C(=O)N2Cc3ccccc3C3(CCN(C)CC3)C2)n1 ZINC000096242394 454311092 /nfs/dbraw/zinc/31/10/92/454311092.db2.gz ZLGYONXALPIIID-UHFFFAOYSA-N 0 3 335.451 3.009 40 0 EGABHN Cc1cncc(C(=O)N2Cc3ccccc3C3(CCN(C)CC3)C2)c1 ZINC000096242395 454311990 /nfs/dbraw/zinc/31/19/90/454311990.db2.gz CNEDSPHPVXARJD-UHFFFAOYSA-N 0 3 335.451 3.009 40 0 EGABHN COCCN1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1 ZINC000096267261 454314376 /nfs/dbraw/zinc/31/43/76/454314376.db2.gz HTZAXXFLSYHHAC-UHFFFAOYSA-N 0 3 336.439 3.222 40 0 EGABHN c1csc(CNC[C@H]2Cn3c(-c4ccccc4)cnc3CO2)c1 ZINC000096296451 454317429 /nfs/dbraw/zinc/31/74/29/454317429.db2.gz UWGKVTKOJWVIOB-HNNXBMFYSA-N 0 3 325.437 3.300 40 0 biogenic,in-vitro EGABHN O=c1[nH]c(CCN(Cc2cccc(O)c2)CC2CC2)nc2ccccc21 ZINC000096405949 454324349 /nfs/dbraw/zinc/32/43/49/454324349.db2.gz VJSJSPJYLRVFEE-UHFFFAOYSA-N 0 3 349.434 3.083 40 0 EGABHN C[C@H]1C[C@H](N(C)C(=O)Nc2cc(F)cc(N3CCCC3)c2)CCN1C ZINC000096434433 454345596 /nfs/dbraw/zinc/34/55/96/454345596.db2.gz NAAWBLWANQAWPT-WMLDXEAASA-N 0 3 348.466 3.372 40 0 EGABHN CC(=O)Nc1cccc([C@H](C)N[C@H]2CCN(c3ncccc3F)C2)c1 ZINC000096479248 454363650 /nfs/dbraw/zinc/36/36/50/454363650.db2.gz ALAGLLHCBOENEU-GUYCJALGSA-N 0 3 342.418 3.109 40 0 EGABHN CCOc1cccc2cc([C@@H](C)N[C@@H]3CCc4nc(C)nn4C3)oc21 ZINC000096493383 454369985 /nfs/dbraw/zinc/36/99/85/454369985.db2.gz ZMXBBGGDQWLBON-IUODEOHRSA-N 0 3 340.427 3.397 40 0 EGABHN Clc1cc(Cl)cc(CN2CCC(NCc3cc[nH]n3)CC2)c1 ZINC000096502328 454372649 /nfs/dbraw/zinc/37/26/49/454372649.db2.gz NIIHDZLXBGCFGW-UHFFFAOYSA-N 0 3 339.270 3.471 40 0 EGABHN COc1ccc(-c2nnc([C@H]3CCN(Cc4ccco4)C3)o2)cc1 ZINC000049170112 454537199 /nfs/dbraw/zinc/53/71/99/454537199.db2.gz VANYECZHGYORLO-AWEZNQCLSA-N 0 3 325.368 3.328 40 0 biogenic,in-vitro EGABHN O=C1N(CC2CCC2)CC[C@@]12CCCN(Cc1ccncc1)CC2 ZINC000108528585 454801340 /nfs/dbraw/zinc/80/13/40/454801340.db2.gz MRGNBDJYCHKBPJ-FQEVSTJZSA-N 0 3 327.472 3.086 40 0 EGABHN C[C@@H]1CCCCN1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000252478579 455807075 /nfs/dbraw/zinc/80/70/75/455807075.db2.gz APVCAUWQWWYFMX-MRXNPFEDSA-N 0 3 345.487 3.244 40 0 EGABHN Cc1nccnc1[C@H](C)NC1CCN(Cc2ccccc2F)CC1 ZINC000252498532 455815231 /nfs/dbraw/zinc/81/52/31/455815231.db2.gz RECHJDNQKBOUMM-HNNXBMFYSA-N 0 3 328.435 3.239 40 0 EGABHN OCCn1nccc1C1CCN(CCSC2CCCCC2)CC1 ZINC000252511118 455818242 /nfs/dbraw/zinc/81/82/42/455818242.db2.gz ZULYPSGNGRTMHH-UHFFFAOYSA-N 0 3 337.533 3.121 40 0 EGABHN COC(=O)N1CCC([C@@H](C)NCc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000194424660 455840392 /nfs/dbraw/zinc/84/03/92/455840392.db2.gz FUCIXIUGVAQFGS-CQSZACIVSA-N 0 3 342.443 3.033 40 0 EGABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)c3cc(CC(C)C)no3)C2)c1 ZINC000257303471 455886269 /nfs/dbraw/zinc/88/62/69/455886269.db2.gz SHJKBRWNAUKYIC-CQSZACIVSA-N 0 3 342.443 3.248 40 0 EGABHN Cn1cc(CN2CCC3(CO[C@@H](Cc4ccccc4F)C3)CC2)cn1 ZINC000257327348 455892637 /nfs/dbraw/zinc/89/26/37/455892637.db2.gz XBAFGUCXRCJVTC-SFHVURJKSA-N 0 3 343.446 3.173 40 0 EGABHN CCC(=O)N1CC[C@H](N[C@H](CN2CCC(C)CC2)c2cccs2)C1 ZINC000195560748 455985138 /nfs/dbraw/zinc/98/51/38/455985138.db2.gz REECEDYQQWGGIK-DLBZAZTESA-N 0 3 349.544 3.122 40 0 EGABHN CC(=O)N[C@@H](C)C1CCN(Cc2ccc3nc(C)ccc3c2)CC1 ZINC000225481916 456087596 /nfs/dbraw/zinc/08/75/96/456087596.db2.gz UPTVHPAHYRGQQF-HNNXBMFYSA-N 0 3 325.456 3.280 40 0 EGABHN COC(C)(C)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225599160 456096509 /nfs/dbraw/zinc/09/65/09/456096509.db2.gz PJMOUFFKAXSSAE-UHFFFAOYSA-N 0 3 334.460 3.161 40 0 EGABHN C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](F)[C@@]2(CCN(Cc3ccsc3)C2)C1 ZINC000306144663 456570301 /nfs/dbraw/zinc/57/03/01/456570301.db2.gz ZLKROWIWYVFQCQ-NOVWEMISSA-N 0 3 336.476 3.167 40 0 EGABHN Cc1ccc(C(=O)N2CCC[C@@]3(CCN3C[C@H]3CCCO3)C2)c(C)c1 ZINC000585102048 459824103 /nfs/dbraw/zinc/82/41/03/459824103.db2.gz OPLGIKQLYLIBCZ-WIYYLYMNSA-N 0 3 342.483 3.163 40 0 EGABHN CO[C@H]1CCN(Cc2c(C)n[nH]c2C)C[C@H]1Cc1ccccc1F ZINC000585275904 459832595 /nfs/dbraw/zinc/83/25/95/459832595.db2.gz GJZZOGDRZUWNAF-APWZRJJASA-N 0 3 331.435 3.245 40 0 EGABHN CC(C)NCC(=O)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000659386675 461327071 /nfs/dbraw/zinc/32/70/71/461327071.db2.gz PZBVPGIFKRBGLH-HNNXBMFYSA-N 0 3 339.277 3.331 40 0 EGABHN Cc1ccc2cc(CN3CCC[C@@H](c4nnc5n4CCC5)C3)ccc2n1 ZINC000187193453 534466794 /nfs/dbraw/zinc/46/67/94/534466794.db2.gz CCSPGGPLBMTPMO-GOSISDBHSA-N 0 3 347.466 3.461 40 0 EGABHN c1cc(N2CCCC2)cn2nc([C@H]3CCCN(C4CCC4)C3)nc12 ZINC000306127345 547460031 /nfs/dbraw/zinc/46/00/31/547460031.db2.gz FWKQIEPVSUOWGQ-HNNXBMFYSA-N 0 3 325.460 3.061 40 0 EGABHN COc1ccc(C)cc1CN1C[C@@H]2CC[C@](O)(c3ccccn3)[C@@H]2C1 ZINC000036734777 213114999 /nfs/dbraw/zinc/11/49/99/213114999.db2.gz KEIJZPQCLZFUQA-YRISNDGFSA-N 0 3 338.451 3.128 40 0 EGABHN Cc1ccc(CN2CCC(c3cccc(CCC(N)=O)n3)CC2)cc1 ZINC000072367116 216173270 /nfs/dbraw/zinc/17/32/70/216173270.db2.gz WQUBNOJWWVCNLF-UHFFFAOYSA-N 0 3 337.467 3.188 40 0 EGABHN Cc1cc(CCC(=O)Nc2ncccc2C)cc([C@@H]2CCCN2C)n1 ZINC000072366965 216173440 /nfs/dbraw/zinc/17/34/40/216173440.db2.gz CJOONPBNDULMMY-SFHVURJKSA-N 0 3 338.455 3.431 40 0 EGABHN Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCN(C(C)C)C3)n2)n1 ZINC000072382389 216182692 /nfs/dbraw/zinc/18/26/92/216182692.db2.gz XXIVXUJICBYFMZ-OAHLLOKOSA-N 0 3 326.448 3.133 40 0 EGABHN O=C(CC1(N2CCOCC2)CCCC1)Nc1ccc2[nH]ccc2c1 ZINC000072859397 216318822 /nfs/dbraw/zinc/31/88/22/216318822.db2.gz HLIACPINJZRVTC-UHFFFAOYSA-N 0 3 327.428 3.142 40 0 EGABHN CCc1ccc(-c2ccc(CNC[C@@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000072921761 216328650 /nfs/dbraw/zinc/32/86/50/216328650.db2.gz SOGLEOVOLYPRLG-HNNXBMFYSA-N 0 3 333.453 3.033 40 0 EGABHN CCn1cncc1CN(Cc1cccs1)C[C@@H]1CCCN1CC ZINC000023247886 212363579 /nfs/dbraw/zinc/36/35/79/212363579.db2.gz YPQOSTXSFYRXDM-INIZCTEOSA-N 0 3 332.517 3.451 40 0 EGABHN COCCN1CCC(CNC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000023127941 212352588 /nfs/dbraw/zinc/35/25/88/212352588.db2.gz PRSVYVATIBVLLZ-UHFFFAOYSA-N 0 3 332.488 3.072 40 0 EGABHN C[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)c1nccs1 ZINC000195564744 241012542 /nfs/dbraw/zinc/01/25/42/241012542.db2.gz GFABNTBMLOOSDT-OFQRWUPVSA-N 0 3 344.484 3.024 40 0 EGABHN Cc1ccc(CC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)cn1 ZINC000225791055 242039109 /nfs/dbraw/zinc/03/91/09/242039109.db2.gz BFCWYKOLRLIJTG-KRWDZBQOSA-N 0 3 331.847 3.005 40 0 EGABHN CN1C[C@H](CNC(=O)Nc2cccc(F)c2)[C@H](c2cccs2)C1 ZINC000230134436 242237582 /nfs/dbraw/zinc/23/75/82/242237582.db2.gz FVTHARXFFOEOLI-SWLSCSKDSA-N 0 3 333.432 3.354 40 0 EGABHN Cc1noc(C)c1-c1ccc([C@H]2CCCN(Cc3cnc[nH]3)C2)nc1 ZINC000257206134 244134512 /nfs/dbraw/zinc/13/45/12/244134512.db2.gz BCAFZROKBGMOOM-INIZCTEOSA-N 0 3 337.427 3.456 40 0 EGABHN Cc1ccsc1C(=O)N1CC[C@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257230427 244209356 /nfs/dbraw/zinc/20/93/56/244209356.db2.gz GCGRFKGHBQZANS-AWEZNQCLSA-N 0 3 329.469 3.456 40 0 EGABHN Cc1cccc(Nc2nccnc2[C@H]2CCCN(Cc3cnc[nH]3)C2)n1 ZINC000257234354 244222387 /nfs/dbraw/zinc/22/23/87/244222387.db2.gz GTDWKRHDNQNSTG-HNNXBMFYSA-N 0 3 349.442 3.026 40 0 EGABHN O=C(c1cc([C@H]2CCCN(Cc3ccccc3)C2)no1)N1CCCC1 ZINC000019371968 212022709 /nfs/dbraw/zinc/02/27/09/212022709.db2.gz RKDCRMBGEAYESI-KRWDZBQOSA-N 0 3 339.439 3.290 40 0 EGABHN CC1(C)Cc2cc(CNCc3ccc(-n4cccn4)nc3)ccc2O1 ZINC000078552312 217074113 /nfs/dbraw/zinc/07/41/13/217074113.db2.gz QPOINDQUBAGHNH-UHFFFAOYSA-N 0 3 334.423 3.271 40 0 EGABHN CC(=O)Nc1ccc(C(=O)Nc2cnccc2N2CCCCC2)cc1 ZINC000079041158 217180091 /nfs/dbraw/zinc/18/00/91/217180091.db2.gz WLHCZCXSINVZOC-UHFFFAOYSA-N 0 3 338.411 3.283 40 0 EGABHN CCn1cc(CN2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)c(C)n1 ZINC000012325246 211349999 /nfs/dbraw/zinc/34/99/99/211349999.db2.gz OFEUCGCZESCXQV-YOFSQIOKSA-N 0 3 343.446 3.365 40 0 EGABHN COc1ccc([C@@H](O)CN2CCC(O)(c3cccc(C)c3)CC2)cc1 ZINC000012292495 211335257 /nfs/dbraw/zinc/33/52/57/211335257.db2.gz VZCNBHFQKGKKCE-FQEVSTJZSA-N 0 3 341.451 3.021 40 0 EGABHN OC1(c2ccccn2)[C@@H]2CCC[C@H]1CN(Cc1ccccc1F)C2 ZINC000012135050 211301434 /nfs/dbraw/zinc/30/14/34/211301434.db2.gz KBHIDDWWSMMULC-XEWABKELSA-N 0 3 326.415 3.340 40 0 EGABHN CN(CC1=Cc2cc(Br)ccc2OC1)C[C@@H]1CCOC1 ZINC000093840202 218252461 /nfs/dbraw/zinc/25/24/61/218252461.db2.gz AJMFJUWBZORUFA-LBPRGKRZSA-N 0 3 338.245 3.193 40 0 EGABHN c1ccc(C2(NCc3ccc(N4CCCC4)nc3)CCOCC2)cc1 ZINC000095412262 218349985 /nfs/dbraw/zinc/34/99/85/218349985.db2.gz QNHIOGLFDKWVBZ-UHFFFAOYSA-N 0 3 337.467 3.477 40 0 EGABHN CCN1CC[C@@H](SC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000005047899 210373831 /nfs/dbraw/zinc/37/38/31/210373831.db2.gz CRAZPPVOJPYVLH-GOSISDBHSA-N 0 3 341.476 3.277 40 0 EGABHN CC(C)C[C@H](N)C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000236652152 266210647 /nfs/dbraw/zinc/21/06/47/266210647.db2.gz SDNRIAXENXTWCM-INIZCTEOSA-N 0 3 336.863 3.135 40 0 EGABHN c1ccc2c(c1)nc1n2[C@@H](CNCc2cnc3ccccc3c2)COC1 ZINC000096112705 275071641 /nfs/dbraw/zinc/07/16/41/275071641.db2.gz HQDSKNMUHCZHSO-KRWDZBQOSA-N 0 3 344.418 3.446 40 0 biogenic,in-vitro EGABHN CCC[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccccc1 ZINC000084921209 276051076 /nfs/dbraw/zinc/05/10/76/276051076.db2.gz GIMFMMZYZOBIBJ-KSZLIROESA-N 0 3 336.391 3.165 40 0 EGABHN COc1ccc2c(c1OC)[C@@]1(CCN(C)C)CC(=O)CC[C@@H]1C=C2 ZINC000001560174 295277841 /nfs/dbraw/zinc/27/78/41/295277841.db2.gz ZZYRTKUDKQIIKW-YWZLYKJASA-N 0 3 329.440 3.289 40 0 EGABHN Cc1cc(NC(=O)NCC(C)(C)N2CCc3ccccc3C2)ccn1 ZINC000179823983 301353529 /nfs/dbraw/zinc/35/35/29/301353529.db2.gz UDBDNLUXCOQJEA-UHFFFAOYSA-N 0 3 338.455 3.348 40 0 EGABHN Cn1cc(C[C@H]2CCN(Cc3c(C4CC4)nc4sccn34)C2)cn1 ZINC000097230919 323215165 /nfs/dbraw/zinc/21/51/65/323215165.db2.gz IPSZZWAWAUJVDK-CYBMUJFWSA-N 0 3 341.484 3.071 40 0 EGABHN Cc1ccc(CN2CCC[C@]3(C2)CNC(=O)c2ccccc2O3)cc1 ZINC000019210226 453654967 /nfs/dbraw/zinc/65/49/67/453654967.db2.gz BAQGOMLNFKFLGJ-OAQYLSRUSA-N 0 3 336.435 3.152 40 0 EGABHN O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)CN2Cc1ccncc1 ZINC000019712621 453658240 /nfs/dbraw/zinc/65/82/40/453658240.db2.gz XFFMVMUDVZJKOL-ZVDOUQERSA-N 0 3 335.451 3.108 40 0 EGABHN CC[C@@H](NC(=O)N1CC[C@H](N2CCCC2)C1)c1cc(F)ccc1F ZINC000077873295 454164933 /nfs/dbraw/zinc/16/49/33/454164933.db2.gz XESIRCUUUJEKJY-WMLDXEAASA-N 0 3 337.414 3.296 40 0 EGABHN O=C1CCOC[C@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2Cc1ccccc1 ZINC000095951718 454236229 /nfs/dbraw/zinc/23/62/29/454236229.db2.gz IBYGCEXYWLDSTD-ZJOUEHCJSA-N 0 3 339.410 3.399 40 0 EGABHN O=C1CCOC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2Cc1ccccc1 ZINC000095951719 454236560 /nfs/dbraw/zinc/23/65/60/454236560.db2.gz IBYGCEXYWLDSTD-ZVDOUQERSA-N 0 3 339.410 3.399 40 0 EGABHN Cc1ccc(CN2CC[C@@]3(C2)CCCN(c2ncccn2)C3)s1 ZINC000096047153 454269462 /nfs/dbraw/zinc/26/94/62/454269462.db2.gz QPHAXXMFGXZOMX-GOSISDBHSA-N 0 3 328.485 3.339 40 0 EGABHN Cc1ccc(CN2CC[C@]3(C2)CCCN(c2ncc(F)cn2)C3)s1 ZINC000096047180 454269601 /nfs/dbraw/zinc/26/96/01/454269601.db2.gz UTUSWPOXYLWIRB-SFHVURJKSA-N 0 3 346.475 3.478 40 0 EGABHN c1csc(CN2CCC3(CC2)CCN(Cc2ccncc2)CC3)n1 ZINC000096047220 454269683 /nfs/dbraw/zinc/26/96/83/454269683.db2.gz KOVGNYWNQDEXLV-UHFFFAOYSA-N 0 3 342.512 3.416 40 0 EGABHN CC(C)NC(=O)C[C@H]1COC2(C1)CCN(Cc1ccsc1)CC2 ZINC000096048160 454271740 /nfs/dbraw/zinc/27/17/40/454271740.db2.gz UQXOIHZQJJYHQI-MRXNPFEDSA-N 0 3 336.501 3.034 40 0 EGABHN c1csc(CN2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)c1 ZINC000096048234 454271748 /nfs/dbraw/zinc/27/17/48/454271748.db2.gz OWTUZEKXYHYKHL-AEFFLSMTSA-N 0 3 330.453 3.346 40 0 EGABHN O=C(c1ccsc1)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096053886 454274944 /nfs/dbraw/zinc/27/49/44/454274944.db2.gz RWWHNULFKJKZRA-HOTGVXAUSA-N 0 3 330.428 3.091 40 0 EGABHN c1cc(CN2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)co1 ZINC000096065147 454278093 /nfs/dbraw/zinc/27/80/93/454278093.db2.gz QUVPMDXGNAYNCP-WOJBJXKFSA-N 0 3 342.439 3.263 40 0 EGABHN c1ccc(CN2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)cc1 ZINC000096106751 454284801 /nfs/dbraw/zinc/28/48/01/454284801.db2.gz RJBFTYGMWHVDIW-HXUWFJFHSA-N 0 3 338.451 3.422 40 0 EGABHN c1cc(CN2CC[C@H]3OCC[C@@]3(COCc3cccnc3)C2)cs1 ZINC000096110395 454286275 /nfs/dbraw/zinc/28/62/75/454286275.db2.gz FWAMKXALOIVAQZ-MOPGFXCFSA-N 0 3 344.480 3.341 40 0 EGABHN O=C1C[C@H](c2ccccc2)C2(CCN(Cc3cccs3)CC2)N1 ZINC000096199580 454301999 /nfs/dbraw/zinc/30/19/99/454301999.db2.gz NMZIDTQDQVYXCI-QGZVFWFLSA-N 0 3 326.465 3.386 40 0 EGABHN CN(Cc1cccnc1)C[C@@H]1CC12CCN(Cc1nccs1)CC2 ZINC000096238318 454310141 /nfs/dbraw/zinc/31/01/41/454310141.db2.gz YFOJHPXRILZTBA-KRWDZBQOSA-N 0 3 342.512 3.272 40 0 EGABHN Cc1ccc(CN2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)o1 ZINC000096244833 454311010 /nfs/dbraw/zinc/31/10/10/454311010.db2.gz CEFVYXYBTXNHLX-OAQYLSRUSA-N 0 3 336.435 3.488 40 0 EGABHN CN1CCC2(CC1)CN(C(=O)NC1CCCC1)Cc1ccccc12 ZINC000096242404 454311117 /nfs/dbraw/zinc/31/11/17/454311117.db2.gz WOBUCNQEPIJHQY-UHFFFAOYSA-N 0 3 327.472 3.118 40 0 EGABHN CCN1CCCN(C(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)CC1 ZINC000096426459 454339430 /nfs/dbraw/zinc/33/94/30/454339430.db2.gz AGCRRWPSFMAPGT-UHFFFAOYSA-N 0 3 345.487 3.147 40 0 EGABHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccnc(Cl)c1 ZINC000096432967 454343193 /nfs/dbraw/zinc/34/31/93/454343193.db2.gz FLVYHXOOYNCOTP-INIZCTEOSA-N 0 3 343.858 3.329 40 0 EGABHN COc1cc(OC)cc(N2CC[C@@H](NCc3sc(C)nc3C)C2)c1 ZINC000096449341 454355394 /nfs/dbraw/zinc/35/53/94/454355394.db2.gz HRPQNBSEGPWDTB-CQSZACIVSA-N 0 3 347.484 3.146 40 0 EGABHN C[C@@H](Sc1ccccn1)C(=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000096461104 454359667 /nfs/dbraw/zinc/35/96/67/454359667.db2.gz YINHQZOOPVGNOS-CVEARBPZSA-N 0 3 333.501 3.039 40 0 EGABHN C[C@H](NCCOC1CCCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000096477932 454364409 /nfs/dbraw/zinc/36/44/09/454364409.db2.gz AWIAJLNVNYFFHQ-HNNXBMFYSA-N 0 3 339.501 3.480 40 0 EGABHN Cc1cnccc1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000121311919 454420622 /nfs/dbraw/zinc/42/06/22/454420622.db2.gz AJHSPVGOOBBCNX-UHFFFAOYSA-N 0 3 338.455 3.348 40 0 EGABHN C[C@@H](NCc1ccccc1OCC1CC1)c1cccc(-n2cnnn2)c1 ZINC000097228460 454427020 /nfs/dbraw/zinc/42/70/20/454427020.db2.gz ATDGQHULFSDCMA-OAHLLOKOSA-N 0 3 349.438 3.302 40 0 EGABHN CN1CCC[C@@H](CNC(=O)Nc2nccs2)[C@H]1c1cccs1 ZINC000110633416 454850582 /nfs/dbraw/zinc/85/05/82/454850582.db2.gz AKUGBXNTCMXDRE-AAEUAGOBSA-N 0 3 336.486 3.409 40 0 EGABHN C[C@H](CN[C@@H]1CCCC[C@H]1S(C)(=O)=O)c1ccc(F)cc1F ZINC000245289754 455281921 /nfs/dbraw/zinc/28/19/21/455281921.db2.gz DWTLJCHKNYFOKD-HFBAOOFYSA-N 0 3 331.428 3.014 40 0 EGABHN Cc1occc1CN(C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245638709 455345524 /nfs/dbraw/zinc/34/55/24/455345524.db2.gz KASYQRUZOWDAJO-MSOLQXFVSA-N 0 3 327.428 3.175 40 0 EGABHN O[C@]1(c2cccnc2)CCC[C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]21 ZINC000247849426 455649335 /nfs/dbraw/zinc/64/93/35/455649335.db2.gz GCEVUISTTAMAGY-MDYRTPRTSA-N 0 3 344.405 3.480 40 0 EGABHN O=C(CC1=CCCCC1)N1Cc2ccnn2[C@@H](CN2CCCCC2)C1 ZINC000247868301 455651015 /nfs/dbraw/zinc/65/10/15/455651015.db2.gz PMONBFPTVAELND-IBGZPJMESA-N 0 3 342.487 3.143 40 0 EGABHN CCn1cncc1CN1C[C@@H]2CCC[C@@](O)(c3ccc(C)cc3)[C@H]2C1 ZINC000248095580 455679877 /nfs/dbraw/zinc/67/98/77/455679877.db2.gz NXAYDVCQUNHBFR-DZFGPLHGSA-N 0 3 339.483 3.331 40 0 EGABHN CO[C@@H]1CC[C@H]2N(C(=O)c3ccc(CN(C)C)cc3)CC[C@@]2(C)C1 ZINC000257214509 455879662 /nfs/dbraw/zinc/87/96/62/455879662.db2.gz CMFQPBTWWCTBQB-GGPKGHCWSA-N 0 3 330.472 3.168 40 0 EGABHN Fc1ccc(CN2CCC3(CO[C@@H](Cc4cnccn4)C3)CC2)cc1 ZINC000257327420 455893469 /nfs/dbraw/zinc/89/34/69/455893469.db2.gz XBGKCMBFQAWWBO-IBGZPJMESA-N 0 3 341.430 3.230 40 0 EGABHN CCOc1ccc(C(=O)NCCN2C[C@@H](C)C[C@H](C)C2)cc1OCC ZINC000225064952 456073111 /nfs/dbraw/zinc/07/31/11/456073111.db2.gz WSMFIQVWROSOMM-HOTGVXAUSA-N 0 3 348.487 3.192 40 0 EGABHN CC(C)(C)C[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000225548695 456091864 /nfs/dbraw/zinc/09/18/64/456091864.db2.gz NLYMZKJXYJDHJK-BBRMVZONSA-N 0 3 327.465 3.327 40 0 EGABHN CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225611177 456098704 /nfs/dbraw/zinc/09/87/04/456098704.db2.gz XPYCWHQHEQHOKU-LJQANCHMSA-N 0 3 334.460 3.305 40 0 EGABHN CO[C@](C)(C(=O)Nc1ccc(OCCN2CCCCC2)cc1)C1CC1 ZINC000225643613 456099839 /nfs/dbraw/zinc/09/98/39/456099839.db2.gz MSLBTDXIAQYLTG-FQEVSTJZSA-N 0 3 346.471 3.305 40 0 EGABHN COc1ccccc1CN[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585289582 459833556 /nfs/dbraw/zinc/83/35/56/459833556.db2.gz RVQANXZNDKLQRQ-DFQSSKMNSA-N 0 3 327.424 3.146 40 0 EGABHN COc1cccc(CN[C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)c1 ZINC000585289713 459833747 /nfs/dbraw/zinc/83/37/47/459833747.db2.gz VTXBWGAXKXDFHQ-XUVXKRRUSA-N 0 3 327.424 3.146 40 0 EGABHN O=C(c1ccsc1)N1C[C@]2(CCN(CC3CC3)C2)c2ncccc21 ZINC000306128970 547460075 /nfs/dbraw/zinc/46/00/75/547460075.db2.gz HPVHCXGEXHMSQG-LJQANCHMSA-N 0 3 339.464 3.157 40 0 EGABHN CSc1ncccc1C(=O)NCC1CCN(Cc2ccco2)CC1 ZINC000038583865 213215914 /nfs/dbraw/zinc/21/59/14/213215914.db2.gz YWSJQMITJLBNEG-UHFFFAOYSA-N 0 3 345.468 3.039 40 0 EGABHN CCc1ccc(C(=O)NCCCN2CCc3ccccc3C2)s1 ZINC000036398614 213097840 /nfs/dbraw/zinc/09/78/40/213097840.db2.gz NWWZYCDTGKKANH-UHFFFAOYSA-N 0 3 328.481 3.489 40 0 EGABHN Cc1cnc(NC(=O)CCc2cc(C)nc([C@H]3CCCN3C)c2)s1 ZINC000072366845 216171502 /nfs/dbraw/zinc/17/15/02/216171502.db2.gz AQYGPWZOWCOIJE-MRXNPFEDSA-N 0 3 344.484 3.493 40 0 EGABHN FC(F)(F)c1ccn([C@H]2CCCN(CCO[C@@H]3CCCCO3)C2)n1 ZINC000193116324 240027673 /nfs/dbraw/zinc/02/76/73/240027673.db2.gz HCGTXHGQAXPDMT-DZGCQCFKSA-N 0 3 347.381 3.082 40 0 EGABHN Cc1cnc(CN[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000195558543 241007233 /nfs/dbraw/zinc/00/72/33/241007233.db2.gz SXYFTLWLHQWLEY-CYBMUJFWSA-N 0 3 325.478 3.331 40 0 EGABHN CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)COc1ccc(F)cc1 ZINC000257239157 244239568 /nfs/dbraw/zinc/23/95/68/244239568.db2.gz HOEAWOCPPDGOMU-ZNWBIBPKSA-N 0 3 346.446 3.068 40 0 EGABHN CCc1cc(C(=O)Nc2ccccc2CN2CCCCC2)n(C)n1 ZINC000019522172 212036456 /nfs/dbraw/zinc/03/64/56/212036456.db2.gz DFBPVYUOVKMHBY-UHFFFAOYSA-N 0 3 326.444 3.221 40 0 EGABHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2ccccn2)CC1 ZINC000078553364 217075300 /nfs/dbraw/zinc/07/53/00/217075300.db2.gz RREDJWFVTHHMPD-INIZCTEOSA-N 0 3 342.462 3.213 40 0 EGABHN C[C@H](NCc1cccc(O)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000078553333 217074921 /nfs/dbraw/zinc/07/49/21/217074921.db2.gz PVNPNLNGIDTPIW-HNNXBMFYSA-N 0 3 343.446 3.134 40 0 EGABHN CSc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1 ZINC000110674548 220054917 /nfs/dbraw/zinc/05/49/17/220054917.db2.gz ZAJALAGMSRMVLZ-GRDNDAEWSA-N 0 3 335.517 3.451 40 0 EGABHN CN(C)CCN(C)C(=O)Cc1csc(-c2cccc(Cl)c2)n1 ZINC000012325490 211349793 /nfs/dbraw/zinc/34/97/93/211349793.db2.gz OLHIGLJBWYAQCH-UHFFFAOYSA-N 0 3 337.876 3.026 40 0 EGABHN CN(C)C[C@H]1CSCCCN1C(=O)Nc1cccc(Cl)c1 ZINC000090608915 217943831 /nfs/dbraw/zinc/94/38/31/217943831.db2.gz BKUDKPUDZYGYRP-AWEZNQCLSA-N 0 3 327.881 3.241 40 0 EGABHN C[C@H](N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cnn(C)c1 ZINC000095422515 218365489 /nfs/dbraw/zinc/36/54/89/218365489.db2.gz VSVUQQDORHKRLJ-WFASDCNBSA-N 0 3 338.377 3.368 40 0 EGABHN CCN(CC)CCOC(=O)[C@@H](c1ccccc1)[C@H](O)[C@H]1CC=CCC1 ZINC000005572708 210492228 /nfs/dbraw/zinc/49/22/28/210492228.db2.gz HRCOKXUTLNEIOQ-SLFFLAALSA-N 0 3 345.483 3.372 40 0 EGABHN CC(C)C(=O)N1CCCc2cc([C@@H](O)CN3CCC(C)CC3)ccc21 ZINC000012291376 135693833 /nfs/dbraw/zinc/69/38/33/135693833.db2.gz XOKPAXGBPNNSFB-FQEVSTJZSA-N 0 3 344.499 3.387 40 0 EGABHN CS[C@@H]1CC[C@@H](N(C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000195531803 278146771 /nfs/dbraw/zinc/14/67/71/278146771.db2.gz PQZVUHZHPRKMHH-JHJVBQTASA-N 0 3 338.439 3.003 40 0 EGABHN CC[C@@H](NCCc1cc(Cl)c2c(c1)OCCO2)c1nccn1C ZINC000096491606 280188195 /nfs/dbraw/zinc/18/81/95/280188195.db2.gz IGKWSWXUISRLQX-CQSZACIVSA-N 0 3 335.835 3.128 40 0 EGABHN Cn1cc(C[C@@H]2CCN(Cc3c(C4CC4)nc4sccn34)C2)cn1 ZINC000097230917 323215119 /nfs/dbraw/zinc/21/51/19/323215119.db2.gz IPSZZWAWAUJVDK-ZDUSSCGKSA-N 0 3 341.484 3.071 40 0 EGABHN Cc1cc(C)c(OC[C@@H](O)CN2CCc3ccccc3C2)c(C)c1 ZINC000006500578 452948198 /nfs/dbraw/zinc/94/81/98/452948198.db2.gz BWKFDNLKEHZJFX-FQEVSTJZSA-N 0 3 325.452 3.410 40 0 EGABHN CCOc1cc(CNC[C@@H]2CCCO2)cc(Br)c1OC ZINC000008253614 453182657 /nfs/dbraw/zinc/18/26/57/453182657.db2.gz QQCALNZJMHQPSX-LBPRGKRZSA-N 0 3 344.249 3.125 40 0 EGABHN CC(=O)N1CCCc2cc([C@H](O)CN3CCCC(C)(C)C3)ccc21 ZINC000012291251 453354205 /nfs/dbraw/zinc/35/42/05/453354205.db2.gz MHAIGNNTCKOVOB-LJQANCHMSA-N 0 3 330.472 3.141 40 0 EGABHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCc2ccccc21 ZINC000013002412 453435512 /nfs/dbraw/zinc/43/55/12/453435512.db2.gz BEYLGMVMKIKXMS-PZJWPPBQSA-N 0 3 334.463 3.497 40 0 EGABHN O=C(NCCN1CCCCC1)c1ccccc1OCc1ccccc1 ZINC000013687453 453480339 /nfs/dbraw/zinc/48/03/39/453480339.db2.gz WYUVDIAFFTXGHC-UHFFFAOYSA-N 0 3 338.451 3.481 40 0 EGABHN C/C(=C\c1ccccc1)CN1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019014427 453653092 /nfs/dbraw/zinc/65/30/92/453653092.db2.gz NMCPAYHOYOUTND-ZRNYNZGJSA-N 0 3 334.467 3.363 40 0 EGABHN C/C(=C\c1ccccc1)CN1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019014425 453653217 /nfs/dbraw/zinc/65/32/17/453653217.db2.gz NMCPAYHOYOUTND-GRFAERAESA-N 0 3 334.467 3.363 40 0 EGABHN Cc1ccc(CN2CCC[C@@]3(C2)CNC(=O)c2ccccc2O3)cc1 ZINC000019210228 453655288 /nfs/dbraw/zinc/65/52/88/453655288.db2.gz BAQGOMLNFKFLGJ-NRFANRHFSA-N 0 3 336.435 3.152 40 0 EGABHN c1ccc(CN2CC[C@@H](N3CCN(Cc4ccccc4)CC3)C2)cc1 ZINC000022462538 453692883 /nfs/dbraw/zinc/69/28/83/453692883.db2.gz VHHKQPAMKPAGAC-JOCHJYFZSA-N 0 3 335.495 3.079 40 0 EGABHN COc1cccc(COC[C@H](O)CN2CCc3sccc3[C@@H]2C)c1 ZINC000032489808 453876269 /nfs/dbraw/zinc/87/62/69/453876269.db2.gz YYZCKVOFEQSCLK-GOEBONIOSA-N 0 3 347.480 3.254 40 0 EGABHN Cc1ccc(C)c([C@@H](O)CN2CCC(CC(=O)N(C)C(C)C)CC2)c1 ZINC000075639801 453914135 /nfs/dbraw/zinc/91/41/35/453914135.db2.gz QBHBKPMWXWKWRX-FQEVSTJZSA-N 0 3 346.515 3.306 40 0 EGABHN C[C@H]1CCCCN1CCNC(=O)c1ccc(Br)cc1 ZINC000040107539 453947462 /nfs/dbraw/zinc/94/74/62/453947462.db2.gz UKWFRUVJIVUHII-LBPRGKRZSA-N 0 3 325.250 3.053 40 0 EGABHN CN1CCC(N(Cc2ccccc2)C(=O)c2ccc3nccn3c2)CC1 ZINC000084259897 453980982 /nfs/dbraw/zinc/98/09/82/453980982.db2.gz MIROCNJPPRCDSS-UHFFFAOYSA-N 0 3 348.450 3.071 40 0 EGABHN Cc1cc(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)on1 ZINC000077512706 454116092 /nfs/dbraw/zinc/11/60/92/454116092.db2.gz GGTBXGLAINNQON-HNNXBMFYSA-N 0 3 328.416 3.111 40 0 EGABHN O=C(c1cc(F)c(F)cc1Cl)N1CCC[C@H](N2CCCC2)C1 ZINC000058920185 454244968 /nfs/dbraw/zinc/24/49/68/454244968.db2.gz GFTFACAEFSWZLY-NSHDSACASA-N 0 3 328.790 3.319 40 0 EGABHN O=C(c1cccnc1)N1CCC[C@@]2(CCN(Cc3cccs3)C2)C1 ZINC000096047034 454269588 /nfs/dbraw/zinc/26/95/88/454269588.db2.gz ZAAUWFXJWPUFIQ-IBGZPJMESA-N 0 3 341.480 3.271 40 0 EGABHN Fc1ccc(CN2CC[C@]3(C[C@@H](Nc4ncccc4F)CO3)C2)cc1 ZINC000096047644 454270481 /nfs/dbraw/zinc/27/04/81/454270481.db2.gz VFYGVLVBNRIIJU-APWZRJJASA-N 0 3 345.393 3.205 40 0 EGABHN c1ccc(CO[C@@H]2COC3(C2)CCN(Cc2cccnc2)CC3)cc1 ZINC000096047863 454270860 /nfs/dbraw/zinc/27/08/60/454270860.db2.gz JVSRZRGLIQTNRO-FQEVSTJZSA-N 0 3 338.451 3.422 40 0 EGABHN O=C(Nc1ccccc1)[C@H]1CN(Cc2ccco2)CC12CCOCC2 ZINC000096052244 454273142 /nfs/dbraw/zinc/27/31/42/454273142.db2.gz KCHAVAARKDKCRY-GOSISDBHSA-N 0 3 340.423 3.147 40 0 EGABHN Cc1ccc(CN2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)o1 ZINC000096050720 454273176 /nfs/dbraw/zinc/27/31/76/454273176.db2.gz FJKKLFHXSVYERW-LJQANCHMSA-N 0 3 328.387 3.356 40 0 EGABHN CC1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CCN3Cc3cccs3)O2)CC1 ZINC000096057535 454274162 /nfs/dbraw/zinc/27/41/62/454274162.db2.gz NTYASOQSSYYUKF-KZNAEPCWSA-N 0 3 348.512 3.129 40 0 EGABHN Fc1cccc(O[C@@H]2C[C@H]3CN(Cc4cccs4)CCN3C2)c1 ZINC000096055134 454274918 /nfs/dbraw/zinc/27/49/18/454274918.db2.gz DMCBCGNLDSUMOU-DOTOQJQBSA-N 0 3 332.444 3.225 40 0 EGABHN O=C(c1cccs1)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096053898 454275237 /nfs/dbraw/zinc/27/52/37/454275237.db2.gz VZOJFFWUIFFCIS-GJZGRUSLSA-N 0 3 330.428 3.091 40 0 EGABHN Cc1noc(C)c1CN1CC[C@H]2CN(C(=O)CC3CCCC3)C[C@H]2C1 ZINC000096081450 454280639 /nfs/dbraw/zinc/28/06/39/454280639.db2.gz QWWOYOLFDCAPQL-ZWKOTPCHSA-N 0 3 345.487 3.152 40 0 EGABHN c1coc(CN2CCC3(C[C@H](OCc4ccncc4)CO3)CC2)c1 ZINC000096106812 454284752 /nfs/dbraw/zinc/28/47/52/454284752.db2.gz FAFFUCBCSLASFJ-SFHVURJKSA-N 0 3 328.412 3.015 40 0 EGABHN CCOc1ccc(C(=O)NCCN2C[C@H](C)C[C@H](C)C2)cc1OCC ZINC000060524758 454297617 /nfs/dbraw/zinc/29/76/17/454297617.db2.gz WSMFIQVWROSOMM-IYBDPMFKSA-N 0 3 348.487 3.192 40 0 EGABHN c1c2ccccc2oc1-c1nnc2sc(CCN3CCCC3)nn21 ZINC000096194079 454301771 /nfs/dbraw/zinc/30/17/71/454301771.db2.gz QSAWYZIUKOAYLS-UHFFFAOYSA-N 0 3 339.424 3.237 40 0 EGABHN O=C(CC1CC1)N[C@@H]1COCCC12CCN(Cc1cccs1)CC2 ZINC000096209793 454305492 /nfs/dbraw/zinc/30/54/92/454305492.db2.gz XPMNOAWABJXXSQ-QGZVFWFLSA-N 0 3 348.512 3.036 40 0 EGABHN Cc1noc(C)c1CN1CC[C@]2(CC(=O)N(c3cccc(C)c3)C2)C1 ZINC000096238569 454310784 /nfs/dbraw/zinc/31/07/84/454310784.db2.gz KYCFEHOLECRECM-FQEVSTJZSA-N 0 3 339.439 3.229 40 0 EGABHN COc1ccc2cc([C@H](C)N3CCCN(C(C)=O)CC3)ccc2c1 ZINC000096443259 454351090 /nfs/dbraw/zinc/35/10/90/454351090.db2.gz OKUHUFXXVRXYKL-HNNXBMFYSA-N 0 3 326.440 3.464 40 0 EGABHN CCc1nc(C(=O)N(CC)[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c[nH]1 ZINC000096454215 454357298 /nfs/dbraw/zinc/35/72/98/454357298.db2.gz RXBKRUBEGBTBHF-DOTOQJQBSA-N 0 3 340.471 3.270 40 0 EGABHN Cc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)on1 ZINC000096483684 454366563 /nfs/dbraw/zinc/36/65/63/454366563.db2.gz JCZNHWJPYDQWQY-YIONKMFJSA-N 0 3 335.448 3.345 40 0 EGABHN O=C(Nc1ccccc1)N1C[C@H]2CN(CCCc3ccccc3)[C@@H]2C1 ZINC000107798599 454773277 /nfs/dbraw/zinc/77/32/77/454773277.db2.gz ODAWGHBAUACBMA-UYAOXDASSA-N 0 3 335.451 3.467 40 0 EGABHN CCOc1ccc(N2C(=O)C[C@H](N[C@@H]3CCC[C@H](C)[C@H]3C)C2=O)cc1 ZINC000245380255 455282608 /nfs/dbraw/zinc/28/26/08/455282608.db2.gz UYNYFZVAQXLIGE-JFTQMJAMSA-N 0 3 344.455 3.132 40 0 EGABHN CCOc1ccc(N2C(=O)C[C@H](N[C@@H]3CCC[C@@H](C)[C@H]3C)C2=O)cc1 ZINC000245380254 455282709 /nfs/dbraw/zinc/28/27/09/455282709.db2.gz UYNYFZVAQXLIGE-DTDBQYNISA-N 0 3 344.455 3.132 40 0 EGABHN C[C@H](CN[C@H]1CCCC[C@H]1S(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000252486309 455810539 /nfs/dbraw/zinc/81/05/39/455810539.db2.gz IDJKISDLUCAMFQ-XFBWCDHKSA-N 0 3 331.428 3.014 40 0 EGABHN CO[C@H](CN1CCC[C@H](CNC(=O)C(C)(C)C)C1)c1ccccc1 ZINC000252488335 455811106 /nfs/dbraw/zinc/81/11/06/455811106.db2.gz IPIYFOPSGGSSEO-SJLPKXTDSA-N 0 3 332.488 3.248 40 0 EGABHN Cc1nc(C(=O)N2CCCCCCC2)cc(C2CCN(C)CC2)n1 ZINC000257303845 455886390 /nfs/dbraw/zinc/88/63/90/455886390.db2.gz SIYWNNPASQTDEC-UHFFFAOYSA-N 0 3 330.476 3.001 40 0 EGABHN Cc1cccc(Nc2cc(C3CCN([C@@H]4CCOC4)CC3)ccn2)n1 ZINC000257335298 455894755 /nfs/dbraw/zinc/89/47/55/455894755.db2.gz YJOGKYPNUAXHLH-GOSISDBHSA-N 0 3 338.455 3.497 40 0 EGABHN COc1ccc(CN2CC[C@H]3COC(=O)N3c3ccccc3C2)cc1 ZINC000225481893 456086845 /nfs/dbraw/zinc/08/68/45/456086845.db2.gz XQOCNZIEXKQNFG-KRWDZBQOSA-N 0 3 338.407 3.426 40 0 biogenic,in-vitro EGABHN c1coc(CN2CCC3(Cc4ncc(-c5cccnc5)n4C3)CC2)c1 ZINC000306137179 456568288 /nfs/dbraw/zinc/56/82/88/456568288.db2.gz QNVMQMFSFRDZIF-UHFFFAOYSA-N 0 3 334.423 3.377 40 0 EGABHN c1csc(CN2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@H]3C2)n1 ZINC000306137920 456568407 /nfs/dbraw/zinc/56/84/07/456568407.db2.gz RKCBXZLMELHCHT-JKSUJKDBSA-N 0 3 336.464 3.311 40 0 EGABHN C[C@H]1CCN(C(=O)c2c[nH]c3cccnc23)CCN1Cc1ccccc1 ZINC000329891224 456956990 /nfs/dbraw/zinc/95/69/90/456956990.db2.gz HNTIHDUOHLPEBV-INIZCTEOSA-N 0 3 348.450 3.300 40 0 EGABHN COc1ccccc1CN[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585284393 459832552 /nfs/dbraw/zinc/83/25/52/459832552.db2.gz HXNUCONKCBXBRM-DFQSSKMNSA-N 0 3 345.414 3.285 40 0 EGABHN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccccc1C1CC1 ZINC000584908321 548099284 /nfs/dbraw/zinc/09/92/84/548099284.db2.gz PVOUSNNXZFYMJV-CQSZACIVSA-N 0 3 344.480 3.404 40 0 EGABHN